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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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/seq4-d39987ee/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 271 residues 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 271 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: 1360 n_atoms_counter: 1360 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 271.000000 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: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -3066.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.694128 (E_RNA) where: Base-Base interactions energy: -2152.806 where: short stacking energy: -935.386 Base-Backbone interact. energy: 17.281 local terms energy: -931.169933 where: bonds (distance) C4'-P energy: -129.003 bonds (distance) P-C4' energy: -219.228 flat angles C4'-P-C4' energy: -179.424 flat angles P-C4'-P energy: -138.031 tors. eta vs tors. theta energy: -265.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -3067.778052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.778052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.778052 (E_RNA) where: Base-Base interactions energy: -2145.883 where: short stacking energy: -933.804 Base-Backbone interact. energy: 17.282 local terms energy: -939.177597 where: bonds (distance) C4'-P energy: -133.880 bonds (distance) P-C4' energy: -220.612 flat angles C4'-P-C4' energy: -180.570 flat angles P-C4'-P energy: -138.993 tors. eta vs tors. theta energy: -265.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -3065.951151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.951151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.951151 (E_RNA) where: Base-Base interactions energy: -2146.770 where: short stacking energy: -934.417 Base-Backbone interact. energy: 17.282 local terms energy: -936.463590 where: bonds (distance) C4'-P energy: -134.145 bonds (distance) P-C4' energy: -219.912 flat angles C4'-P-C4' energy: -179.406 flat angles P-C4'-P energy: -137.701 tors. eta vs tors. theta energy: -265.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -3066.255419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.255419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.255419 (E_RNA) where: Base-Base interactions energy: -2146.939 where: short stacking energy: -934.036 Base-Backbone interact. energy: 17.282 local terms energy: -936.598564 where: bonds (distance) C4'-P energy: -134.145 bonds (distance) P-C4' energy: -219.912 flat angles C4'-P-C4' energy: -179.406 flat angles P-C4'-P energy: -137.836 tors. eta vs tors. theta energy: -265.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -3066.914855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.914855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.914855 (E_RNA) where: Base-Base interactions energy: -2149.051 where: short stacking energy: -935.679 Base-Backbone interact. energy: 17.282 local terms energy: -935.145781 where: bonds (distance) C4'-P energy: -132.762 bonds (distance) P-C4' energy: -219.912 flat angles C4'-P-C4' energy: -179.088 flat angles P-C4'-P energy: -137.852 tors. eta vs tors. theta energy: -265.532 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -3066.558724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.558724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.558724 (E_RNA) where: Base-Base interactions energy: -2148.695 where: short stacking energy: -935.684 Base-Backbone interact. energy: 17.282 local terms energy: -935.145781 where: bonds (distance) C4'-P energy: -132.762 bonds (distance) P-C4' energy: -219.912 flat angles C4'-P-C4' energy: -179.088 flat angles P-C4'-P energy: -137.852 tors. eta vs tors. theta energy: -265.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -3067.948580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.948580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.948580 (E_RNA) where: Base-Base interactions energy: -2152.012 where: short stacking energy: -935.358 Base-Backbone interact. energy: 17.282 local terms energy: -933.218416 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -219.912 flat angles C4'-P-C4' energy: -178.840 flat angles P-C4'-P energy: -138.165 tors. eta vs tors. theta energy: -265.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -3067.934920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.934920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.934920 (E_RNA) where: Base-Base interactions energy: -2152.018 where: short stacking energy: -935.363 Base-Backbone interact. energy: 17.282 local terms energy: -933.199378 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -219.912 flat angles C4'-P-C4' energy: -178.821 flat angles P-C4'-P energy: -138.165 tors. eta vs tors. theta energy: -265.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -3067.940252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.940252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.940252 (E_RNA) where: Base-Base interactions energy: -2152.023 where: short stacking energy: -935.368 Base-Backbone interact. energy: 17.282 local terms energy: -933.199378 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -219.912 flat angles C4'-P-C4' energy: -178.821 flat angles P-C4'-P energy: -138.165 tors. eta vs tors. theta energy: -265.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -3067.802819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.802819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.802819 (E_RNA) where: Base-Base interactions energy: -2152.028 where: short stacking energy: -935.374 Base-Backbone interact. energy: 17.282 local terms energy: -933.056658 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -219.912 flat angles C4'-P-C4' energy: -178.821 flat angles P-C4'-P energy: -138.022 tors. eta vs tors. theta energy: -265.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -3067.797414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.797414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.797414 (E_RNA) where: Base-Base interactions energy: -2152.034 where: short stacking energy: -935.379 Base-Backbone interact. energy: 17.282 local terms energy: -933.046006 where: bonds (distance) C4'-P energy: -130.825 bonds (distance) P-C4' energy: -219.912 flat angles C4'-P-C4' energy: -178.821 flat angles P-C4'-P energy: -138.022 tors. eta vs tors. theta energy: -265.467 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -3052.113148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.113148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.113148 (E_RNA) where: Base-Base interactions energy: -2134.372 where: short stacking energy: -929.946 Base-Backbone interact. energy: 5.297 local terms energy: -923.037880 where: bonds (distance) C4'-P energy: -156.131 bonds (distance) P-C4' energy: -161.696 flat angles C4'-P-C4' energy: -196.431 flat angles P-C4'-P energy: -138.693 tors. eta vs tors. theta energy: -270.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -2964.408508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.408508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.408508 (E_RNA) where: Base-Base interactions energy: -2038.854 where: short stacking energy: -880.099 Base-Backbone interact. energy: -3.170 local terms energy: -922.384510 where: bonds (distance) C4'-P energy: -172.625 bonds (distance) P-C4' energy: -169.473 flat angles C4'-P-C4' energy: -187.374 flat angles P-C4'-P energy: -125.480 tors. eta vs tors. theta energy: -267.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -2896.850720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.850720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.850720 (E_RNA) where: Base-Base interactions energy: -2006.382 where: short stacking energy: -864.791 Base-Backbone interact. energy: 4.861 local terms energy: -895.329952 where: bonds (distance) C4'-P energy: -170.064 bonds (distance) P-C4' energy: -154.888 flat angles C4'-P-C4' energy: -191.583 flat angles P-C4'-P energy: -111.072 tors. eta vs tors. theta energy: -267.723 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -2903.074933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.074933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.074933 (E_RNA) where: Base-Base interactions energy: -1998.795 where: short stacking energy: -898.074 Base-Backbone interact. energy: 1.917 local terms energy: -906.196999 where: bonds (distance) C4'-P energy: -156.348 bonds (distance) P-C4' energy: -173.938 flat angles C4'-P-C4' energy: -186.421 flat angles P-C4'-P energy: -125.899 tors. eta vs tors. theta energy: -263.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -2682.100751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.100751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.100751 (E_RNA) where: Base-Base interactions energy: -1860.650 where: short stacking energy: -836.878 Base-Backbone interact. energy: -1.069 local terms energy: -820.382142 where: bonds (distance) C4'-P energy: -144.935 bonds (distance) P-C4' energy: -141.682 flat angles C4'-P-C4' energy: -188.196 flat angles P-C4'-P energy: -100.938 tors. eta vs tors. theta energy: -244.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -2623.438578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.438578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.438578 (E_RNA) where: Base-Base interactions energy: -1818.203 where: short stacking energy: -800.876 Base-Backbone interact. energy: 3.890 local terms energy: -809.125620 where: bonds (distance) C4'-P energy: -120.738 bonds (distance) P-C4' energy: -151.593 flat angles C4'-P-C4' energy: -174.829 flat angles P-C4'-P energy: -121.298 tors. eta vs tors. theta energy: -240.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -2495.234155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.234155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.234155 (E_RNA) where: Base-Base interactions energy: -1729.631 where: short stacking energy: -772.401 Base-Backbone interact. energy: -2.295 local terms energy: -763.307573 where: bonds (distance) C4'-P energy: -127.102 bonds (distance) P-C4' energy: -139.556 flat angles C4'-P-C4' energy: -175.716 flat angles P-C4'-P energy: -103.720 tors. eta vs tors. theta energy: -217.213 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: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -2310.070643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.070643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.070643 (E_RNA) where: Base-Base interactions energy: -1614.218 where: short stacking energy: -725.547 Base-Backbone interact. energy: -2.269 local terms energy: -693.584152 where: bonds (distance) C4'-P energy: -129.342 bonds (distance) P-C4' energy: -118.630 flat angles C4'-P-C4' energy: -160.904 flat angles P-C4'-P energy: -93.135 tors. eta vs tors. theta energy: -191.573 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: 3 Temperature: 1.300000 Total energy: -2251.823043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.823043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.823043 (E_RNA) where: Base-Base interactions energy: -1526.833 where: short stacking energy: -661.099 Base-Backbone interact. energy: -0.940 local terms energy: -724.049820 where: bonds (distance) C4'-P energy: -145.290 bonds (distance) P-C4' energy: -139.958 flat angles C4'-P-C4' energy: -146.384 flat angles P-C4'-P energy: -98.629 tors. eta vs tors. theta energy: -193.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -1917.670310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.670310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.670310 (E_RNA) where: Base-Base interactions energy: -1290.457 where: short stacking energy: -567.990 Base-Backbone interact. energy: -4.282 local terms energy: -622.931233 where: bonds (distance) C4'-P energy: -155.471 bonds (distance) P-C4' energy: -129.112 flat angles C4'-P-C4' energy: -128.487 flat angles P-C4'-P energy: -64.368 tors. eta vs tors. theta energy: -145.494 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -3073.841646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.841646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.841646 (E_RNA) where: Base-Base interactions energy: -2132.748 where: short stacking energy: -925.648 Base-Backbone interact. energy: 3.193 local terms energy: -944.286247 where: bonds (distance) C4'-P energy: -166.005 bonds (distance) P-C4' energy: -164.781 flat angles C4'-P-C4' energy: -193.514 flat angles P-C4'-P energy: -131.527 tors. eta vs tors. theta energy: -288.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -2944.733936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.733936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.733936 (E_RNA) where: Base-Base interactions energy: -2046.510 where: short stacking energy: -918.955 Base-Backbone interact. energy: 0.458 local terms energy: -898.682200 where: bonds (distance) C4'-P energy: -139.113 bonds (distance) P-C4' energy: -159.422 flat angles C4'-P-C4' energy: -186.878 flat angles P-C4'-P energy: -138.744 tors. eta vs tors. theta energy: -274.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -2914.275722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.275722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.275722 (E_RNA) where: Base-Base interactions energy: -2038.246 where: short stacking energy: -870.768 Base-Backbone interact. energy: -3.500 local terms energy: -872.529079 where: bonds (distance) C4'-P energy: -135.677 bonds (distance) P-C4' energy: -161.780 flat angles C4'-P-C4' energy: -175.719 flat angles P-C4'-P energy: -133.252 tors. eta vs tors. theta energy: -266.100 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -2804.391816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.391816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.391816 (E_RNA) where: Base-Base interactions energy: -1955.123 where: short stacking energy: -874.046 Base-Backbone interact. energy: 2.365 local terms energy: -851.633566 where: bonds (distance) C4'-P energy: -134.772 bonds (distance) P-C4' energy: -156.746 flat angles C4'-P-C4' energy: -193.636 flat angles P-C4'-P energy: -113.144 tors. eta vs tors. theta energy: -253.335 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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -2663.610154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.610154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.610154 (E_RNA) where: Base-Base interactions energy: -1838.317 where: short stacking energy: -829.107 Base-Backbone interact. energy: -2.476 local terms energy: -822.816557 where: bonds (distance) C4'-P energy: -145.200 bonds (distance) P-C4' energy: -151.501 flat angles C4'-P-C4' energy: -173.264 flat angles P-C4'-P energy: -109.008 tors. eta vs tors. theta energy: -243.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -2589.464558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.464558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.464558 (E_RNA) where: Base-Base interactions energy: -1773.295 where: short stacking energy: -758.894 Base-Backbone interact. energy: -1.669 local terms energy: -814.500202 where: bonds (distance) C4'-P energy: -138.779 bonds (distance) P-C4' energy: -161.506 flat angles C4'-P-C4' energy: -174.954 flat angles P-C4'-P energy: -104.276 tors. eta vs tors. theta energy: -234.984 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -2450.992566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.992566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.992566 (E_RNA) where: Base-Base interactions energy: -1668.118 where: short stacking energy: -738.678 Base-Backbone interact. energy: -0.481 local terms energy: -782.393514 where: bonds (distance) C4'-P energy: -136.212 bonds (distance) P-C4' energy: -161.947 flat angles C4'-P-C4' energy: -164.267 flat angles P-C4'-P energy: -115.529 tors. eta vs tors. theta energy: -204.439 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: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -2341.346687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.346687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.346687 (E_RNA) where: Base-Base interactions energy: -1608.995 where: short stacking energy: -733.931 Base-Backbone interact. energy: -0.924 local terms energy: -731.427018 where: bonds (distance) C4'-P energy: -110.217 bonds (distance) P-C4' energy: -143.231 flat angles C4'-P-C4' energy: -161.152 flat angles P-C4'-P energy: -109.747 tors. eta vs tors. theta energy: -207.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -2224.533834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.533834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.533834 (E_RNA) where: Base-Base interactions energy: -1515.594 where: short stacking energy: -646.553 Base-Backbone interact. energy: -3.657 local terms energy: -705.282184 where: bonds (distance) C4'-P energy: -143.287 bonds (distance) P-C4' energy: -133.189 flat angles C4'-P-C4' energy: -159.063 flat angles P-C4'-P energy: -88.084 tors. eta vs tors. theta energy: -181.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -1820.532633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.532633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.532633 (E_RNA) where: Base-Base interactions energy: -1204.737 where: short stacking energy: -562.335 Base-Backbone interact. energy: 3.810 local terms energy: -619.605344 where: bonds (distance) C4'-P energy: -127.098 bonds (distance) P-C4' energy: -119.615 flat angles C4'-P-C4' energy: -143.666 flat angles P-C4'-P energy: -78.251 tors. eta vs tors. theta energy: -150.975 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: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -3066.294177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.294177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.294177 (E_RNA) where: Base-Base interactions energy: -2135.260 where: short stacking energy: -925.640 Base-Backbone interact. energy: 5.459 local terms energy: -936.492518 where: bonds (distance) C4'-P energy: -163.844 bonds (distance) P-C4' energy: -178.856 flat angles C4'-P-C4' energy: -200.985 flat angles P-C4'-P energy: -127.586 tors. eta vs tors. theta energy: -265.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -2985.004091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.004091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.004091 (E_RNA) where: Base-Base interactions energy: -2086.151 where: short stacking energy: -899.364 Base-Backbone interact. energy: -1.677 local terms energy: -897.175637 where: bonds (distance) C4'-P energy: -146.313 bonds (distance) P-C4' energy: -161.779 flat angles C4'-P-C4' energy: -190.854 flat angles P-C4'-P energy: -129.609 tors. eta vs tors. theta energy: -268.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -2909.500962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.500962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.500962 (E_RNA) where: Base-Base interactions energy: -2012.629 where: short stacking energy: -921.347 Base-Backbone interact. energy: 0.334 local terms energy: -897.206142 where: bonds (distance) C4'-P energy: -146.281 bonds (distance) P-C4' energy: -160.522 flat angles C4'-P-C4' energy: -189.436 flat angles P-C4'-P energy: -131.663 tors. eta vs tors. theta energy: -269.304 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: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -2811.994922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.994922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.994922 (E_RNA) where: Base-Base interactions energy: -1929.634 where: short stacking energy: -833.900 Base-Backbone interact. energy: 0.458 local terms energy: -882.819115 where: bonds (distance) C4'-P energy: -147.990 bonds (distance) P-C4' energy: -164.162 flat angles C4'-P-C4' energy: -180.609 flat angles P-C4'-P energy: -130.917 tors. eta vs tors. theta energy: -259.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -2742.417735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.417735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.417735 (E_RNA) where: Base-Base interactions energy: -1906.237 where: short stacking energy: -822.785 Base-Backbone interact. energy: -3.450 local terms energy: -832.731139 where: bonds (distance) C4'-P energy: -145.442 bonds (distance) P-C4' energy: -158.275 flat angles C4'-P-C4' energy: -185.530 flat angles P-C4'-P energy: -109.429 tors. eta vs tors. theta energy: -234.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -2599.523240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.523240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.523240 (E_RNA) where: Base-Base interactions energy: -1804.473 where: short stacking energy: -780.971 Base-Backbone interact. energy: -4.131 local terms energy: -790.919948 where: bonds (distance) C4'-P energy: -136.076 bonds (distance) P-C4' energy: -155.603 flat angles C4'-P-C4' energy: -181.395 flat angles P-C4'-P energy: -102.254 tors. eta vs tors. theta energy: -215.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -2454.234123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.234123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.234123 (E_RNA) where: Base-Base interactions energy: -1709.341 where: short stacking energy: -732.037 Base-Backbone interact. energy: -3.546 local terms energy: -741.346832 where: bonds (distance) C4'-P energy: -124.137 bonds (distance) P-C4' energy: -147.032 flat angles C4'-P-C4' energy: -169.538 flat angles P-C4'-P energy: -90.847 tors. eta vs tors. theta energy: -209.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -2335.050140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.050140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.050140 (E_RNA) where: Base-Base interactions energy: -1626.660 where: short stacking energy: -722.698 Base-Backbone interact. energy: 5.665 local terms energy: -714.055416 where: bonds (distance) C4'-P energy: -150.813 bonds (distance) P-C4' energy: -100.146 flat angles C4'-P-C4' energy: -158.728 flat angles P-C4'-P energy: -89.671 tors. eta vs tors. theta energy: -214.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -2065.022560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.022560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.022560 (E_RNA) where: Base-Base interactions energy: -1431.660 where: short stacking energy: -637.615 Base-Backbone interact. energy: -2.428 local terms energy: -630.934004 where: bonds (distance) C4'-P energy: -99.346 bonds (distance) P-C4' energy: -147.983 flat angles C4'-P-C4' energy: -142.167 flat angles P-C4'-P energy: -90.020 tors. eta vs tors. theta energy: -151.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -1697.725936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.725936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.725936 (E_RNA) where: Base-Base interactions energy: -1106.461 where: short stacking energy: -490.192 Base-Backbone interact. energy: 2.082 local terms energy: -593.347071 where: bonds (distance) C4'-P energy: -120.549 bonds (distance) P-C4' energy: -149.374 flat angles C4'-P-C4' energy: -138.930 flat angles P-C4'-P energy: -83.049 tors. eta vs tors. theta energy: -101.445 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -3077.596652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.596652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.596652 (E_RNA) where: Base-Base interactions energy: -2131.510 where: short stacking energy: -921.956 Base-Backbone interact. energy: -3.063 local terms energy: -943.023630 where: bonds (distance) C4'-P energy: -154.423 bonds (distance) P-C4' energy: -175.349 flat angles C4'-P-C4' energy: -201.444 flat angles P-C4'-P energy: -140.207 tors. eta vs tors. theta energy: -271.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -2954.686044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.686044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.686044 (E_RNA) where: Base-Base interactions energy: -2044.078 where: short stacking energy: -898.024 Base-Backbone interact. energy: 2.762 local terms energy: -913.370472 where: bonds (distance) C4'-P energy: -169.003 bonds (distance) P-C4' energy: -154.501 flat angles C4'-P-C4' energy: -198.371 flat angles P-C4'-P energy: -127.829 tors. eta vs tors. theta energy: -263.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -2889.626526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.626526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.626526 (E_RNA) where: Base-Base interactions energy: -2020.962 where: short stacking energy: -896.264 Base-Backbone interact. energy: -3.316 local terms energy: -865.348509 where: bonds (distance) C4'-P energy: -152.812 bonds (distance) P-C4' energy: -169.112 flat angles C4'-P-C4' energy: -168.126 flat angles P-C4'-P energy: -110.472 tors. eta vs tors. theta energy: -264.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -2808.415078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.415078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.415078 (E_RNA) where: Base-Base interactions energy: -1948.897 where: short stacking energy: -863.320 Base-Backbone interact. energy: -1.121 local terms energy: -858.396228 where: bonds (distance) C4'-P energy: -156.594 bonds (distance) P-C4' energy: -145.234 flat angles C4'-P-C4' energy: -186.306 flat angles P-C4'-P energy: -123.051 tors. eta vs tors. theta energy: -247.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -2693.265832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.265832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.265832 (E_RNA) where: Base-Base interactions energy: -1840.556 where: short stacking energy: -799.130 Base-Backbone interact. energy: -2.190 local terms energy: -850.519559 where: bonds (distance) C4'-P energy: -150.772 bonds (distance) P-C4' energy: -174.446 flat angles C4'-P-C4' energy: -170.064 flat angles P-C4'-P energy: -118.783 tors. eta vs tors. theta energy: -236.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -2611.723768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.723768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.723768 (E_RNA) where: Base-Base interactions energy: -1823.265 where: short stacking energy: -780.815 Base-Backbone interact. energy: -0.251 local terms energy: -788.207873 where: bonds (distance) C4'-P energy: -152.762 bonds (distance) P-C4' energy: -128.435 flat angles C4'-P-C4' energy: -174.503 flat angles P-C4'-P energy: -114.916 tors. eta vs tors. theta energy: -217.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -2448.499268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.499268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.499268 (E_RNA) where: Base-Base interactions energy: -1680.620 where: short stacking energy: -708.019 Base-Backbone interact. energy: -3.721 local terms energy: -764.158548 where: bonds (distance) C4'-P energy: -128.012 bonds (distance) P-C4' energy: -141.323 flat angles C4'-P-C4' energy: -176.398 flat angles P-C4'-P energy: -105.281 tors. eta vs tors. theta energy: -213.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -2217.241848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.241848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.241848 (E_RNA) where: Base-Base interactions energy: -1492.662 where: short stacking energy: -634.078 Base-Backbone interact. energy: -1.622 local terms energy: -722.957494 where: bonds (distance) C4'-P energy: -136.376 bonds (distance) P-C4' energy: -145.058 flat angles C4'-P-C4' energy: -161.316 flat angles P-C4'-P energy: -103.870 tors. eta vs tors. theta energy: -176.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -1975.725325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.725325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.725325 (E_RNA) where: Base-Base interactions energy: -1354.922 where: short stacking energy: -597.786 Base-Backbone interact. energy: -5.929 local terms energy: -614.873511 where: bonds (distance) C4'-P energy: -133.109 bonds (distance) P-C4' energy: -119.329 flat angles C4'-P-C4' energy: -127.678 flat angles P-C4'-P energy: -85.161 tors. eta vs tors. theta energy: -149.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -1553.305387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.305387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.305387 (E_RNA) where: Base-Base interactions energy: -997.016 where: short stacking energy: -448.816 Base-Backbone interact. energy: 4.295 local terms energy: -560.584123 where: bonds (distance) C4'-P energy: -124.509 bonds (distance) P-C4' energy: -135.067 flat angles C4'-P-C4' energy: -123.289 flat angles P-C4'-P energy: -80.333 tors. eta vs tors. theta energy: -97.386 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -3077.188190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.188190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.188190 (E_RNA) where: Base-Base interactions energy: -2134.954 where: short stacking energy: -951.158 Base-Backbone interact. energy: -2.049 local terms energy: -940.184310 where: bonds (distance) C4'-P energy: -155.687 bonds (distance) P-C4' energy: -180.551 flat angles C4'-P-C4' energy: -198.256 flat angles P-C4'-P energy: -133.720 tors. eta vs tors. theta energy: -271.969 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: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -2969.848701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.848701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.848701 (E_RNA) where: Base-Base interactions energy: -2056.089 where: short stacking energy: -914.611 Base-Backbone interact. energy: -1.598 local terms energy: -912.161249 where: bonds (distance) C4'-P energy: -172.831 bonds (distance) P-C4' energy: -169.541 flat angles C4'-P-C4' energy: -183.364 flat angles P-C4'-P energy: -119.446 tors. eta vs tors. theta energy: -266.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -2908.402573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.402573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.402573 (E_RNA) where: Base-Base interactions energy: -2004.660 where: short stacking energy: -879.440 Base-Backbone interact. energy: -3.292 local terms energy: -900.450660 where: bonds (distance) C4'-P energy: -162.904 bonds (distance) P-C4' energy: -170.051 flat angles C4'-P-C4' energy: -188.576 flat angles P-C4'-P energy: -121.222 tors. eta vs tors. theta energy: -257.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -2800.373826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.373826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.373826 (E_RNA) where: Base-Base interactions energy: -1948.070 where: short stacking energy: -864.086 Base-Backbone interact. energy: -5.777 local terms energy: -846.526472 where: bonds (distance) C4'-P energy: -136.804 bonds (distance) P-C4' energy: -161.933 flat angles C4'-P-C4' energy: -171.978 flat angles P-C4'-P energy: -123.166 tors. eta vs tors. theta energy: -252.645 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: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -2688.715500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.715500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.715500 (E_RNA) where: Base-Base interactions energy: -1846.658 where: short stacking energy: -787.179 Base-Backbone interact. energy: 0.927 local terms energy: -842.985259 where: bonds (distance) C4'-P energy: -165.186 bonds (distance) P-C4' energy: -135.141 flat angles C4'-P-C4' energy: -178.911 flat angles P-C4'-P energy: -121.302 tors. eta vs tors. theta energy: -242.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -2590.941458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.941458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.941458 (E_RNA) where: Base-Base interactions energy: -1795.683 where: short stacking energy: -783.244 Base-Backbone interact. energy: 1.617 local terms energy: -796.875362 where: bonds (distance) C4'-P energy: -151.242 bonds (distance) P-C4' energy: -163.200 flat angles C4'-P-C4' energy: -164.271 flat angles P-C4'-P energy: -101.538 tors. eta vs tors. theta energy: -216.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -2416.030078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.030078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.030078 (E_RNA) where: Base-Base interactions energy: -1670.869 where: short stacking energy: -729.957 Base-Backbone interact. energy: -0.252 local terms energy: -744.908464 where: bonds (distance) C4'-P energy: -141.838 bonds (distance) P-C4' energy: -140.125 flat angles C4'-P-C4' energy: -167.636 flat angles P-C4'-P energy: -93.373 tors. eta vs tors. theta energy: -201.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -2205.174824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.174824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.174824 (E_RNA) where: Base-Base interactions energy: -1496.326 where: short stacking energy: -655.622 Base-Backbone interact. energy: -1.759 local terms energy: -707.089698 where: bonds (distance) C4'-P energy: -135.083 bonds (distance) P-C4' energy: -128.310 flat angles C4'-P-C4' energy: -164.208 flat angles P-C4'-P energy: -106.442 tors. eta vs tors. theta energy: -173.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -1841.588651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.588651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.588651 (E_RNA) where: Base-Base interactions energy: -1207.640 where: short stacking energy: -526.561 Base-Backbone interact. energy: -4.297 local terms energy: -629.650703 where: bonds (distance) C4'-P energy: -128.547 bonds (distance) P-C4' energy: -151.124 flat angles C4'-P-C4' energy: -140.051 flat angles P-C4'-P energy: -85.227 tors. eta vs tors. theta energy: -124.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -1502.322740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.322740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.322740 (E_RNA) where: Base-Base interactions energy: -930.652 where: short stacking energy: -429.993 Base-Backbone interact. energy: 1.333 local terms energy: -573.003596 where: bonds (distance) C4'-P energy: -133.289 bonds (distance) P-C4' energy: -115.776 flat angles C4'-P-C4' energy: -142.382 flat angles P-C4'-P energy: -83.713 tors. eta vs tors. theta energy: -97.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -3085.995456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.995456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.995456 (E_RNA) where: Base-Base interactions energy: -2156.386 where: short stacking energy: -947.543 Base-Backbone interact. energy: -2.304 local terms energy: -927.304679 where: bonds (distance) C4'-P energy: -165.331 bonds (distance) P-C4' energy: -162.333 flat angles C4'-P-C4' energy: -195.515 flat angles P-C4'-P energy: -124.958 tors. eta vs tors. theta energy: -279.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -2987.902414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.902414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.902414 (E_RNA) where: Base-Base interactions energy: -2082.302 where: short stacking energy: -865.425 Base-Backbone interact. energy: -3.182 local terms energy: -902.419221 where: bonds (distance) C4'-P energy: -162.681 bonds (distance) P-C4' energy: -176.959 flat angles C4'-P-C4' energy: -187.531 flat angles P-C4'-P energy: -118.256 tors. eta vs tors. theta energy: -256.993 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: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -2886.892157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.892157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.892157 (E_RNA) where: Base-Base interactions energy: -1965.513 where: short stacking energy: -873.146 Base-Backbone interact. energy: -3.052 local terms energy: -918.327247 where: bonds (distance) C4'-P energy: -173.742 bonds (distance) P-C4' energy: -176.010 flat angles C4'-P-C4' energy: -184.264 flat angles P-C4'-P energy: -128.698 tors. eta vs tors. theta energy: -255.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -2839.488788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.488788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.488788 (E_RNA) where: Base-Base interactions energy: -1944.843 where: short stacking energy: -846.078 Base-Backbone interact. energy: -4.326 local terms energy: -890.320262 where: bonds (distance) C4'-P energy: -147.770 bonds (distance) P-C4' energy: -155.310 flat angles C4'-P-C4' energy: -195.906 flat angles P-C4'-P energy: -135.187 tors. eta vs tors. theta energy: -256.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -2722.536209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.536209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.536209 (E_RNA) where: Base-Base interactions energy: -1895.055 where: short stacking energy: -839.260 Base-Backbone interact. energy: -3.744 local terms energy: -823.737360 where: bonds (distance) C4'-P energy: -137.762 bonds (distance) P-C4' energy: -145.380 flat angles C4'-P-C4' energy: -175.442 flat angles P-C4'-P energy: -117.331 tors. eta vs tors. theta energy: -247.822 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: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -2591.974065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.974065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.974065 (E_RNA) where: Base-Base interactions energy: -1767.976 where: short stacking energy: -775.087 Base-Backbone interact. energy: -3.518 local terms energy: -820.479383 where: bonds (distance) C4'-P energy: -148.985 bonds (distance) P-C4' energy: -165.343 flat angles C4'-P-C4' energy: -167.270 flat angles P-C4'-P energy: -122.655 tors. eta vs tors. theta energy: -216.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -2298.703086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.703086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.703086 (E_RNA) where: Base-Base interactions energy: -1602.346 where: short stacking energy: -676.948 Base-Backbone interact. energy: 0.111 local terms energy: -696.467598 where: bonds (distance) C4'-P energy: -119.693 bonds (distance) P-C4' energy: -124.505 flat angles C4'-P-C4' energy: -147.991 flat angles P-C4'-P energy: -114.647 tors. eta vs tors. theta energy: -189.630 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: 9 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -2128.601886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.601886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.601886 (E_RNA) where: Base-Base interactions energy: -1445.829 where: short stacking energy: -627.849 Base-Backbone interact. energy: -4.684 local terms energy: -678.089022 where: bonds (distance) C4'-P energy: -130.547 bonds (distance) P-C4' energy: -149.677 flat angles C4'-P-C4' energy: -141.745 flat angles P-C4'-P energy: -94.993 tors. eta vs tors. theta energy: -161.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -2044.987918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.987918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.987918 (E_RNA) where: Base-Base interactions energy: -1376.127 where: short stacking energy: -591.690 Base-Backbone interact. energy: -0.021 local terms energy: -668.840204 where: bonds (distance) C4'-P energy: -137.664 bonds (distance) P-C4' energy: -130.278 flat angles C4'-P-C4' energy: -139.020 flat angles P-C4'-P energy: -104.646 tors. eta vs tors. theta energy: -157.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -1578.416495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.416495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.416495 (E_RNA) where: Base-Base interactions energy: -1020.009 where: short stacking energy: -438.859 Base-Backbone interact. energy: -2.515 local terms energy: -555.892553 where: bonds (distance) C4'-P energy: -134.171 bonds (distance) P-C4' energy: -131.538 flat angles C4'-P-C4' energy: -130.832 flat angles P-C4'-P energy: -72.039 tors. eta vs tors. theta energy: -87.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -3063.986282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.986282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.986282 (E_RNA) where: Base-Base interactions energy: -2130.055 where: short stacking energy: -930.129 Base-Backbone interact. energy: -3.763 local terms energy: -930.168643 where: bonds (distance) C4'-P energy: -169.054 bonds (distance) P-C4' energy: -177.118 flat angles C4'-P-C4' energy: -193.125 flat angles P-C4'-P energy: -120.602 tors. eta vs tors. theta energy: -270.270 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -3009.774845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.774845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.774845 (E_RNA) where: Base-Base interactions energy: -2047.342 where: short stacking energy: -889.775 Base-Backbone interact. energy: -4.847 local terms energy: -957.586477 where: bonds (distance) C4'-P energy: -169.519 bonds (distance) P-C4' energy: -177.471 flat angles C4'-P-C4' energy: -201.056 flat angles P-C4'-P energy: -143.865 tors. eta vs tors. theta energy: -265.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -2894.732199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.732199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.732199 (E_RNA) where: Base-Base interactions energy: -1990.321 where: short stacking energy: -859.554 Base-Backbone interact. energy: -2.591 local terms energy: -901.820465 where: bonds (distance) C4'-P energy: -154.368 bonds (distance) P-C4' energy: -160.883 flat angles C4'-P-C4' energy: -182.140 flat angles P-C4'-P energy: -136.455 tors. eta vs tors. theta energy: -267.974 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: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -2836.995471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.995471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.995471 (E_RNA) where: Base-Base interactions energy: -2010.017 where: short stacking energy: -876.323 Base-Backbone interact. energy: -0.016 local terms energy: -826.962781 where: bonds (distance) C4'-P energy: -135.222 bonds (distance) P-C4' energy: -138.715 flat angles C4'-P-C4' energy: -184.396 flat angles P-C4'-P energy: -106.677 tors. eta vs tors. theta energy: -261.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -2708.087249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.087249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.087249 (E_RNA) where: Base-Base interactions energy: -1879.680 where: short stacking energy: -822.564 Base-Backbone interact. energy: -4.666 local terms energy: -823.741211 where: bonds (distance) C4'-P energy: -138.232 bonds (distance) P-C4' energy: -150.130 flat angles C4'-P-C4' energy: -175.284 flat angles P-C4'-P energy: -117.041 tors. eta vs tors. theta energy: -243.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -2572.182835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.182835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.182835 (E_RNA) where: Base-Base interactions energy: -1804.588 where: short stacking energy: -770.309 Base-Backbone interact. energy: -4.193 local terms energy: -763.402536 where: bonds (distance) C4'-P energy: -128.381 bonds (distance) P-C4' energy: -159.845 flat angles C4'-P-C4' energy: -151.360 flat angles P-C4'-P energy: -95.107 tors. eta vs tors. theta energy: -228.710 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: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -2352.670930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.670930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.670930 (E_RNA) where: Base-Base interactions energy: -1610.410 where: short stacking energy: -706.489 Base-Backbone interact. energy: -1.785 local terms energy: -740.476098 where: bonds (distance) C4'-P energy: -105.381 bonds (distance) P-C4' energy: -158.407 flat angles C4'-P-C4' energy: -176.636 flat angles P-C4'-P energy: -108.849 tors. eta vs tors. theta energy: -191.203 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: 9 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -2122.179252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.179252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.179252 (E_RNA) where: Base-Base interactions energy: -1454.211 where: short stacking energy: -620.514 Base-Backbone interact. energy: -1.143 local terms energy: -666.825362 where: bonds (distance) C4'-P energy: -144.339 bonds (distance) P-C4' energy: -118.883 flat angles C4'-P-C4' energy: -149.361 flat angles P-C4'-P energy: -95.895 tors. eta vs tors. theta energy: -158.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -2008.087339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.087339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.087339 (E_RNA) where: Base-Base interactions energy: -1369.955 where: short stacking energy: -602.570 Base-Backbone interact. energy: 5.905 local terms energy: -644.037182 where: bonds (distance) C4'-P energy: -129.514 bonds (distance) P-C4' energy: -134.296 flat angles C4'-P-C4' energy: -152.859 flat angles P-C4'-P energy: -71.129 tors. eta vs tors. theta energy: -156.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -1574.232427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.232427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.232427 (E_RNA) where: Base-Base interactions energy: -1006.512 where: short stacking energy: -441.538 Base-Backbone interact. energy: 1.762 local terms energy: -569.481618 where: bonds (distance) C4'-P energy: -122.358 bonds (distance) P-C4' energy: -138.184 flat angles C4'-P-C4' energy: -145.081 flat angles P-C4'-P energy: -72.593 tors. eta vs tors. theta energy: -91.266 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: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -3091.903259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.903259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.903259 (E_RNA) where: Base-Base interactions energy: -2166.836 where: short stacking energy: -921.304 Base-Backbone interact. energy: -5.589 local terms energy: -919.478531 where: bonds (distance) C4'-P energy: -155.589 bonds (distance) P-C4' energy: -169.310 flat angles C4'-P-C4' energy: -188.936 flat angles P-C4'-P energy: -128.620 tors. eta vs tors. theta energy: -277.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -2973.823852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.823852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.823852 (E_RNA) where: Base-Base interactions energy: -2041.670 where: short stacking energy: -878.872 Base-Backbone interact. energy: -4.605 local terms energy: -927.548531 where: bonds (distance) C4'-P energy: -165.141 bonds (distance) P-C4' energy: -170.869 flat angles C4'-P-C4' energy: -198.409 flat angles P-C4'-P energy: -124.703 tors. eta vs tors. theta energy: -268.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -2882.339021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.339021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.339021 (E_RNA) where: Base-Base interactions energy: -2003.163 where: short stacking energy: -872.836 Base-Backbone interact. energy: -2.144 local terms energy: -877.032754 where: bonds (distance) C4'-P energy: -161.394 bonds (distance) P-C4' energy: -162.639 flat angles C4'-P-C4' energy: -188.488 flat angles P-C4'-P energy: -102.447 tors. eta vs tors. theta energy: -262.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -2845.159731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.159731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.159731 (E_RNA) where: Base-Base interactions energy: -1950.876 where: short stacking energy: -862.891 Base-Backbone interact. energy: -1.114 local terms energy: -893.169800 where: bonds (distance) C4'-P energy: -152.363 bonds (distance) P-C4' energy: -168.732 flat angles C4'-P-C4' energy: -182.745 flat angles P-C4'-P energy: -122.321 tors. eta vs tors. theta energy: -267.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -2753.114743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.114743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.114743 (E_RNA) where: Base-Base interactions energy: -1924.435 where: short stacking energy: -807.103 Base-Backbone interact. energy: -3.379 local terms energy: -825.300777 where: bonds (distance) C4'-P energy: -142.008 bonds (distance) P-C4' energy: -154.384 flat angles C4'-P-C4' energy: -177.306 flat angles P-C4'-P energy: -105.949 tors. eta vs tors. theta energy: -245.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -2585.193960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.193960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.193960 (E_RNA) where: Base-Base interactions energy: -1815.845 where: short stacking energy: -814.038 Base-Backbone interact. energy: -2.856 local terms energy: -766.492751 where: bonds (distance) C4'-P energy: -133.326 bonds (distance) P-C4' energy: -114.085 flat angles C4'-P-C4' energy: -165.040 flat angles P-C4'-P energy: -115.880 tors. eta vs tors. theta energy: -238.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -2365.929322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.929322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.929322 (E_RNA) where: Base-Base interactions energy: -1615.641 where: short stacking energy: -726.642 Base-Backbone interact. energy: 1.832 local terms energy: -752.120529 where: bonds (distance) C4'-P energy: -145.388 bonds (distance) P-C4' energy: -139.095 flat angles C4'-P-C4' energy: -166.920 flat angles P-C4'-P energy: -97.142 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: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -2123.263344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.263344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.263344 (E_RNA) where: Base-Base interactions energy: -1415.082 where: short stacking energy: -632.961 Base-Backbone interact. energy: -3.363 local terms energy: -704.818581 where: bonds (distance) C4'-P energy: -141.126 bonds (distance) P-C4' energy: -140.794 flat angles C4'-P-C4' energy: -169.942 flat angles P-C4'-P energy: -92.680 tors. eta vs tors. theta energy: -160.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -2002.103487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.103487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.103487 (E_RNA) where: Base-Base interactions energy: -1384.985 where: short stacking energy: -600.250 Base-Backbone interact. energy: 3.943 local terms energy: -621.061308 where: bonds (distance) C4'-P energy: -129.879 bonds (distance) P-C4' energy: -148.526 flat angles C4'-P-C4' energy: -131.482 flat angles P-C4'-P energy: -79.030 tors. eta vs tors. theta energy: -132.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -1569.589078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.589078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.589078 (E_RNA) where: Base-Base interactions energy: -1013.393 where: short stacking energy: -481.267 Base-Backbone interact. energy: -2.890 local terms energy: -553.306115 where: bonds (distance) C4'-P energy: -106.982 bonds (distance) P-C4' energy: -141.024 flat angles C4'-P-C4' energy: -114.879 flat angles P-C4'-P energy: -89.431 tors. eta vs tors. theta energy: -100.990 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: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -3073.936037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.936037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.936037 (E_RNA) where: Base-Base interactions energy: -2151.253 where: short stacking energy: -938.512 Base-Backbone interact. energy: -5.901 local terms energy: -916.781951 where: bonds (distance) C4'-P energy: -160.697 bonds (distance) P-C4' energy: -157.192 flat angles C4'-P-C4' energy: -202.812 flat angles P-C4'-P energy: -124.791 tors. eta vs tors. theta energy: -271.289 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: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -2999.025080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.025080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.025080 (E_RNA) where: Base-Base interactions energy: -2083.981 where: short stacking energy: -904.843 Base-Backbone interact. energy: -5.323 local terms energy: -909.722023 where: bonds (distance) C4'-P energy: -163.211 bonds (distance) P-C4' energy: -167.421 flat angles C4'-P-C4' energy: -190.586 flat angles P-C4'-P energy: -124.842 tors. eta vs tors. theta energy: -263.661 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: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -2876.191506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.191506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.191506 (E_RNA) where: Base-Base interactions energy: -1987.592 where: short stacking energy: -882.350 Base-Backbone interact. energy: -0.189 local terms energy: -888.409885 where: bonds (distance) C4'-P energy: -146.177 bonds (distance) P-C4' energy: -165.929 flat angles C4'-P-C4' energy: -193.339 flat angles P-C4'-P energy: -133.665 tors. eta vs tors. theta energy: -249.301 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: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -2828.638483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.638483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.638483 (E_RNA) where: Base-Base interactions energy: -1945.553 where: short stacking energy: -851.491 Base-Backbone interact. energy: -4.935 local terms energy: -878.149990 where: bonds (distance) C4'-P energy: -165.613 bonds (distance) P-C4' energy: -144.897 flat angles C4'-P-C4' energy: -183.631 flat angles P-C4'-P energy: -121.326 tors. eta vs tors. theta energy: -262.683 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: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -2732.430819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.430819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.430819 (E_RNA) where: Base-Base interactions energy: -1926.062 where: short stacking energy: -842.168 Base-Backbone interact. energy: -3.544 local terms energy: -802.824420 where: bonds (distance) C4'-P energy: -127.873 bonds (distance) P-C4' energy: -136.953 flat angles C4'-P-C4' energy: -170.869 flat angles P-C4'-P energy: -119.790 tors. eta vs tors. theta energy: -247.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -2531.141183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.141183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.141183 (E_RNA) where: Base-Base interactions energy: -1759.661 where: short stacking energy: -779.786 Base-Backbone interact. energy: -2.819 local terms energy: -768.661001 where: bonds (distance) C4'-P energy: -127.278 bonds (distance) P-C4' energy: -139.289 flat angles C4'-P-C4' energy: -166.176 flat angles P-C4'-P energy: -106.228 tors. eta vs tors. theta energy: -229.689 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: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -2367.444478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.444478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.444478 (E_RNA) where: Base-Base interactions energy: -1656.400 where: short stacking energy: -723.530 Base-Backbone interact. energy: -1.248 local terms energy: -709.796384 where: bonds (distance) C4'-P energy: -128.613 bonds (distance) P-C4' energy: -120.177 flat angles C4'-P-C4' energy: -162.233 flat angles P-C4'-P energy: -99.891 tors. eta vs tors. theta energy: -198.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1997.687048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.687048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.687048 (E_RNA) where: Base-Base interactions energy: -1346.621 where: short stacking energy: -591.793 Base-Backbone interact. energy: -2.104 local terms energy: -648.961575 where: bonds (distance) C4'-P energy: -123.718 bonds (distance) P-C4' energy: -133.648 flat angles C4'-P-C4' energy: -155.879 flat angles P-C4'-P energy: -86.156 tors. eta vs tors. theta energy: -149.561 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: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1885.869280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.869280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.869280 (E_RNA) where: Base-Base interactions energy: -1261.042 where: short stacking energy: -589.969 Base-Backbone interact. energy: 1.081 local terms energy: -625.908130 where: bonds (distance) C4'-P energy: -114.864 bonds (distance) P-C4' energy: -120.161 flat angles C4'-P-C4' energy: -148.653 flat angles P-C4'-P energy: -80.222 tors. eta vs tors. theta energy: -162.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -1541.553711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.553711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.553711 (E_RNA) where: Base-Base interactions energy: -1010.670 where: short stacking energy: -457.896 Base-Backbone interact. energy: 2.306 local terms energy: -533.190359 where: bonds (distance) C4'-P energy: -112.733 bonds (distance) P-C4' energy: -132.706 flat angles C4'-P-C4' energy: -133.013 flat angles P-C4'-P energy: -69.334 tors. eta vs tors. theta energy: -85.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -3044.925886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.925886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.925886 (E_RNA) where: Base-Base interactions energy: -2119.922 where: short stacking energy: -941.041 Base-Backbone interact. energy: -5.814 local terms energy: -919.189910 where: bonds (distance) C4'-P energy: -153.121 bonds (distance) P-C4' energy: -174.934 flat angles C4'-P-C4' energy: -195.803 flat angles P-C4'-P energy: -122.772 tors. eta vs tors. theta energy: -272.560 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: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -2973.347357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.347357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.347357 (E_RNA) where: Base-Base interactions energy: -2078.984 where: short stacking energy: -901.737 Base-Backbone interact. energy: -2.793 local terms energy: -891.570337 where: bonds (distance) C4'-P energy: -151.248 bonds (distance) P-C4' energy: -159.098 flat angles C4'-P-C4' energy: -185.533 flat angles P-C4'-P energy: -127.873 tors. eta vs tors. theta energy: -267.819 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: 3, replica: 2 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -2871.652012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.652012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.652012 (E_RNA) where: Base-Base interactions energy: -2005.385 where: short stacking energy: -878.107 Base-Backbone interact. energy: -2.121 local terms energy: -864.145912 where: bonds (distance) C4'-P energy: -163.059 bonds (distance) P-C4' energy: -146.494 flat angles C4'-P-C4' energy: -180.653 flat angles P-C4'-P energy: -109.195 tors. eta vs tors. theta energy: -264.745 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: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -2839.268358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.268358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.268358 (E_RNA) where: Base-Base interactions energy: -1947.706 where: short stacking energy: -873.166 Base-Backbone interact. energy: -0.595 local terms energy: -890.967095 where: bonds (distance) C4'-P energy: -148.038 bonds (distance) P-C4' energy: -166.238 flat angles C4'-P-C4' energy: -183.623 flat angles P-C4'-P energy: -129.767 tors. eta vs tors. theta energy: -263.301 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: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -2699.801699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.801699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.801699 (E_RNA) where: Base-Base interactions energy: -1890.254 where: short stacking energy: -823.719 Base-Backbone interact. energy: -2.390 local terms energy: -807.156961 where: bonds (distance) C4'-P energy: -127.505 bonds (distance) P-C4' energy: -143.795 flat angles C4'-P-C4' energy: -186.155 flat angles P-C4'-P energy: -105.245 tors. eta vs tors. theta energy: -244.457 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: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -2618.465010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.465010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.465010 (E_RNA) where: Base-Base interactions energy: -1858.488 where: short stacking energy: -808.907 Base-Backbone interact. energy: 2.860 local terms energy: -762.836851 where: bonds (distance) C4'-P energy: -126.084 bonds (distance) P-C4' energy: -139.064 flat angles C4'-P-C4' energy: -163.175 flat angles P-C4'-P energy: -98.596 tors. eta vs tors. theta energy: -235.917 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: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -2394.033134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.033134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.033134 (E_RNA) where: Base-Base interactions energy: -1638.359 where: short stacking energy: -737.222 Base-Backbone interact. energy: 7.024 local terms energy: -762.697857 where: bonds (distance) C4'-P energy: -121.284 bonds (distance) P-C4' energy: -144.898 flat angles C4'-P-C4' energy: -181.567 flat angles P-C4'-P energy: -114.775 tors. eta vs tors. theta energy: -200.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -2001.702239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.702239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.702239 (E_RNA) where: Base-Base interactions energy: -1342.313 where: short stacking energy: -607.076 Base-Backbone interact. energy: 1.892 local terms energy: -661.280892 where: bonds (distance) C4'-P energy: -111.017 bonds (distance) P-C4' energy: -138.915 flat angles C4'-P-C4' energy: -160.445 flat angles P-C4'-P energy: -107.426 tors. eta vs tors. theta energy: -143.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1941.667962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.667962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.667962 (E_RNA) where: Base-Base interactions energy: -1351.489 where: short stacking energy: -613.402 Base-Backbone interact. energy: -3.545 local terms energy: -586.634342 where: bonds (distance) C4'-P energy: -125.284 bonds (distance) P-C4' energy: -90.231 flat angles C4'-P-C4' energy: -133.222 flat angles P-C4'-P energy: -90.087 tors. eta vs tors. theta energy: -147.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -1560.753794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.753794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.753794 (E_RNA) where: Base-Base interactions energy: -1008.871 where: short stacking energy: -462.237 Base-Backbone interact. energy: 1.791 local terms energy: -553.673923 where: bonds (distance) C4'-P energy: -120.640 bonds (distance) P-C4' energy: -123.120 flat angles C4'-P-C4' energy: -141.756 flat angles P-C4'-P energy: -89.031 tors. eta vs tors. theta energy: -79.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -3059.190014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.190014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.190014 (E_RNA) where: Base-Base interactions energy: -2120.052 where: short stacking energy: -915.495 Base-Backbone interact. energy: -2.701 local terms energy: -936.437708 where: bonds (distance) C4'-P energy: -170.181 bonds (distance) P-C4' energy: -163.634 flat angles C4'-P-C4' energy: -201.120 flat angles P-C4'-P energy: -133.028 tors. eta vs tors. theta energy: -268.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -2993.517436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.517436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.517436 (E_RNA) where: Base-Base interactions energy: -2066.630 where: short stacking energy: -899.309 Base-Backbone interact. energy: 1.329 local terms energy: -928.215966 where: bonds (distance) C4'-P energy: -169.055 bonds (distance) P-C4' energy: -171.930 flat angles C4'-P-C4' energy: -196.530 flat angles P-C4'-P energy: -129.181 tors. eta vs tors. theta energy: -261.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -2916.214951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.214951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.214951 (E_RNA) where: Base-Base interactions energy: -2031.800 where: short stacking energy: -908.461 Base-Backbone interact. energy: -4.094 local terms energy: -880.320931 where: bonds (distance) C4'-P energy: -147.307 bonds (distance) P-C4' energy: -157.713 flat angles C4'-P-C4' energy: -191.931 flat angles P-C4'-P energy: -123.204 tors. eta vs tors. theta energy: -260.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -2820.582515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.582515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.582515 (E_RNA) where: Base-Base interactions energy: -1973.260 where: short stacking energy: -888.544 Base-Backbone interact. energy: -1.132 local terms energy: -846.190713 where: bonds (distance) C4'-P energy: -142.603 bonds (distance) P-C4' energy: -148.967 flat angles C4'-P-C4' energy: -173.030 flat angles P-C4'-P energy: -113.472 tors. eta vs tors. theta energy: -268.119 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: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -2699.733959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.733959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.733959 (E_RNA) where: Base-Base interactions energy: -1880.393 where: short stacking energy: -818.925 Base-Backbone interact. energy: -5.391 local terms energy: -813.949951 where: bonds (distance) C4'-P energy: -147.960 bonds (distance) P-C4' energy: -141.752 flat angles C4'-P-C4' energy: -169.500 flat angles P-C4'-P energy: -111.568 tors. eta vs tors. theta energy: -243.170 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: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -2551.717450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.717450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.717450 (E_RNA) where: Base-Base interactions energy: -1771.567 where: short stacking energy: -771.152 Base-Backbone interact. energy: 1.638 local terms energy: -781.788091 where: bonds (distance) C4'-P energy: -151.724 bonds (distance) P-C4' energy: -151.098 flat angles C4'-P-C4' energy: -170.853 flat angles P-C4'-P energy: -88.857 tors. eta vs tors. theta energy: -219.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -2424.154808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.154808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.154808 (E_RNA) where: Base-Base interactions energy: -1689.940 where: short stacking energy: -744.227 Base-Backbone interact. energy: -0.370 local terms energy: -733.845672 where: bonds (distance) C4'-P energy: -112.556 bonds (distance) P-C4' energy: -127.877 flat angles C4'-P-C4' energy: -171.404 flat angles P-C4'-P energy: -113.548 tors. eta vs tors. theta energy: -208.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -2016.049520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.049520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.049520 (E_RNA) where: Base-Base interactions energy: -1335.236 where: short stacking energy: -611.527 Base-Backbone interact. energy: -0.133 local terms energy: -680.681168 where: bonds (distance) C4'-P energy: -143.607 bonds (distance) P-C4' energy: -151.362 flat angles C4'-P-C4' energy: -138.078 flat angles P-C4'-P energy: -89.561 tors. eta vs tors. theta energy: -158.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1937.191158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.191158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.191158 (E_RNA) where: Base-Base interactions energy: -1308.410 where: short stacking energy: -558.832 Base-Backbone interact. energy: -1.439 local terms energy: -627.342132 where: bonds (distance) C4'-P energy: -130.051 bonds (distance) P-C4' energy: -124.098 flat angles C4'-P-C4' energy: -136.956 flat angles P-C4'-P energy: -96.500 tors. eta vs tors. theta energy: -139.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -1579.381114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.381114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.381114 (E_RNA) where: Base-Base interactions energy: -1039.005 where: short stacking energy: -486.017 Base-Backbone interact. energy: 10.472 local terms energy: -550.848676 where: bonds (distance) C4'-P energy: -133.500 bonds (distance) P-C4' energy: -126.482 flat angles C4'-P-C4' energy: -114.080 flat angles P-C4'-P energy: -84.647 tors. eta vs tors. theta energy: -92.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -3038.319304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.319304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.319304 (E_RNA) where: Base-Base interactions energy: -2111.722 where: short stacking energy: -915.767 Base-Backbone interact. energy: -4.449 local terms energy: -922.148681 where: bonds (distance) C4'-P energy: -161.926 bonds (distance) P-C4' energy: -157.072 flat angles C4'-P-C4' energy: -198.688 flat angles P-C4'-P energy: -125.196 tors. eta vs tors. theta energy: -279.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -2945.235491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.235491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.235491 (E_RNA) where: Base-Base interactions energy: -2031.684 where: short stacking energy: -908.035 Base-Backbone interact. energy: -2.450 local terms energy: -911.101922 where: bonds (distance) C4'-P energy: -152.285 bonds (distance) P-C4' energy: -166.420 flat angles C4'-P-C4' energy: -198.177 flat angles P-C4'-P energy: -130.802 tors. eta vs tors. theta energy: -263.417 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: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -2912.027631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.027631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.027631 (E_RNA) where: Base-Base interactions energy: -2041.453 where: short stacking energy: -895.739 Base-Backbone interact. energy: 0.261 local terms energy: -870.835756 where: bonds (distance) C4'-P energy: -144.458 bonds (distance) P-C4' energy: -140.298 flat angles C4'-P-C4' energy: -197.137 flat angles P-C4'-P energy: -126.530 tors. eta vs tors. theta energy: -262.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -2811.525195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.525195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.525195 (E_RNA) where: Base-Base interactions energy: -1930.626 where: short stacking energy: -870.938 Base-Backbone interact. energy: -1.726 local terms energy: -879.173195 where: bonds (distance) C4'-P energy: -141.068 bonds (distance) P-C4' energy: -156.321 flat angles C4'-P-C4' energy: -187.696 flat angles P-C4'-P energy: -129.645 tors. eta vs tors. theta energy: -264.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -2692.324583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.324583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.324583 (E_RNA) where: Base-Base interactions energy: -1883.108 where: short stacking energy: -805.977 Base-Backbone interact. energy: -2.224 local terms energy: -806.991623 where: bonds (distance) C4'-P energy: -144.195 bonds (distance) P-C4' energy: -141.572 flat angles C4'-P-C4' energy: -174.401 flat angles P-C4'-P energy: -117.038 tors. eta vs tors. theta energy: -229.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -2574.105989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.105989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.105989 (E_RNA) where: Base-Base interactions energy: -1783.998 where: short stacking energy: -780.084 Base-Backbone interact. energy: 0.681 local terms energy: -790.789119 where: bonds (distance) C4'-P energy: -145.333 bonds (distance) P-C4' energy: -145.897 flat angles C4'-P-C4' energy: -168.951 flat angles P-C4'-P energy: -111.051 tors. eta vs tors. theta energy: -219.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -2354.247130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.247130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.247130 (E_RNA) where: Base-Base interactions energy: -1616.422 where: short stacking energy: -743.544 Base-Backbone interact. energy: -2.691 local terms energy: -735.133809 where: bonds (distance) C4'-P energy: -128.429 bonds (distance) P-C4' energy: -148.180 flat angles C4'-P-C4' energy: -143.497 flat angles P-C4'-P energy: -104.223 tors. eta vs tors. theta energy: -210.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -2044.211239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.211239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.211239 (E_RNA) where: Base-Base interactions energy: -1379.157 where: short stacking energy: -605.737 Base-Backbone interact. energy: -2.643 local terms energy: -662.411681 where: bonds (distance) C4'-P energy: -128.011 bonds (distance) P-C4' energy: -135.731 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -91.885 tors. eta vs tors. theta energy: -154.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1966.588680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.588680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.588680 (E_RNA) where: Base-Base interactions energy: -1317.771 where: short stacking energy: -580.291 Base-Backbone interact. energy: -0.830 local terms energy: -647.987641 where: bonds (distance) C4'-P energy: -116.219 bonds (distance) P-C4' energy: -139.084 flat angles C4'-P-C4' energy: -150.379 flat angles P-C4'-P energy: -98.163 tors. eta vs tors. theta energy: -144.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -1587.150044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.150044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.150044 (E_RNA) where: Base-Base interactions energy: -1061.855 where: short stacking energy: -471.798 Base-Backbone interact. energy: 2.407 local terms energy: -527.702539 where: bonds (distance) C4'-P energy: -136.055 bonds (distance) P-C4' energy: -129.565 flat angles C4'-P-C4' energy: -109.878 flat angles P-C4'-P energy: -59.283 tors. eta vs tors. theta energy: -92.921 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: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -3065.617842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.617842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.617842 (E_RNA) where: Base-Base interactions energy: -2129.621 where: short stacking energy: -946.601 Base-Backbone interact. energy: -1.479 local terms energy: -934.518560 where: bonds (distance) C4'-P energy: -148.201 bonds (distance) P-C4' energy: -164.837 flat angles C4'-P-C4' energy: -205.248 flat angles P-C4'-P energy: -134.787 tors. eta vs tors. theta energy: -281.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -2931.959633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.959633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.959633 (E_RNA) where: Base-Base interactions energy: -2047.454 where: short stacking energy: -901.377 Base-Backbone interact. energy: -1.091 local terms energy: -883.415093 where: bonds (distance) C4'-P energy: -144.062 bonds (distance) P-C4' energy: -145.752 flat angles C4'-P-C4' energy: -197.325 flat angles P-C4'-P energy: -137.289 tors. eta vs tors. theta energy: -258.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -2887.283015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.283015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.283015 (E_RNA) where: Base-Base interactions energy: -2016.280 where: short stacking energy: -854.231 Base-Backbone interact. energy: -3.607 local terms energy: -867.395702 where: bonds (distance) C4'-P energy: -158.127 bonds (distance) P-C4' energy: -169.001 flat angles C4'-P-C4' energy: -183.345 flat angles P-C4'-P energy: -117.774 tors. eta vs tors. theta energy: -239.148 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: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -2789.113940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.113940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.113940 (E_RNA) where: Base-Base interactions energy: -1927.297 where: short stacking energy: -852.195 Base-Backbone interact. energy: -5.719 local terms energy: -856.097708 where: bonds (distance) C4'-P energy: -147.551 bonds (distance) P-C4' energy: -168.219 flat angles C4'-P-C4' energy: -172.142 flat angles P-C4'-P energy: -113.812 tors. eta vs tors. theta energy: -254.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -2708.392418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.392418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.392418 (E_RNA) where: Base-Base interactions energy: -1925.012 where: short stacking energy: -795.980 Base-Backbone interact. energy: 6.449 local terms energy: -789.829686 where: bonds (distance) C4'-P energy: -141.048 bonds (distance) P-C4' energy: -143.858 flat angles C4'-P-C4' energy: -172.008 flat angles P-C4'-P energy: -103.052 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: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -2511.758266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.758266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.758266 (E_RNA) where: Base-Base interactions energy: -1752.972 where: short stacking energy: -758.655 Base-Backbone interact. energy: -0.605 local terms energy: -758.181554 where: bonds (distance) C4'-P energy: -133.633 bonds (distance) P-C4' energy: -146.039 flat angles C4'-P-C4' energy: -167.034 flat angles P-C4'-P energy: -97.396 tors. eta vs tors. theta energy: -214.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -2431.759807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.759807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.759807 (E_RNA) where: Base-Base interactions energy: -1662.095 where: short stacking energy: -759.766 Base-Backbone interact. energy: -2.072 local terms energy: -767.593410 where: bonds (distance) C4'-P energy: -142.651 bonds (distance) P-C4' energy: -133.583 flat angles C4'-P-C4' energy: -163.824 flat angles P-C4'-P energy: -115.901 tors. eta vs tors. theta energy: -211.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -2073.003316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.003316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.003316 (E_RNA) where: Base-Base interactions energy: -1408.378 where: short stacking energy: -608.657 Base-Backbone interact. energy: 3.187 local terms energy: -667.811477 where: bonds (distance) C4'-P energy: -147.379 bonds (distance) P-C4' energy: -121.771 flat angles C4'-P-C4' energy: -142.414 flat angles P-C4'-P energy: -98.727 tors. eta vs tors. theta energy: -157.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1959.206190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.206190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.206190 (E_RNA) where: Base-Base interactions energy: -1319.102 where: short stacking energy: -575.493 Base-Backbone interact. energy: -1.534 local terms energy: -638.570072 where: bonds (distance) C4'-P energy: -113.859 bonds (distance) P-C4' energy: -130.136 flat angles C4'-P-C4' energy: -160.168 flat angles P-C4'-P energy: -63.534 tors. eta vs tors. theta energy: -170.873 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: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1535.228262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.228262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.228262 (E_RNA) where: Base-Base interactions energy: -1045.157 where: short stacking energy: -466.880 Base-Backbone interact. energy: 3.963 local terms energy: -494.034676 where: bonds (distance) C4'-P energy: -114.542 bonds (distance) P-C4' energy: -125.832 flat angles C4'-P-C4' energy: -121.684 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: -80.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -3069.394169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.394169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.394169 (E_RNA) where: Base-Base interactions energy: -2160.610 where: short stacking energy: -920.898 Base-Backbone interact. energy: -5.600 local terms energy: -903.183990 where: bonds (distance) C4'-P energy: -144.372 bonds (distance) P-C4' energy: -159.825 flat angles C4'-P-C4' energy: -184.728 flat angles P-C4'-P energy: -138.669 tors. eta vs tors. theta energy: -275.590 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: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2960.663841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.663841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.663841 (E_RNA) where: Base-Base interactions energy: -2047.173 where: short stacking energy: -899.334 Base-Backbone interact. energy: -2.149 local terms energy: -911.341684 where: bonds (distance) C4'-P energy: -161.469 bonds (distance) P-C4' energy: -151.402 flat angles C4'-P-C4' energy: -194.476 flat angles P-C4'-P energy: -132.626 tors. eta vs tors. theta energy: -271.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -2891.086105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.086105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.086105 (E_RNA) where: Base-Base interactions energy: -2019.516 where: short stacking energy: -840.094 Base-Backbone interact. energy: -3.656 local terms energy: -867.914462 where: bonds (distance) C4'-P energy: -157.763 bonds (distance) P-C4' energy: -152.705 flat angles C4'-P-C4' energy: -201.223 flat angles P-C4'-P energy: -108.431 tors. eta vs tors. theta energy: -247.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -2772.657173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.657173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.657173 (E_RNA) where: Base-Base interactions energy: -1921.334 where: short stacking energy: -837.434 Base-Backbone interact. energy: -2.011 local terms energy: -849.312146 where: bonds (distance) C4'-P energy: -160.206 bonds (distance) P-C4' energy: -142.552 flat angles C4'-P-C4' energy: -194.452 flat angles P-C4'-P energy: -105.168 tors. eta vs tors. theta energy: -246.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -2679.303714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.303714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.303714 (E_RNA) where: Base-Base interactions energy: -1842.570 where: short stacking energy: -803.246 Base-Backbone interact. energy: -4.045 local terms energy: -832.688841 where: bonds (distance) C4'-P energy: -150.965 bonds (distance) P-C4' energy: -145.354 flat angles C4'-P-C4' energy: -192.559 flat angles P-C4'-P energy: -106.781 tors. eta vs tors. theta energy: -237.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -2510.113676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.113676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.113676 (E_RNA) where: Base-Base interactions energy: -1756.561 where: short stacking energy: -767.274 Base-Backbone interact. energy: 2.431 local terms energy: -755.984114 where: bonds (distance) C4'-P energy: -123.095 bonds (distance) P-C4' energy: -144.854 flat angles C4'-P-C4' energy: -170.072 flat angles P-C4'-P energy: -93.981 tors. eta vs tors. theta energy: -223.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -2381.993186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.993186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.993186 (E_RNA) where: Base-Base interactions energy: -1628.970 where: short stacking energy: -751.106 Base-Backbone interact. energy: -0.692 local terms energy: -752.331902 where: bonds (distance) C4'-P energy: -145.711 bonds (distance) P-C4' energy: -128.097 flat angles C4'-P-C4' energy: -159.513 flat angles P-C4'-P energy: -107.920 tors. eta vs tors. theta energy: -211.091 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: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -2086.846223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.846223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.846223 (E_RNA) where: Base-Base interactions energy: -1425.528 where: short stacking energy: -628.604 Base-Backbone interact. energy: -5.784 local terms energy: -655.534153 where: bonds (distance) C4'-P energy: -142.319 bonds (distance) P-C4' energy: -129.383 flat angles C4'-P-C4' energy: -154.359 flat angles P-C4'-P energy: -79.394 tors. eta vs tors. theta energy: -150.079 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: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1965.294612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.294612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.294612 (E_RNA) where: Base-Base interactions energy: -1330.834 where: short stacking energy: -593.554 Base-Backbone interact. energy: -5.490 local terms energy: -628.971087 where: bonds (distance) C4'-P energy: -119.600 bonds (distance) P-C4' energy: -147.965 flat angles C4'-P-C4' energy: -142.889 flat angles P-C4'-P energy: -76.090 tors. eta vs tors. theta energy: -142.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1444.200395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.200395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.200395 (E_RNA) where: Base-Base interactions energy: -943.255 where: short stacking energy: -447.549 Base-Backbone interact. energy: -1.159 local terms energy: -499.785636 where: bonds (distance) C4'-P energy: -128.126 bonds (distance) P-C4' energy: -108.060 flat angles C4'-P-C4' energy: -127.529 flat angles P-C4'-P energy: -62.252 tors. eta vs tors. theta energy: -73.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -3048.242761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.242761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.242761 (E_RNA) where: Base-Base interactions energy: -2116.592 where: short stacking energy: -928.122 Base-Backbone interact. energy: -3.743 local terms energy: -927.907672 where: bonds (distance) C4'-P energy: -169.869 bonds (distance) P-C4' energy: -161.497 flat angles C4'-P-C4' energy: -193.805 flat angles P-C4'-P energy: -131.221 tors. eta vs tors. theta energy: -271.517 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: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2997.673812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.673812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.673812 (E_RNA) where: Base-Base interactions energy: -2094.899 where: short stacking energy: -911.874 Base-Backbone interact. energy: -1.842 local terms energy: -900.932812 where: bonds (distance) C4'-P energy: -144.148 bonds (distance) P-C4' energy: -156.104 flat angles C4'-P-C4' energy: -192.974 flat angles P-C4'-P energy: -130.198 tors. eta vs tors. theta energy: -277.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -2930.875275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.875275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.875275 (E_RNA) where: Base-Base interactions energy: -2026.126 where: short stacking energy: -871.525 Base-Backbone interact. energy: -3.324 local terms energy: -901.424466 where: bonds (distance) C4'-P energy: -160.863 bonds (distance) P-C4' energy: -159.086 flat angles C4'-P-C4' energy: -188.138 flat angles P-C4'-P energy: -130.248 tors. eta vs tors. theta energy: -263.089 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: 4, replica: 4 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -2783.398478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.398478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.398478 (E_RNA) where: Base-Base interactions energy: -1915.476 where: short stacking energy: -847.739 Base-Backbone interact. energy: -3.279 local terms energy: -864.643462 where: bonds (distance) C4'-P energy: -141.596 bonds (distance) P-C4' energy: -163.744 flat angles C4'-P-C4' energy: -186.237 flat angles P-C4'-P energy: -122.433 tors. eta vs tors. theta energy: -250.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -2723.532925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.532925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.532925 (E_RNA) where: Base-Base interactions energy: -1914.865 where: short stacking energy: -803.343 Base-Backbone interact. energy: -5.242 local terms energy: -803.425449 where: bonds (distance) C4'-P energy: -135.349 bonds (distance) P-C4' energy: -132.383 flat angles C4'-P-C4' energy: -176.529 flat angles P-C4'-P energy: -116.918 tors. eta vs tors. theta energy: -242.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -2567.639699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.639699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.639699 (E_RNA) where: Base-Base interactions energy: -1745.120 where: short stacking energy: -809.182 Base-Backbone interact. energy: -0.804 local terms energy: -821.715029 where: bonds (distance) C4'-P energy: -138.953 bonds (distance) P-C4' energy: -164.549 flat angles C4'-P-C4' energy: -176.383 flat angles P-C4'-P energy: -105.558 tors. eta vs tors. theta energy: -236.272 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: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -2418.450508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.450508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.450508 (E_RNA) where: Base-Base interactions energy: -1697.080 where: short stacking energy: -759.426 Base-Backbone interact. energy: -3.735 local terms energy: -717.635209 where: bonds (distance) C4'-P energy: -152.692 bonds (distance) P-C4' energy: -119.947 flat angles C4'-P-C4' energy: -145.323 flat angles P-C4'-P energy: -83.563 tors. eta vs tors. theta energy: -216.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -2030.145412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.145412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.145412 (E_RNA) where: Base-Base interactions energy: -1353.398 where: short stacking energy: -617.617 Base-Backbone interact. energy: -3.523 local terms energy: -673.224333 where: bonds (distance) C4'-P energy: -127.538 bonds (distance) P-C4' energy: -149.770 flat angles C4'-P-C4' energy: -152.715 flat angles P-C4'-P energy: -90.922 tors. eta vs tors. theta energy: -152.280 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: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1931.786014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.786014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.786014 (E_RNA) where: Base-Base interactions energy: -1318.991 where: short stacking energy: -588.304 Base-Backbone interact. energy: 2.331 local terms energy: -615.126081 where: bonds (distance) C4'-P energy: -129.077 bonds (distance) P-C4' energy: -116.953 flat angles C4'-P-C4' energy: -140.106 flat angles P-C4'-P energy: -90.606 tors. eta vs tors. theta energy: -138.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -1470.301017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.301017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.301017 (E_RNA) where: Base-Base interactions energy: -930.860 where: short stacking energy: -415.111 Base-Backbone interact. energy: -1.178 local terms energy: -538.262358 where: bonds (distance) C4'-P energy: -105.372 bonds (distance) P-C4' energy: -142.970 flat angles C4'-P-C4' energy: -159.381 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: -70.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -3051.463360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.463360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.463360 (E_RNA) where: Base-Base interactions energy: -2086.299 where: short stacking energy: -899.946 Base-Backbone interact. energy: -3.230 local terms energy: -961.934407 where: bonds (distance) C4'-P energy: -180.231 bonds (distance) P-C4' energy: -173.142 flat angles C4'-P-C4' energy: -194.308 flat angles P-C4'-P energy: -133.143 tors. eta vs tors. theta energy: -281.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -3063.144469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.144469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.144469 (E_RNA) where: Base-Base interactions energy: -2145.361 where: short stacking energy: -912.296 Base-Backbone interact. energy: -4.240 local terms energy: -913.543379 where: bonds (distance) C4'-P energy: -152.299 bonds (distance) P-C4' energy: -160.612 flat angles C4'-P-C4' energy: -192.004 flat angles P-C4'-P energy: -134.811 tors. eta vs tors. theta energy: -273.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2894.380502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.380502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.380502 (E_RNA) where: Base-Base interactions energy: -2004.571 where: short stacking energy: -885.168 Base-Backbone interact. energy: -5.022 local terms energy: -884.787475 where: bonds (distance) C4'-P energy: -158.463 bonds (distance) P-C4' energy: -166.799 flat angles C4'-P-C4' energy: -180.976 flat angles P-C4'-P energy: -125.292 tors. eta vs tors. theta energy: -253.257 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: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -2745.953007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.953007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.953007 (E_RNA) where: Base-Base interactions energy: -1946.502 where: short stacking energy: -867.911 Base-Backbone interact. energy: -2.940 local terms energy: -796.510388 where: bonds (distance) C4'-P energy: -145.097 bonds (distance) P-C4' energy: -137.977 flat angles C4'-P-C4' energy: -181.926 flat angles P-C4'-P energy: -107.059 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: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -2738.759410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.759410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.759410 (E_RNA) where: Base-Base interactions energy: -1895.592 where: short stacking energy: -831.972 Base-Backbone interact. energy: 0.246 local terms energy: -843.413349 where: bonds (distance) C4'-P energy: -136.196 bonds (distance) P-C4' energy: -160.026 flat angles C4'-P-C4' energy: -173.904 flat angles P-C4'-P energy: -112.645 tors. eta vs tors. theta energy: -260.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -2612.702708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.702708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.702708 (E_RNA) where: Base-Base interactions energy: -1824.022 where: short stacking energy: -795.731 Base-Backbone interact. energy: 3.229 local terms energy: -791.909669 where: bonds (distance) C4'-P energy: -144.917 bonds (distance) P-C4' energy: -138.945 flat angles C4'-P-C4' energy: -173.579 flat angles P-C4'-P energy: -105.913 tors. eta vs tors. theta energy: -228.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -2406.748749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.748749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.748749 (E_RNA) where: Base-Base interactions energy: -1684.488 where: short stacking energy: -716.632 Base-Backbone interact. energy: 3.539 local terms energy: -725.799727 where: bonds (distance) C4'-P energy: -127.385 bonds (distance) P-C4' energy: -128.778 flat angles C4'-P-C4' energy: -163.856 flat angles P-C4'-P energy: -102.689 tors. eta vs tors. theta energy: -203.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -2101.178377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.178377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.178377 (E_RNA) where: Base-Base interactions energy: -1443.167 where: short stacking energy: -655.512 Base-Backbone interact. energy: -1.115 local terms energy: -656.896231 where: bonds (distance) C4'-P energy: -143.864 bonds (distance) P-C4' energy: -131.702 flat angles C4'-P-C4' energy: -134.901 flat angles P-C4'-P energy: -85.751 tors. eta vs tors. theta energy: -160.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -2025.958268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.958268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.958268 (E_RNA) where: Base-Base interactions energy: -1412.527 where: short stacking energy: -613.303 Base-Backbone interact. energy: 3.902 local terms energy: -617.332851 where: bonds (distance) C4'-P energy: -119.652 bonds (distance) P-C4' energy: -114.746 flat angles C4'-P-C4' energy: -134.044 flat angles P-C4'-P energy: -84.956 tors. eta vs tors. theta energy: -163.934 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: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1523.709236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.709236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.709236 (E_RNA) where: Base-Base interactions energy: -961.635 where: short stacking energy: -436.883 Base-Backbone interact. energy: 4.016 local terms energy: -566.090763 where: bonds (distance) C4'-P energy: -133.829 bonds (distance) P-C4' energy: -146.103 flat angles C4'-P-C4' energy: -139.329 flat angles P-C4'-P energy: -79.858 tors. eta vs tors. theta energy: -66.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -3050.839074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.839074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.839074 (E_RNA) where: Base-Base interactions energy: -2137.774 where: short stacking energy: -918.432 Base-Backbone interact. energy: -2.036 local terms energy: -911.029233 where: bonds (distance) C4'-P energy: -159.833 bonds (distance) P-C4' energy: -153.401 flat angles C4'-P-C4' energy: -199.776 flat angles P-C4'-P energy: -126.005 tors. eta vs tors. theta energy: -272.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -3043.975423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.975423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.975423 (E_RNA) where: Base-Base interactions energy: -2137.195 where: short stacking energy: -924.550 Base-Backbone interact. energy: -4.668 local terms energy: -902.112229 where: bonds (distance) C4'-P energy: -145.427 bonds (distance) P-C4' energy: -159.858 flat angles C4'-P-C4' energy: -200.965 flat angles P-C4'-P energy: -124.515 tors. eta vs tors. theta energy: -271.347 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: 3, replica: 2 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -2899.758266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.758266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.758266 (E_RNA) where: Base-Base interactions energy: -2022.258 where: short stacking energy: -873.765 Base-Backbone interact. energy: -3.281 local terms energy: -874.219012 where: bonds (distance) C4'-P energy: -143.059 bonds (distance) P-C4' energy: -146.964 flat angles C4'-P-C4' energy: -194.024 flat angles P-C4'-P energy: -136.621 tors. eta vs tors. theta energy: -253.551 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: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -2804.130922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.130922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.130922 (E_RNA) where: Base-Base interactions energy: -1952.228 where: short stacking energy: -860.232 Base-Backbone interact. energy: -1.431 local terms energy: -850.472446 where: bonds (distance) C4'-P energy: -158.585 bonds (distance) P-C4' energy: -161.953 flat angles C4'-P-C4' energy: -171.615 flat angles P-C4'-P energy: -101.749 tors. eta vs tors. theta energy: -256.570 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: 19 Temperature: 1.100000 Total energy: -2723.989057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.989057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.989057 (E_RNA) where: Base-Base interactions energy: -1869.720 where: short stacking energy: -861.093 Base-Backbone interact. energy: -0.532 local terms energy: -853.737233 where: bonds (distance) C4'-P energy: -133.859 bonds (distance) P-C4' energy: -167.740 flat angles C4'-P-C4' energy: -184.186 flat angles P-C4'-P energy: -114.794 tors. eta vs tors. theta energy: -253.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -2561.139436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.139436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.139436 (E_RNA) where: Base-Base interactions energy: -1741.672 where: short stacking energy: -783.986 Base-Backbone interact. energy: 2.474 local terms energy: -821.941900 where: bonds (distance) C4'-P energy: -149.109 bonds (distance) P-C4' energy: -146.782 flat angles C4'-P-C4' energy: -170.026 flat angles P-C4'-P energy: -114.297 tors. eta vs tors. theta energy: -241.729 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: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -2395.884423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.884423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.884423 (E_RNA) where: Base-Base interactions energy: -1642.691 where: short stacking energy: -712.966 Base-Backbone interact. energy: -2.959 local terms energy: -750.234825 where: bonds (distance) C4'-P energy: -148.372 bonds (distance) P-C4' energy: -144.897 flat angles C4'-P-C4' energy: -152.587 flat angles P-C4'-P energy: -109.866 tors. eta vs tors. theta energy: -194.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -2132.230926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.230926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.230926 (E_RNA) where: Base-Base interactions energy: -1468.507 where: short stacking energy: -657.131 Base-Backbone interact. energy: -3.133 local terms energy: -660.590339 where: bonds (distance) C4'-P energy: -135.279 bonds (distance) P-C4' energy: -132.015 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -89.213 tors. eta vs tors. theta energy: -162.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1967.445888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.445888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.445888 (E_RNA) where: Base-Base interactions energy: -1326.901 where: short stacking energy: -578.481 Base-Backbone interact. energy: -1.727 local terms energy: -638.817720 where: bonds (distance) C4'-P energy: -126.291 bonds (distance) P-C4' energy: -123.303 flat angles C4'-P-C4' energy: -154.615 flat angles P-C4'-P energy: -93.111 tors. eta vs tors. theta energy: -141.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1461.716442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.716442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.716442 (E_RNA) where: Base-Base interactions energy: -944.171 where: short stacking energy: -445.099 Base-Backbone interact. energy: 0.250 local terms energy: -517.794724 where: bonds (distance) C4'-P energy: -116.053 bonds (distance) P-C4' energy: -141.919 flat angles C4'-P-C4' energy: -127.019 flat angles P-C4'-P energy: -57.586 tors. eta vs tors. theta energy: -75.218 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: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -3066.995473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.995473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.995473 (E_RNA) where: Base-Base interactions energy: -2154.382 where: short stacking energy: -922.597 Base-Backbone interact. energy: -4.615 local terms energy: -907.998844 where: bonds (distance) C4'-P energy: -153.340 bonds (distance) P-C4' energy: -172.218 flat angles C4'-P-C4' energy: -191.585 flat angles P-C4'-P energy: -126.700 tors. eta vs tors. theta energy: -264.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -3054.022909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.022909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.022909 (E_RNA) where: Base-Base interactions energy: -2124.368 where: short stacking energy: -908.127 Base-Backbone interact. energy: -2.359 local terms energy: -927.295720 where: bonds (distance) C4'-P energy: -158.339 bonds (distance) P-C4' energy: -170.246 flat angles C4'-P-C4' energy: -190.186 flat angles P-C4'-P energy: -129.109 tors. eta vs tors. theta energy: -279.416 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: 2 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -2858.414426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.414426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.414426 (E_RNA) where: Base-Base interactions energy: -1994.410 where: short stacking energy: -871.123 Base-Backbone interact. energy: -3.020 local terms energy: -860.985030 where: bonds (distance) C4'-P energy: -153.039 bonds (distance) P-C4' energy: -145.565 flat angles C4'-P-C4' energy: -185.935 flat angles P-C4'-P energy: -122.611 tors. eta vs tors. theta energy: -253.835 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: 4, replica: 4 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -2772.373138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.373138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.373138 (E_RNA) where: Base-Base interactions energy: -1950.925 where: short stacking energy: -856.697 Base-Backbone interact. energy: -1.006 local terms energy: -820.441893 where: bonds (distance) C4'-P energy: -142.222 bonds (distance) P-C4' energy: -148.321 flat angles C4'-P-C4' energy: -180.478 flat angles P-C4'-P energy: -99.270 tors. eta vs tors. theta energy: -250.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -2680.428570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.428570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.428570 (E_RNA) where: Base-Base interactions energy: -1876.950 where: short stacking energy: -839.445 Base-Backbone interact. energy: -1.672 local terms energy: -801.807365 where: bonds (distance) C4'-P energy: -126.753 bonds (distance) P-C4' energy: -144.864 flat angles C4'-P-C4' energy: -171.566 flat angles P-C4'-P energy: -120.574 tors. eta vs tors. theta energy: -238.051 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: 6, replica: 6 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -2549.277538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.277538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.277538 (E_RNA) where: Base-Base interactions energy: -1759.378 where: short stacking energy: -754.265 Base-Backbone interact. energy: -3.215 local terms energy: -786.684535 where: bonds (distance) C4'-P energy: -141.150 bonds (distance) P-C4' energy: -156.503 flat angles C4'-P-C4' energy: -165.085 flat angles P-C4'-P energy: -108.151 tors. eta vs tors. theta energy: -215.795 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: 7 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -2401.676865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.676865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.676865 (E_RNA) where: Base-Base interactions energy: -1690.990 where: short stacking energy: -762.081 Base-Backbone interact. energy: -2.635 local terms energy: -708.052126 where: bonds (distance) C4'-P energy: -126.958 bonds (distance) P-C4' energy: -115.818 flat angles C4'-P-C4' energy: -166.330 flat angles P-C4'-P energy: -91.993 tors. eta vs tors. theta energy: -206.953 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: 8 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -2142.632311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.632311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.632311 (E_RNA) where: Base-Base interactions energy: -1450.031 where: short stacking energy: -619.506 Base-Backbone interact. energy: -2.932 local terms energy: -689.669687 where: bonds (distance) C4'-P energy: -125.963 bonds (distance) P-C4' energy: -152.580 flat angles C4'-P-C4' energy: -149.269 flat angles P-C4'-P energy: -85.889 tors. eta vs tors. theta energy: -175.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1806.376577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.376577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.376577 (E_RNA) where: Base-Base interactions energy: -1219.167 where: short stacking energy: -550.976 Base-Backbone interact. energy: -3.111 local terms energy: -584.097845 where: bonds (distance) C4'-P energy: -110.945 bonds (distance) P-C4' energy: -127.168 flat angles C4'-P-C4' energy: -139.572 flat angles P-C4'-P energy: -96.347 tors. eta vs tors. theta energy: -110.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1537.917233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.917233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.917233 (E_RNA) where: Base-Base interactions energy: -1020.358 where: short stacking energy: -506.835 Base-Backbone interact. energy: 4.015 local terms energy: -521.574267 where: bonds (distance) C4'-P energy: -126.135 bonds (distance) P-C4' energy: -112.416 flat angles C4'-P-C4' energy: -128.641 flat angles P-C4'-P energy: -59.732 tors. eta vs tors. theta energy: -94.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -3083.408632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.408632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.408632 (E_RNA) where: Base-Base interactions energy: -2123.406 where: short stacking energy: -916.952 Base-Backbone interact. energy: -3.496 local terms energy: -956.507030 where: bonds (distance) C4'-P energy: -171.400 bonds (distance) P-C4' energy: -175.091 flat angles C4'-P-C4' energy: -197.007 flat angles P-C4'-P energy: -133.135 tors. eta vs tors. theta energy: -279.874 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: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -3036.391952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.391952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.391952 (E_RNA) where: Base-Base interactions energy: -2113.550 where: short stacking energy: -928.962 Base-Backbone interact. energy: -4.028 local terms energy: -918.814256 where: bonds (distance) C4'-P energy: -158.583 bonds (distance) P-C4' energy: -168.594 flat angles C4'-P-C4' energy: -189.990 flat angles P-C4'-P energy: -124.446 tors. eta vs tors. theta energy: -277.200 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: 21 Temperature: 1.000000 Total energy: -2896.836036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.836036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.836036 (E_RNA) where: Base-Base interactions energy: -2034.313 where: short stacking energy: -841.920 Base-Backbone interact. energy: -0.573 local terms energy: -861.950031 where: bonds (distance) C4'-P energy: -152.514 bonds (distance) P-C4' energy: -169.641 flat angles C4'-P-C4' energy: -170.528 flat angles P-C4'-P energy: -121.397 tors. eta vs tors. theta energy: -247.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -2778.232233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.232233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.232233 (E_RNA) where: Base-Base interactions energy: -1913.422 where: short stacking energy: -841.102 Base-Backbone interact. energy: 0.936 local terms energy: -865.746039 where: bonds (distance) C4'-P energy: -159.237 bonds (distance) P-C4' energy: -147.113 flat angles C4'-P-C4' energy: -188.388 flat angles P-C4'-P energy: -114.929 tors. eta vs tors. theta energy: -256.079 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: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -2657.757969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.757969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.757969 (E_RNA) where: Base-Base interactions energy: -1826.356 where: short stacking energy: -781.560 Base-Backbone interact. energy: -4.719 local terms energy: -826.682808 where: bonds (distance) C4'-P energy: -142.655 bonds (distance) P-C4' energy: -155.156 flat angles C4'-P-C4' energy: -178.351 flat angles P-C4'-P energy: -120.462 tors. eta vs tors. theta energy: -230.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -2505.234736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.234736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.234736 (E_RNA) where: Base-Base interactions energy: -1725.945 where: short stacking energy: -764.569 Base-Backbone interact. energy: -1.206 local terms energy: -778.083988 where: bonds (distance) C4'-P energy: -142.456 bonds (distance) P-C4' energy: -133.213 flat angles C4'-P-C4' energy: -173.154 flat angles P-C4'-P energy: -100.510 tors. eta vs tors. theta energy: -228.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -2412.936995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.936995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.936995 (E_RNA) where: Base-Base interactions energy: -1657.451 where: short stacking energy: -715.491 Base-Backbone interact. energy: -4.992 local terms energy: -750.493295 where: bonds (distance) C4'-P energy: -143.401 bonds (distance) P-C4' energy: -150.751 flat angles C4'-P-C4' energy: -153.903 flat angles P-C4'-P energy: -107.968 tors. eta vs tors. theta energy: -194.469 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: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -2106.394782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.394782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.394782 (E_RNA) where: Base-Base interactions energy: -1412.669 where: short stacking energy: -619.152 Base-Backbone interact. energy: -2.311 local terms energy: -691.415139 where: bonds (distance) C4'-P energy: -112.296 bonds (distance) P-C4' energy: -155.095 flat angles C4'-P-C4' energy: -160.368 flat angles P-C4'-P energy: -103.462 tors. eta vs tors. theta energy: -160.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1875.473988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.473988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.473988 (E_RNA) where: Base-Base interactions energy: -1229.429 where: short stacking energy: -576.067 Base-Backbone interact. energy: -0.069 local terms energy: -645.976049 where: bonds (distance) C4'-P energy: -148.653 bonds (distance) P-C4' energy: -136.457 flat angles C4'-P-C4' energy: -140.522 flat angles P-C4'-P energy: -90.932 tors. eta vs tors. theta energy: -129.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1577.681951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.681951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.681951 (E_RNA) where: Base-Base interactions energy: -1035.658 where: short stacking energy: -446.440 Base-Backbone interact. energy: -3.175 local terms energy: -538.848607 where: bonds (distance) C4'-P energy: -130.566 bonds (distance) P-C4' energy: -112.453 flat angles C4'-P-C4' energy: -142.108 flat angles P-C4'-P energy: -83.841 tors. eta vs tors. theta energy: -69.881 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: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -3094.754300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.754300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.754300 (E_RNA) where: Base-Base interactions energy: -2165.273 where: short stacking energy: -944.337 Base-Backbone interact. energy: -4.419 local terms energy: -925.062503 where: bonds (distance) C4'-P energy: -164.401 bonds (distance) P-C4' energy: -149.919 flat angles C4'-P-C4' energy: -201.826 flat angles P-C4'-P energy: -139.779 tors. eta vs tors. theta energy: -269.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2988.391120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.391120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.391120 (E_RNA) where: Base-Base interactions energy: -2079.067 where: short stacking energy: -915.313 Base-Backbone interact. energy: -1.379 local terms energy: -907.945824 where: bonds (distance) C4'-P energy: -154.919 bonds (distance) P-C4' energy: -166.534 flat angles C4'-P-C4' energy: -191.644 flat angles P-C4'-P energy: -123.621 tors. eta vs tors. theta energy: -271.227 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: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2862.750985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.750985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.750985 (E_RNA) where: Base-Base interactions energy: -1982.944 where: short stacking energy: -834.947 Base-Backbone interact. energy: -2.182 local terms energy: -877.625194 where: bonds (distance) C4'-P energy: -167.509 bonds (distance) P-C4' energy: -167.598 flat angles C4'-P-C4' energy: -179.117 flat angles P-C4'-P energy: -122.802 tors. eta vs tors. theta energy: -240.600 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: 22 Temperature: 1.050000 Total energy: -2758.533318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.533318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.533318 (E_RNA) where: Base-Base interactions energy: -1906.770 where: short stacking energy: -837.771 Base-Backbone interact. energy: 0.754 local terms energy: -852.517216 where: bonds (distance) C4'-P energy: -153.365 bonds (distance) P-C4' energy: -153.741 flat angles C4'-P-C4' energy: -186.534 flat angles P-C4'-P energy: -108.069 tors. eta vs tors. theta energy: -250.808 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: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -2645.396952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.396952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.396952 (E_RNA) where: Base-Base interactions energy: -1865.181 where: short stacking energy: -794.377 Base-Backbone interact. energy: -5.917 local terms energy: -774.299674 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -149.633 flat angles C4'-P-C4' energy: -164.988 flat angles P-C4'-P energy: -96.205 tors. eta vs tors. theta energy: -232.975 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: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -2558.092886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.092886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.092886 (E_RNA) where: Base-Base interactions energy: -1755.155 where: short stacking energy: -761.741 Base-Backbone interact. energy: -3.066 local terms energy: -799.872557 where: bonds (distance) C4'-P energy: -159.133 bonds (distance) P-C4' energy: -147.851 flat angles C4'-P-C4' energy: -148.531 flat angles P-C4'-P energy: -126.285 tors. eta vs tors. theta energy: -218.073 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: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -2412.516845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.516845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.516845 (E_RNA) where: Base-Base interactions energy: -1666.522 where: short stacking energy: -747.036 Base-Backbone interact. energy: 0.271 local terms energy: -746.265654 where: bonds (distance) C4'-P energy: -133.175 bonds (distance) P-C4' energy: -135.251 flat angles C4'-P-C4' energy: -157.065 flat angles P-C4'-P energy: -105.127 tors. eta vs tors. theta energy: -215.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -2085.783545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.783545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.783545 (E_RNA) where: Base-Base interactions energy: -1400.360 where: short stacking energy: -638.196 Base-Backbone interact. energy: -1.146 local terms energy: -684.277724 where: bonds (distance) C4'-P energy: -137.881 bonds (distance) P-C4' energy: -128.147 flat angles C4'-P-C4' energy: -140.848 flat angles P-C4'-P energy: -115.273 tors. eta vs tors. theta energy: -162.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1806.291093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.291093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.291093 (E_RNA) where: Base-Base interactions energy: -1228.169 where: short stacking energy: -531.992 Base-Backbone interact. energy: 0.626 local terms energy: -578.747448 where: bonds (distance) C4'-P energy: -111.488 bonds (distance) P-C4' energy: -141.647 flat angles C4'-P-C4' energy: -118.468 flat angles P-C4'-P energy: -86.697 tors. eta vs tors. theta energy: -120.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1539.476702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.476702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.476702 (E_RNA) where: Base-Base interactions energy: -986.133 where: short stacking energy: -478.821 Base-Backbone interact. energy: 1.688 local terms energy: -555.031536 where: bonds (distance) C4'-P energy: -121.286 bonds (distance) P-C4' energy: -135.963 flat angles C4'-P-C4' energy: -128.748 flat angles P-C4'-P energy: -69.033 tors. eta vs tors. theta energy: -100.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -3070.345128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.345128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.345128 (E_RNA) where: Base-Base interactions energy: -2129.968 where: short stacking energy: -937.266 Base-Backbone interact. energy: -5.010 local terms energy: -935.367425 where: bonds (distance) C4'-P energy: -172.791 bonds (distance) P-C4' energy: -170.553 flat angles C4'-P-C4' energy: -201.669 flat angles P-C4'-P energy: -123.903 tors. eta vs tors. theta energy: -266.451 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: 2, replica: 1 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2994.036209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.036209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.036209 (E_RNA) where: Base-Base interactions energy: -2095.561 where: short stacking energy: -908.051 Base-Backbone interact. energy: -3.222 local terms energy: -895.252697 where: bonds (distance) C4'-P energy: -149.885 bonds (distance) P-C4' energy: -164.725 flat angles C4'-P-C4' energy: -181.085 flat angles P-C4'-P energy: -132.870 tors. eta vs tors. theta energy: -266.689 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: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2847.383396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.383396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.383396 (E_RNA) where: Base-Base interactions energy: -1977.882 where: short stacking energy: -859.541 Base-Backbone interact. energy: -4.137 local terms energy: -865.364408 where: bonds (distance) C4'-P energy: -152.274 bonds (distance) P-C4' energy: -160.528 flat angles C4'-P-C4' energy: -178.051 flat angles P-C4'-P energy: -123.848 tors. eta vs tors. theta energy: -250.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -2756.325343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.325343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.325343 (E_RNA) where: Base-Base interactions energy: -1923.517 where: short stacking energy: -840.135 Base-Backbone interact. energy: -2.859 local terms energy: -829.949707 where: bonds (distance) C4'-P energy: -139.374 bonds (distance) P-C4' energy: -151.591 flat angles C4'-P-C4' energy: -175.077 flat angles P-C4'-P energy: -123.260 tors. eta vs tors. theta energy: -240.648 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: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -2693.398020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.398020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.398020 (E_RNA) where: Base-Base interactions energy: -1888.420 where: short stacking energy: -814.074 Base-Backbone interact. energy: -0.993 local terms energy: -803.984351 where: bonds (distance) C4'-P energy: -142.159 bonds (distance) P-C4' energy: -141.982 flat angles C4'-P-C4' energy: -187.454 flat angles P-C4'-P energy: -108.747 tors. eta vs tors. theta energy: -223.642 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: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -2527.592581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.592581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.592581 (E_RNA) where: Base-Base interactions energy: -1723.264 where: short stacking energy: -782.580 Base-Backbone interact. energy: -5.286 local terms energy: -799.042904 where: bonds (distance) C4'-P energy: -153.220 bonds (distance) P-C4' energy: -145.585 flat angles C4'-P-C4' energy: -180.826 flat angles P-C4'-P energy: -100.304 tors. eta vs tors. theta energy: -219.109 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: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -2445.267318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.267318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.267318 (E_RNA) where: Base-Base interactions energy: -1671.205 where: short stacking energy: -739.384 Base-Backbone interact. energy: -1.757 local terms energy: -772.305474 where: bonds (distance) C4'-P energy: -153.320 bonds (distance) P-C4' energy: -145.234 flat angles C4'-P-C4' energy: -142.865 flat angles P-C4'-P energy: -105.733 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: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -2110.722129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.722129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.722129 (E_RNA) where: Base-Base interactions energy: -1436.131 where: short stacking energy: -659.556 Base-Backbone interact. energy: -1.645 local terms energy: -672.945964 where: bonds (distance) C4'-P energy: -134.117 bonds (distance) P-C4' energy: -166.171 flat angles C4'-P-C4' energy: -149.192 flat angles P-C4'-P energy: -80.884 tors. eta vs tors. theta energy: -142.582 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: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1811.172874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.172874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.172874 (E_RNA) where: Base-Base interactions energy: -1211.284 where: short stacking energy: -540.575 Base-Backbone interact. energy: -1.125 local terms energy: -598.764111 where: bonds (distance) C4'-P energy: -121.350 bonds (distance) P-C4' energy: -127.603 flat angles C4'-P-C4' energy: -149.591 flat angles P-C4'-P energy: -84.521 tors. eta vs tors. theta energy: -115.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -1505.271466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.271466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.271466 (E_RNA) where: Base-Base interactions energy: -982.722 where: short stacking energy: -456.179 Base-Backbone interact. energy: 0.721 local terms energy: -523.269898 where: bonds (distance) C4'-P energy: -118.816 bonds (distance) P-C4' energy: -117.186 flat angles C4'-P-C4' energy: -137.552 flat angles P-C4'-P energy: -87.411 tors. eta vs tors. theta energy: -62.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -3064.281415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.281415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.281415 (E_RNA) where: Base-Base interactions energy: -2117.727 where: short stacking energy: -919.720 Base-Backbone interact. energy: 0.918 local terms energy: -947.472513 where: bonds (distance) C4'-P energy: -155.388 bonds (distance) P-C4' energy: -180.629 flat angles C4'-P-C4' energy: -207.362 flat angles P-C4'-P energy: -142.051 tors. eta vs tors. theta energy: -262.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2990.595769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.595769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.595769 (E_RNA) where: Base-Base interactions energy: -2091.273 where: short stacking energy: -888.430 Base-Backbone interact. energy: -2.075 local terms energy: -897.247471 where: bonds (distance) C4'-P energy: -153.849 bonds (distance) P-C4' energy: -167.381 flat angles C4'-P-C4' energy: -180.789 flat angles P-C4'-P energy: -131.062 tors. eta vs tors. theta energy: -264.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2902.340160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.340160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.340160 (E_RNA) where: Base-Base interactions energy: -2031.691 where: short stacking energy: -874.367 Base-Backbone interact. energy: -3.237 local terms energy: -867.412325 where: bonds (distance) C4'-P energy: -143.885 bonds (distance) P-C4' energy: -163.696 flat angles C4'-P-C4' energy: -177.535 flat angles P-C4'-P energy: -129.880 tors. eta vs tors. theta energy: -252.417 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: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2751.616714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.616714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.616714 (E_RNA) where: Base-Base interactions energy: -1899.904 where: short stacking energy: -842.583 Base-Backbone interact. energy: -1.697 local terms energy: -850.016072 where: bonds (distance) C4'-P energy: -153.473 bonds (distance) P-C4' energy: -155.733 flat angles C4'-P-C4' energy: -174.956 flat angles P-C4'-P energy: -127.342 tors. eta vs tors. theta energy: -238.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -2661.241404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.241404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.241404 (E_RNA) where: Base-Base interactions energy: -1888.092 where: short stacking energy: -829.705 Base-Backbone interact. energy: -4.372 local terms energy: -768.776854 where: bonds (distance) C4'-P energy: -127.787 bonds (distance) P-C4' energy: -133.818 flat angles C4'-P-C4' energy: -169.310 flat angles P-C4'-P energy: -93.595 tors. eta vs tors. theta energy: -244.266 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: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -2559.125995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.125995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.125995 (E_RNA) where: Base-Base interactions energy: -1723.642 where: short stacking energy: -772.497 Base-Backbone interact. energy: -0.181 local terms energy: -835.303387 where: bonds (distance) C4'-P energy: -151.702 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -182.899 flat angles P-C4'-P energy: -115.774 tors. eta vs tors. theta energy: -238.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -2378.202075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.202075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.202075 (E_RNA) where: Base-Base interactions energy: -1595.055 where: short stacking energy: -710.173 Base-Backbone interact. energy: -5.536 local terms energy: -777.610997 where: bonds (distance) C4'-P energy: -147.597 bonds (distance) P-C4' energy: -136.103 flat angles C4'-P-C4' energy: -182.747 flat angles P-C4'-P energy: -99.164 tors. eta vs tors. theta energy: -212.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -2198.190617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.190617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.190617 (E_RNA) where: Base-Base interactions energy: -1518.814 where: short stacking energy: -694.505 Base-Backbone interact. energy: 0.321 local terms energy: -679.698285 where: bonds (distance) C4'-P energy: -113.884 bonds (distance) P-C4' energy: -148.564 flat angles C4'-P-C4' energy: -150.569 flat angles P-C4'-P energy: -86.782 tors. eta vs tors. theta energy: -179.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1750.981809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.981809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.981809 (E_RNA) where: Base-Base interactions energy: -1172.629 where: short stacking energy: -523.236 Base-Backbone interact. energy: 1.466 local terms energy: -579.818102 where: bonds (distance) C4'-P energy: -104.337 bonds (distance) P-C4' energy: -134.328 flat angles C4'-P-C4' energy: -155.563 flat angles P-C4'-P energy: -68.197 tors. eta vs tors. theta energy: -117.392 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: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -1552.931314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.931314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.931314 (E_RNA) where: Base-Base interactions energy: -1051.809 where: short stacking energy: -463.903 Base-Backbone interact. energy: 2.753 local terms energy: -503.874779 where: bonds (distance) C4'-P energy: -124.910 bonds (distance) P-C4' energy: -107.249 flat angles C4'-P-C4' energy: -119.766 flat angles P-C4'-P energy: -72.736 tors. eta vs tors. theta energy: -79.214 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: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -3081.923061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.923061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.923061 (E_RNA) where: Base-Base interactions energy: -2139.973 where: short stacking energy: -934.551 Base-Backbone interact. energy: -8.092 local terms energy: -933.857954 where: bonds (distance) C4'-P energy: -166.609 bonds (distance) P-C4' energy: -169.054 flat angles C4'-P-C4' energy: -198.118 flat angles P-C4'-P energy: -124.807 tors. eta vs tors. theta energy: -275.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2963.552356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.552356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.552356 (E_RNA) where: Base-Base interactions energy: -2050.016 where: short stacking energy: -897.457 Base-Backbone interact. energy: -0.729 local terms energy: -912.807357 where: bonds (distance) C4'-P energy: -164.544 bonds (distance) P-C4' energy: -153.282 flat angles C4'-P-C4' energy: -186.692 flat angles P-C4'-P energy: -147.002 tors. eta vs tors. theta energy: -261.286 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: 2 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2879.781664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.781664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.781664 (E_RNA) where: Base-Base interactions energy: -2002.286 where: short stacking energy: -844.988 Base-Backbone interact. energy: -2.316 local terms energy: -875.179353 where: bonds (distance) C4'-P energy: -166.232 bonds (distance) P-C4' energy: -161.803 flat angles C4'-P-C4' energy: -192.324 flat angles P-C4'-P energy: -116.048 tors. eta vs tors. theta energy: -238.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2759.096867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.096867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.096867 (E_RNA) where: Base-Base interactions energy: -1905.188 where: short stacking energy: -846.565 Base-Backbone interact. energy: 0.400 local terms energy: -854.308708 where: bonds (distance) C4'-P energy: -147.225 bonds (distance) P-C4' energy: -147.450 flat angles C4'-P-C4' energy: -197.048 flat angles P-C4'-P energy: -110.228 tors. eta vs tors. theta energy: -252.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -2678.356105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.356105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.356105 (E_RNA) where: Base-Base interactions energy: -1860.514 where: short stacking energy: -804.656 Base-Backbone interact. energy: -1.147 local terms energy: -816.695079 where: bonds (distance) C4'-P energy: -144.568 bonds (distance) P-C4' energy: -145.257 flat angles C4'-P-C4' energy: -173.722 flat angles P-C4'-P energy: -112.933 tors. eta vs tors. theta energy: -240.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -2523.903643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.903643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.903643 (E_RNA) where: Base-Base interactions energy: -1748.308 where: short stacking energy: -745.425 Base-Backbone interact. energy: -1.006 local terms energy: -774.589384 where: bonds (distance) C4'-P energy: -141.765 bonds (distance) P-C4' energy: -151.830 flat angles C4'-P-C4' energy: -171.813 flat angles P-C4'-P energy: -95.558 tors. eta vs tors. theta energy: -213.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -2385.308694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.308694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.308694 (E_RNA) where: Base-Base interactions energy: -1599.002 where: short stacking energy: -713.132 Base-Backbone interact. energy: 0.566 local terms energy: -786.872497 where: bonds (distance) C4'-P energy: -162.125 bonds (distance) P-C4' energy: -145.677 flat angles C4'-P-C4' energy: -169.395 flat angles P-C4'-P energy: -101.894 tors. eta vs tors. theta energy: -207.782 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: 8, replica: 8 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -2139.880051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.880051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.880051 (E_RNA) where: Base-Base interactions energy: -1454.147 where: short stacking energy: -635.612 Base-Backbone interact. energy: -1.349 local terms energy: -684.384394 where: bonds (distance) C4'-P energy: -130.203 bonds (distance) P-C4' energy: -129.520 flat angles C4'-P-C4' energy: -160.238 flat angles P-C4'-P energy: -101.926 tors. eta vs tors. theta energy: -162.497 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: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1775.806399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.806399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.806399 (E_RNA) where: Base-Base interactions energy: -1182.191 where: short stacking energy: -527.080 Base-Backbone interact. energy: -3.365 local terms energy: -590.250883 where: bonds (distance) C4'-P energy: -119.876 bonds (distance) P-C4' energy: -145.271 flat angles C4'-P-C4' energy: -128.363 flat angles P-C4'-P energy: -79.256 tors. eta vs tors. theta energy: -117.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -1424.210239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.210239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.210239 (E_RNA) where: Base-Base interactions energy: -932.480 where: short stacking energy: -411.719 Base-Backbone interact. energy: -1.953 local terms energy: -489.777427 where: bonds (distance) C4'-P energy: -134.005 bonds (distance) P-C4' energy: -129.468 flat angles C4'-P-C4' energy: -127.686 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -54.671 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: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -3075.261408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.261408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.261408 (E_RNA) where: Base-Base interactions energy: -2130.436 where: short stacking energy: -934.306 Base-Backbone interact. energy: -2.137 local terms energy: -942.689056 where: bonds (distance) C4'-P energy: -169.269 bonds (distance) P-C4' energy: -182.844 flat angles C4'-P-C4' energy: -186.870 flat angles P-C4'-P energy: -134.417 tors. eta vs tors. theta energy: -269.289 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: 1 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2977.409598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.409598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.409598 (E_RNA) where: Base-Base interactions energy: -2084.775 where: short stacking energy: -897.845 Base-Backbone interact. energy: -2.561 local terms energy: -890.073015 where: bonds (distance) C4'-P energy: -165.325 bonds (distance) P-C4' energy: -169.783 flat angles C4'-P-C4' energy: -178.608 flat angles P-C4'-P energy: -111.460 tors. eta vs tors. theta energy: -264.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2876.722138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.722138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.722138 (E_RNA) where: Base-Base interactions energy: -2016.752 where: short stacking energy: -871.898 Base-Backbone interact. energy: -4.278 local terms energy: -855.691498 where: bonds (distance) C4'-P energy: -155.307 bonds (distance) P-C4' energy: -156.169 flat angles C4'-P-C4' energy: -184.345 flat angles P-C4'-P energy: -111.220 tors. eta vs tors. theta energy: -248.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -2804.233802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.233802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.233802 (E_RNA) where: Base-Base interactions energy: -1935.541 where: short stacking energy: -876.252 Base-Backbone interact. energy: -1.034 local terms energy: -867.658669 where: bonds (distance) C4'-P energy: -132.073 bonds (distance) P-C4' energy: -148.924 flat angles C4'-P-C4' energy: -192.224 flat angles P-C4'-P energy: -127.865 tors. eta vs tors. theta energy: -266.573 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: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -2681.303801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.303801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.303801 (E_RNA) where: Base-Base interactions energy: -1854.899 where: short stacking energy: -810.682 Base-Backbone interact. energy: -2.292 local terms energy: -824.112489 where: bonds (distance) C4'-P energy: -142.306 bonds (distance) P-C4' energy: -165.358 flat angles C4'-P-C4' energy: -164.839 flat angles P-C4'-P energy: -114.267 tors. eta vs tors. theta energy: -237.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -2555.492158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.492158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.492158 (E_RNA) where: Base-Base interactions energy: -1757.189 where: short stacking energy: -789.679 Base-Backbone interact. energy: -3.898 local terms energy: -794.405803 where: bonds (distance) C4'-P energy: -149.797 bonds (distance) P-C4' energy: -140.646 flat angles C4'-P-C4' energy: -170.312 flat angles P-C4'-P energy: -112.408 tors. eta vs tors. theta energy: -221.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -2396.498767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.498767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.498767 (E_RNA) where: Base-Base interactions energy: -1660.508 where: short stacking energy: -732.140 Base-Backbone interact. energy: -4.527 local terms energy: -731.463950 where: bonds (distance) C4'-P energy: -106.360 bonds (distance) P-C4' energy: -141.525 flat angles C4'-P-C4' energy: -159.886 flat angles P-C4'-P energy: -104.823 tors. eta vs tors. theta energy: -218.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -2126.041454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.041454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.041454 (E_RNA) where: Base-Base interactions energy: -1438.492 where: short stacking energy: -617.273 Base-Backbone interact. energy: -1.978 local terms energy: -685.571087 where: bonds (distance) C4'-P energy: -143.997 bonds (distance) P-C4' energy: -168.127 flat angles C4'-P-C4' energy: -127.099 flat angles P-C4'-P energy: -107.969 tors. eta vs tors. theta energy: -138.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1760.560531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.560531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.560531 (E_RNA) where: Base-Base interactions energy: -1169.252 where: short stacking energy: -502.618 Base-Backbone interact. energy: 6.353 local terms energy: -597.661756 where: bonds (distance) C4'-P energy: -114.897 bonds (distance) P-C4' energy: -128.084 flat angles C4'-P-C4' energy: -140.591 flat angles P-C4'-P energy: -109.970 tors. eta vs tors. theta energy: -104.120 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: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -1479.248841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.248841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.248841 (E_RNA) where: Base-Base interactions energy: -944.740 where: short stacking energy: -453.520 Base-Backbone interact. energy: -4.249 local terms energy: -530.259796 where: bonds (distance) C4'-P energy: -109.953 bonds (distance) P-C4' energy: -121.381 flat angles C4'-P-C4' energy: -116.525 flat angles P-C4'-P energy: -80.341 tors. eta vs tors. theta energy: -102.059 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: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -3096.079535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.079535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.079535 (E_RNA) where: Base-Base interactions energy: -2147.369 where: short stacking energy: -956.046 Base-Backbone interact. energy: -2.705 local terms energy: -946.005920 where: bonds (distance) C4'-P energy: -158.189 bonds (distance) P-C4' energy: -178.403 flat angles C4'-P-C4' energy: -197.926 flat angles P-C4'-P energy: -132.542 tors. eta vs tors. theta energy: -278.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2962.961488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.961488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.961488 (E_RNA) where: Base-Base interactions energy: -2055.476 where: short stacking energy: -906.995 Base-Backbone interact. energy: 0.105 local terms energy: -907.590884 where: bonds (distance) C4'-P energy: -161.964 bonds (distance) P-C4' energy: -159.991 flat angles C4'-P-C4' energy: -197.605 flat angles P-C4'-P energy: -129.058 tors. eta vs tors. theta energy: -258.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2857.366762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.366762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.366762 (E_RNA) where: Base-Base interactions energy: -2018.109 where: short stacking energy: -895.773 Base-Backbone interact. energy: -1.043 local terms energy: -838.215054 where: bonds (distance) C4'-P energy: -142.458 bonds (distance) P-C4' energy: -146.189 flat angles C4'-P-C4' energy: -174.562 flat angles P-C4'-P energy: -117.778 tors. eta vs tors. theta energy: -257.227 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: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2783.511722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.511722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.511722 (E_RNA) where: Base-Base interactions energy: -1942.153 where: short stacking energy: -869.743 Base-Backbone interact. energy: -2.124 local terms energy: -839.234334 where: bonds (distance) C4'-P energy: -131.962 bonds (distance) P-C4' energy: -139.954 flat angles C4'-P-C4' energy: -183.271 flat angles P-C4'-P energy: -129.097 tors. eta vs tors. theta energy: -254.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -2696.079663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.079663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.079663 (E_RNA) where: Base-Base interactions energy: -1884.410 where: short stacking energy: -821.166 Base-Backbone interact. energy: -0.216 local terms energy: -811.453526 where: bonds (distance) C4'-P energy: -149.208 bonds (distance) P-C4' energy: -140.938 flat angles C4'-P-C4' energy: -164.957 flat angles P-C4'-P energy: -102.781 tors. eta vs tors. theta energy: -253.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -2521.923135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.923135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.923135 (E_RNA) where: Base-Base interactions energy: -1745.857 where: short stacking energy: -745.295 Base-Backbone interact. energy: 0.371 local terms energy: -776.436784 where: bonds (distance) C4'-P energy: -143.982 bonds (distance) P-C4' energy: -142.863 flat angles C4'-P-C4' energy: -167.790 flat angles P-C4'-P energy: -123.137 tors. eta vs tors. theta energy: -198.665 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: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -2350.229020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.229020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.229020 (E_RNA) where: Base-Base interactions energy: -1593.882 where: short stacking energy: -697.900 Base-Backbone interact. energy: -0.732 local terms energy: -755.614325 where: bonds (distance) C4'-P energy: -112.003 bonds (distance) P-C4' energy: -151.582 flat angles C4'-P-C4' energy: -163.470 flat angles P-C4'-P energy: -120.188 tors. eta vs tors. theta energy: -208.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -2175.011293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.011293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.011293 (E_RNA) where: Base-Base interactions energy: -1485.753 where: short stacking energy: -659.395 Base-Backbone interact. energy: 3.399 local terms energy: -692.656771 where: bonds (distance) C4'-P energy: -123.421 bonds (distance) P-C4' energy: -139.645 flat angles C4'-P-C4' energy: -157.223 flat angles P-C4'-P energy: -106.827 tors. eta vs tors. theta energy: -165.540 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: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1795.191853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.191853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.191853 (E_RNA) where: Base-Base interactions energy: -1204.778 where: short stacking energy: -519.305 Base-Backbone interact. energy: -0.256 local terms energy: -590.157549 where: bonds (distance) C4'-P energy: -129.368 bonds (distance) P-C4' energy: -129.433 flat angles C4'-P-C4' energy: -141.479 flat angles P-C4'-P energy: -79.992 tors. eta vs tors. theta energy: -109.885 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: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -1501.788021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.788021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.788021 (E_RNA) where: Base-Base interactions energy: -985.335 where: short stacking energy: -442.857 Base-Backbone interact. energy: -0.753 local terms energy: -515.699600 where: bonds (distance) C4'-P energy: -108.610 bonds (distance) P-C4' energy: -132.680 flat angles C4'-P-C4' energy: -130.801 flat angles P-C4'-P energy: -65.177 tors. eta vs tors. theta energy: -78.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -3084.001327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.001327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.001327 (E_RNA) where: Base-Base interactions energy: -2166.968 where: short stacking energy: -929.113 Base-Backbone interact. energy: -2.908 local terms energy: -914.126034 where: bonds (distance) C4'-P energy: -157.296 bonds (distance) P-C4' energy: -162.502 flat angles C4'-P-C4' energy: -195.030 flat angles P-C4'-P energy: -129.991 tors. eta vs tors. theta energy: -269.307 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: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2975.232007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.232007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.232007 (E_RNA) where: Base-Base interactions energy: -2060.260 where: short stacking energy: -888.528 Base-Backbone interact. energy: -5.683 local terms energy: -909.288316 where: bonds (distance) C4'-P energy: -151.380 bonds (distance) P-C4' energy: -158.881 flat angles C4'-P-C4' energy: -198.037 flat angles P-C4'-P energy: -130.712 tors. eta vs tors. theta energy: -270.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2882.528701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.528701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.528701 (E_RNA) where: Base-Base interactions energy: -1964.000 where: short stacking energy: -880.479 Base-Backbone interact. energy: -2.170 local terms energy: -916.358158 where: bonds (distance) C4'-P energy: -157.153 bonds (distance) P-C4' energy: -170.578 flat angles C4'-P-C4' energy: -194.168 flat angles P-C4'-P energy: -128.598 tors. eta vs tors. theta energy: -265.861 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: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2787.813262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.813262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.813262 (E_RNA) where: Base-Base interactions energy: -1956.324 where: short stacking energy: -838.245 Base-Backbone interact. energy: -4.290 local terms energy: -827.199141 where: bonds (distance) C4'-P energy: -138.898 bonds (distance) P-C4' energy: -146.298 flat angles C4'-P-C4' energy: -180.336 flat angles P-C4'-P energy: -123.528 tors. eta vs tors. theta energy: -238.139 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: 28 Temperature: 1.100000 Total energy: -2698.100492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.100492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.100492 (E_RNA) where: Base-Base interactions energy: -1879.499 where: short stacking energy: -839.415 Base-Backbone interact. energy: -2.907 local terms energy: -815.695235 where: bonds (distance) C4'-P energy: -141.775 bonds (distance) P-C4' energy: -136.058 flat angles C4'-P-C4' energy: -171.261 flat angles P-C4'-P energy: -114.833 tors. eta vs tors. theta energy: -251.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -2567.571400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.571400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.571400 (E_RNA) where: Base-Base interactions energy: -1746.081 where: short stacking energy: -746.153 Base-Backbone interact. energy: -1.103 local terms energy: -820.387668 where: bonds (distance) C4'-P energy: -159.513 bonds (distance) P-C4' energy: -150.002 flat angles C4'-P-C4' energy: -163.835 flat angles P-C4'-P energy: -115.693 tors. eta vs tors. theta energy: -231.344 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: 28 Temperature: 1.200000 Total energy: -2344.944800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.944800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.944800 (E_RNA) where: Base-Base interactions energy: -1586.695 where: short stacking energy: -704.752 Base-Backbone interact. energy: -3.666 local terms energy: -754.583288 where: bonds (distance) C4'-P energy: -137.141 bonds (distance) P-C4' energy: -129.096 flat angles C4'-P-C4' energy: -162.280 flat angles P-C4'-P energy: -123.351 tors. eta vs tors. theta energy: -202.716 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: 8 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -2191.926188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.926188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.926188 (E_RNA) where: Base-Base interactions energy: -1529.777 where: short stacking energy: -667.540 Base-Backbone interact. energy: 2.001 local terms energy: -664.150215 where: bonds (distance) C4'-P energy: -133.647 bonds (distance) P-C4' energy: -131.807 flat angles C4'-P-C4' energy: -161.449 flat angles P-C4'-P energy: -71.254 tors. eta vs tors. theta energy: -165.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1715.658399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.658399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.658399 (E_RNA) where: Base-Base interactions energy: -1086.060 where: short stacking energy: -504.644 Base-Backbone interact. energy: -6.158 local terms energy: -623.440697 where: bonds (distance) C4'-P energy: -135.327 bonds (distance) P-C4' energy: -156.303 flat angles C4'-P-C4' energy: -134.932 flat angles P-C4'-P energy: -88.338 tors. eta vs tors. theta energy: -108.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -1564.576488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.576488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.576488 (E_RNA) where: Base-Base interactions energy: -1015.212 where: short stacking energy: -460.463 Base-Backbone interact. energy: 2.058 local terms energy: -551.422185 where: bonds (distance) C4'-P energy: -123.864 bonds (distance) P-C4' energy: -116.918 flat angles C4'-P-C4' energy: -140.776 flat angles P-C4'-P energy: -87.671 tors. eta vs tors. theta energy: -82.194 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: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -3089.622869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.622869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.622869 (E_RNA) where: Base-Base interactions energy: -2167.348 where: short stacking energy: -941.299 Base-Backbone interact. energy: -3.948 local terms energy: -918.327239 where: bonds (distance) C4'-P energy: -156.048 bonds (distance) P-C4' energy: -159.038 flat angles C4'-P-C4' energy: -193.418 flat angles P-C4'-P energy: -127.331 tors. eta vs tors. theta energy: -282.493 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: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2966.738236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.738236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.738236 (E_RNA) where: Base-Base interactions energy: -2038.977 where: short stacking energy: -916.960 Base-Backbone interact. energy: -4.259 local terms energy: -923.502251 where: bonds (distance) C4'-P energy: -166.169 bonds (distance) P-C4' energy: -166.060 flat angles C4'-P-C4' energy: -198.107 flat angles P-C4'-P energy: -113.365 tors. eta vs tors. theta energy: -279.801 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: 4 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2898.676385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.676385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.676385 (E_RNA) where: Base-Base interactions energy: -1990.624 where: short stacking energy: -908.091 Base-Backbone interact. energy: -2.112 local terms energy: -905.939703 where: bonds (distance) C4'-P energy: -148.629 bonds (distance) P-C4' energy: -166.548 flat angles C4'-P-C4' energy: -194.183 flat angles P-C4'-P energy: -119.380 tors. eta vs tors. theta energy: -277.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2814.216650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.216650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.216650 (E_RNA) where: Base-Base interactions energy: -1987.650 where: short stacking energy: -842.191 Base-Backbone interact. energy: -1.713 local terms energy: -824.853923 where: bonds (distance) C4'-P energy: -143.503 bonds (distance) P-C4' energy: -155.808 flat angles C4'-P-C4' energy: -178.390 flat angles P-C4'-P energy: -105.491 tors. eta vs tors. theta energy: -241.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -2642.223405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.223405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.223405 (E_RNA) where: Base-Base interactions energy: -1848.620 where: short stacking energy: -791.264 Base-Backbone interact. energy: 1.171 local terms energy: -794.774616 where: bonds (distance) C4'-P energy: -142.757 bonds (distance) P-C4' energy: -141.102 flat angles C4'-P-C4' energy: -162.935 flat angles P-C4'-P energy: -110.450 tors. eta vs tors. theta energy: -237.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -2567.524239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.524239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.524239 (E_RNA) where: Base-Base interactions energy: -1758.763 where: short stacking energy: -793.818 Base-Backbone interact. energy: -2.340 local terms energy: -806.420684 where: bonds (distance) C4'-P energy: -148.513 bonds (distance) P-C4' energy: -150.213 flat angles C4'-P-C4' energy: -156.603 flat angles P-C4'-P energy: -111.578 tors. eta vs tors. theta energy: -239.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -2310.710207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.710207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.710207 (E_RNA) where: Base-Base interactions energy: -1579.987 where: short stacking energy: -713.783 Base-Backbone interact. energy: -2.152 local terms energy: -728.571529 where: bonds (distance) C4'-P energy: -127.625 bonds (distance) P-C4' energy: -143.899 flat angles C4'-P-C4' energy: -152.554 flat angles P-C4'-P energy: -91.006 tors. eta vs tors. theta energy: -213.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -2180.716645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.716645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.716645 (E_RNA) where: Base-Base interactions energy: -1519.566 where: short stacking energy: -674.798 Base-Backbone interact. energy: 1.876 local terms energy: -663.026279 where: bonds (distance) C4'-P energy: -130.048 bonds (distance) P-C4' energy: -132.041 flat angles C4'-P-C4' energy: -139.816 flat angles P-C4'-P energy: -77.133 tors. eta vs tors. theta energy: -183.990 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: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1808.243718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.243718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.243718 (E_RNA) where: Base-Base interactions energy: -1222.793 where: short stacking energy: -541.445 Base-Backbone interact. energy: 0.095 local terms energy: -585.545860 where: bonds (distance) C4'-P energy: -109.064 bonds (distance) P-C4' energy: -122.437 flat angles C4'-P-C4' energy: -158.663 flat angles P-C4'-P energy: -85.381 tors. eta vs tors. theta energy: -110.001 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: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -1570.563851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.563851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.563851 (E_RNA) where: Base-Base interactions energy: -1025.270 where: short stacking energy: -457.067 Base-Backbone interact. energy: -1.126 local terms energy: -544.168057 where: bonds (distance) C4'-P energy: -133.556 bonds (distance) P-C4' energy: -135.023 flat angles C4'-P-C4' energy: -122.301 flat angles P-C4'-P energy: -64.166 tors. eta vs tors. theta energy: -89.121 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: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -3105.890509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.890509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.890509 (E_RNA) where: Base-Base interactions energy: -2169.935 where: short stacking energy: -908.438 Base-Backbone interact. energy: -7.506 local terms energy: -928.449088 where: bonds (distance) C4'-P energy: -156.697 bonds (distance) P-C4' energy: -169.374 flat angles C4'-P-C4' energy: -204.550 flat angles P-C4'-P energy: -127.540 tors. eta vs tors. theta energy: -270.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2965.126537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.126537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.126537 (E_RNA) where: Base-Base interactions energy: -2045.592 where: short stacking energy: -921.404 Base-Backbone interact. energy: -3.169 local terms energy: -916.365840 where: bonds (distance) C4'-P energy: -151.179 bonds (distance) P-C4' energy: -162.006 flat angles C4'-P-C4' energy: -196.679 flat angles P-C4'-P energy: -133.814 tors. eta vs tors. theta energy: -272.687 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: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2877.323775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.323775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.323775 (E_RNA) where: Base-Base interactions energy: -1983.415 where: short stacking energy: -897.759 Base-Backbone interact. energy: -3.254 local terms energy: -890.654110 where: bonds (distance) C4'-P energy: -141.321 bonds (distance) P-C4' energy: -156.346 flat angles C4'-P-C4' energy: -184.550 flat angles P-C4'-P energy: -136.276 tors. eta vs tors. theta energy: -272.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2821.372865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.372865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.372865 (E_RNA) where: Base-Base interactions energy: -1978.221 where: short stacking energy: -847.391 Base-Backbone interact. energy: 3.734 local terms energy: -846.886175 where: bonds (distance) C4'-P energy: -147.010 bonds (distance) P-C4' energy: -140.829 flat angles C4'-P-C4' energy: -175.313 flat angles P-C4'-P energy: -123.784 tors. eta vs tors. theta energy: -259.951 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: 30 Temperature: 1.100000 Total energy: -2639.939140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.939140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.939140 (E_RNA) where: Base-Base interactions energy: -1832.352 where: short stacking energy: -780.226 Base-Backbone interact. energy: -2.888 local terms energy: -804.698775 where: bonds (distance) C4'-P energy: -146.936 bonds (distance) P-C4' energy: -132.105 flat angles C4'-P-C4' energy: -180.981 flat angles P-C4'-P energy: -113.457 tors. eta vs tors. theta energy: -231.220 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: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -2495.036410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.036410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.036410 (E_RNA) where: Base-Base interactions energy: -1734.946 where: short stacking energy: -750.183 Base-Backbone interact. energy: -4.181 local terms energy: -755.909129 where: bonds (distance) C4'-P energy: -150.751 bonds (distance) P-C4' energy: -126.725 flat angles C4'-P-C4' energy: -169.259 flat angles P-C4'-P energy: -100.420 tors. eta vs tors. theta energy: -208.753 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: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -2344.425924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.425924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.425924 (E_RNA) where: Base-Base interactions energy: -1610.891 where: short stacking energy: -740.535 Base-Backbone interact. energy: -3.179 local terms energy: -730.355914 where: bonds (distance) C4'-P energy: -137.336 bonds (distance) P-C4' energy: -140.526 flat angles C4'-P-C4' energy: -143.323 flat angles P-C4'-P energy: -102.705 tors. eta vs tors. theta energy: -206.466 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: 8, replica: 8 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -2213.097044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.097044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.097044 (E_RNA) where: Base-Base interactions energy: -1513.585 where: short stacking energy: -676.000 Base-Backbone interact. energy: -1.296 local terms energy: -698.215898 where: bonds (distance) C4'-P energy: -141.609 bonds (distance) P-C4' energy: -148.957 flat angles C4'-P-C4' energy: -164.857 flat angles P-C4'-P energy: -67.287 tors. eta vs tors. theta energy: -175.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1726.974370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.974370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.974370 (E_RNA) where: Base-Base interactions energy: -1148.445 where: short stacking energy: -530.585 Base-Backbone interact. energy: 7.359 local terms energy: -585.888749 where: bonds (distance) C4'-P energy: -140.313 bonds (distance) P-C4' energy: -138.298 flat angles C4'-P-C4' energy: -129.488 flat angles P-C4'-P energy: -78.603 tors. eta vs tors. theta energy: -99.186 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: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -1494.452572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.452572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.452572 (E_RNA) where: Base-Base interactions energy: -936.881 where: short stacking energy: -464.819 Base-Backbone interact. energy: 0.272 local terms energy: -557.843373 where: bonds (distance) C4'-P energy: -106.284 bonds (distance) P-C4' energy: -141.904 flat angles C4'-P-C4' energy: -121.848 flat angles P-C4'-P energy: -95.168 tors. eta vs tors. theta energy: -92.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -3089.352402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.352402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.352402 (E_RNA) where: Base-Base interactions energy: -2160.334 where: short stacking energy: -944.764 Base-Backbone interact. energy: -1.719 local terms energy: -927.299422 where: bonds (distance) C4'-P energy: -160.442 bonds (distance) P-C4' energy: -157.382 flat angles C4'-P-C4' energy: -200.512 flat angles P-C4'-P energy: -124.334 tors. eta vs tors. theta energy: -284.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -3003.899955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.899955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.899955 (E_RNA) where: Base-Base interactions energy: -2106.279 where: short stacking energy: -921.955 Base-Backbone interact. energy: -3.550 local terms energy: -894.071204 where: bonds (distance) C4'-P energy: -147.000 bonds (distance) P-C4' energy: -145.972 flat angles C4'-P-C4' energy: -195.864 flat angles P-C4'-P energy: -125.604 tors. eta vs tors. theta energy: -279.631 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: 4 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2881.712041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.712041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.712041 (E_RNA) where: Base-Base interactions energy: -1995.146 where: short stacking energy: -893.237 Base-Backbone interact. energy: -5.915 local terms energy: -880.650728 where: bonds (distance) C4'-P energy: -156.455 bonds (distance) P-C4' energy: -134.059 flat angles C4'-P-C4' energy: -184.148 flat angles P-C4'-P energy: -137.521 tors. eta vs tors. theta energy: -268.468 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: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2782.527114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.527114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.527114 (E_RNA) where: Base-Base interactions energy: -1952.849 where: short stacking energy: -856.309 Base-Backbone interact. energy: -3.745 local terms energy: -825.932923 where: bonds (distance) C4'-P energy: -133.026 bonds (distance) P-C4' energy: -148.126 flat angles C4'-P-C4' energy: -173.678 flat angles P-C4'-P energy: -117.389 tors. eta vs tors. theta energy: -253.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -2630.977621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.977621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.977621 (E_RNA) where: Base-Base interactions energy: -1824.484 where: short stacking energy: -817.970 Base-Backbone interact. energy: -0.110 local terms energy: -806.382959 where: bonds (distance) C4'-P energy: -131.792 bonds (distance) P-C4' energy: -151.317 flat angles C4'-P-C4' energy: -166.901 flat angles P-C4'-P energy: -133.721 tors. eta vs tors. theta energy: -222.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -2494.256768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.256768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.256768 (E_RNA) where: Base-Base interactions energy: -1733.820 where: short stacking energy: -752.893 Base-Backbone interact. energy: 0.312 local terms energy: -760.748902 where: bonds (distance) C4'-P energy: -119.691 bonds (distance) P-C4' energy: -139.124 flat angles C4'-P-C4' energy: -180.002 flat angles P-C4'-P energy: -110.131 tors. eta vs tors. theta energy: -211.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -2385.773728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.773728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.773728 (E_RNA) where: Base-Base interactions energy: -1618.245 where: short stacking energy: -732.896 Base-Backbone interact. energy: 4.825 local terms energy: -772.353914 where: bonds (distance) C4'-P energy: -148.700 bonds (distance) P-C4' energy: -150.627 flat angles C4'-P-C4' energy: -157.060 flat angles P-C4'-P energy: -116.115 tors. eta vs tors. theta energy: -199.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -2272.744218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.744218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.744218 (E_RNA) where: Base-Base interactions energy: -1555.550 where: short stacking energy: -688.887 Base-Backbone interact. energy: -1.369 local terms energy: -715.824735 where: bonds (distance) C4'-P energy: -142.958 bonds (distance) P-C4' energy: -136.387 flat angles C4'-P-C4' energy: -158.298 flat angles P-C4'-P energy: -85.091 tors. eta vs tors. theta energy: -193.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1796.673076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.673076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.673076 (E_RNA) where: Base-Base interactions energy: -1156.372 where: short stacking energy: -531.550 Base-Backbone interact. energy: -0.554 local terms energy: -639.746725 where: bonds (distance) C4'-P energy: -142.576 bonds (distance) P-C4' energy: -131.445 flat angles C4'-P-C4' energy: -147.048 flat angles P-C4'-P energy: -88.476 tors. eta vs tors. theta energy: -130.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -1443.999388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.999388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.999388 (E_RNA) where: Base-Base interactions energy: -942.365 where: short stacking energy: -437.322 Base-Backbone interact. energy: 2.543 local terms energy: -504.176935 where: bonds (distance) C4'-P energy: -106.910 bonds (distance) P-C4' energy: -134.459 flat angles C4'-P-C4' energy: -135.583 flat angles P-C4'-P energy: -70.872 tors. eta vs tors. theta energy: -56.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -3116.715814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.715814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.715814 (E_RNA) where: Base-Base interactions energy: -2175.403 where: short stacking energy: -938.803 Base-Backbone interact. energy: -5.822 local terms energy: -935.490320 where: bonds (distance) C4'-P energy: -160.863 bonds (distance) P-C4' energy: -160.816 flat angles C4'-P-C4' energy: -195.684 flat angles P-C4'-P energy: -134.457 tors. eta vs tors. theta energy: -283.671 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: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2967.995387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.995387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.995387 (E_RNA) where: Base-Base interactions energy: -2073.006 where: short stacking energy: -912.169 Base-Backbone interact. energy: 0.711 local terms energy: -895.700295 where: bonds (distance) C4'-P energy: -155.526 bonds (distance) P-C4' energy: -161.555 flat angles C4'-P-C4' energy: -188.861 flat angles P-C4'-P energy: -119.082 tors. eta vs tors. theta energy: -270.676 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: 4 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2906.678465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.678465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.678465 (E_RNA) where: Base-Base interactions energy: -1998.495 where: short stacking energy: -926.501 Base-Backbone interact. energy: -3.914 local terms energy: -904.269308 where: bonds (distance) C4'-P energy: -157.820 bonds (distance) P-C4' energy: -165.751 flat angles C4'-P-C4' energy: -190.641 flat angles P-C4'-P energy: -119.680 tors. eta vs tors. theta energy: -270.377 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: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2804.676602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.676602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.676602 (E_RNA) where: Base-Base interactions energy: -1961.477 where: short stacking energy: -845.058 Base-Backbone interact. energy: -3.223 local terms energy: -839.976823 where: bonds (distance) C4'-P energy: -137.119 bonds (distance) P-C4' energy: -161.672 flat angles C4'-P-C4' energy: -173.760 flat angles P-C4'-P energy: -110.665 tors. eta vs tors. theta energy: -256.761 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: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2580.596207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.596207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.596207 (E_RNA) where: Base-Base interactions energy: -1767.797 where: short stacking energy: -785.132 Base-Backbone interact. energy: -1.125 local terms energy: -811.673424 where: bonds (distance) C4'-P energy: -152.113 bonds (distance) P-C4' energy: -151.707 flat angles C4'-P-C4' energy: -178.709 flat angles P-C4'-P energy: -112.640 tors. eta vs tors. theta energy: -216.504 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: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -2505.074563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.074563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.074563 (E_RNA) where: Base-Base interactions energy: -1762.178 where: short stacking energy: -761.484 Base-Backbone interact. energy: -3.363 local terms energy: -739.533449 where: bonds (distance) C4'-P energy: -119.490 bonds (distance) P-C4' energy: -140.864 flat angles C4'-P-C4' energy: -166.883 flat angles P-C4'-P energy: -97.698 tors. eta vs tors. theta energy: -214.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -2434.258118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.258118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.258118 (E_RNA) where: Base-Base interactions energy: -1650.275 where: short stacking energy: -737.765 Base-Backbone interact. energy: -4.289 local terms energy: -779.694470 where: bonds (distance) C4'-P energy: -153.486 bonds (distance) P-C4' energy: -126.556 flat angles C4'-P-C4' energy: -170.699 flat angles P-C4'-P energy: -105.081 tors. eta vs tors. theta energy: -223.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -2239.293519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.293519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.293519 (E_RNA) where: Base-Base interactions energy: -1529.678 where: short stacking energy: -670.348 Base-Backbone interact. energy: 1.425 local terms energy: -711.040456 where: bonds (distance) C4'-P energy: -134.462 bonds (distance) P-C4' energy: -146.581 flat angles C4'-P-C4' energy: -162.643 flat angles P-C4'-P energy: -80.726 tors. eta vs tors. theta energy: -186.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1767.718429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.718429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.718429 (E_RNA) where: Base-Base interactions energy: -1184.693 where: short stacking energy: -537.125 Base-Backbone interact. energy: -2.026 local terms energy: -580.998849 where: bonds (distance) C4'-P energy: -133.817 bonds (distance) P-C4' energy: -108.770 flat angles C4'-P-C4' energy: -131.579 flat angles P-C4'-P energy: -92.694 tors. eta vs tors. theta energy: -114.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -1504.877617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.877617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.877617 (E_RNA) where: Base-Base interactions energy: -979.854 where: short stacking energy: -459.255 Base-Backbone interact. energy: 2.750 local terms energy: -527.773458 where: bonds (distance) C4'-P energy: -111.592 bonds (distance) P-C4' energy: -113.516 flat angles C4'-P-C4' energy: -145.278 flat angles P-C4'-P energy: -71.467 tors. eta vs tors. theta energy: -85.921 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: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -3098.867822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.867822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.867822 (E_RNA) where: Base-Base interactions energy: -2135.797 where: short stacking energy: -938.046 Base-Backbone interact. energy: -6.584 local terms energy: -956.486248 where: bonds (distance) C4'-P energy: -168.194 bonds (distance) P-C4' energy: -177.605 flat angles C4'-P-C4' energy: -201.114 flat angles P-C4'-P energy: -134.284 tors. eta vs tors. theta energy: -275.289 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: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2961.754190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.754190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.754190 (E_RNA) where: Base-Base interactions energy: -2025.018 where: short stacking energy: -908.187 Base-Backbone interact. energy: -2.295 local terms energy: -934.441739 where: bonds (distance) C4'-P energy: -169.266 bonds (distance) P-C4' energy: -161.785 flat angles C4'-P-C4' energy: -198.742 flat angles P-C4'-P energy: -132.925 tors. eta vs tors. theta energy: -271.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2872.324099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.324099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.324099 (E_RNA) where: Base-Base interactions energy: -1994.409 where: short stacking energy: -917.729 Base-Backbone interact. energy: -0.890 local terms energy: -877.024670 where: bonds (distance) C4'-P energy: -156.410 bonds (distance) P-C4' energy: -152.314 flat angles C4'-P-C4' energy: -177.898 flat angles P-C4'-P energy: -113.599 tors. eta vs tors. theta energy: -276.804 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: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2774.516374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.516374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.516374 (E_RNA) where: Base-Base interactions energy: -1956.119 where: short stacking energy: -865.464 Base-Backbone interact. energy: -2.418 local terms energy: -815.979020 where: bonds (distance) C4'-P energy: -106.430 bonds (distance) P-C4' energy: -165.470 flat angles C4'-P-C4' energy: -170.054 flat angles P-C4'-P energy: -125.081 tors. eta vs tors. theta energy: -248.944 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: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2555.326682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.326682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.326682 (E_RNA) where: Base-Base interactions energy: -1758.361 where: short stacking energy: -783.677 Base-Backbone interact. energy: -0.710 local terms energy: -796.254819 where: bonds (distance) C4'-P energy: -147.932 bonds (distance) P-C4' energy: -124.428 flat angles C4'-P-C4' energy: -179.694 flat angles P-C4'-P energy: -125.034 tors. eta vs tors. theta energy: -219.167 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: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -2502.343993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.343993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.343993 (E_RNA) where: Base-Base interactions energy: -1744.444 where: short stacking energy: -777.685 Base-Backbone interact. energy: -2.997 local terms energy: -754.903914 where: bonds (distance) C4'-P energy: -137.361 bonds (distance) P-C4' energy: -139.808 flat angles C4'-P-C4' energy: -168.449 flat angles P-C4'-P energy: -87.213 tors. eta vs tors. theta energy: -222.073 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: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -2411.384368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.384368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.384368 (E_RNA) where: Base-Base interactions energy: -1653.312 where: short stacking energy: -734.875 Base-Backbone interact. energy: -2.359 local terms energy: -755.713164 where: bonds (distance) C4'-P energy: -149.149 bonds (distance) P-C4' energy: -146.323 flat angles C4'-P-C4' energy: -155.783 flat angles P-C4'-P energy: -97.971 tors. eta vs tors. theta energy: -206.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -2273.512476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.512476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.512476 (E_RNA) where: Base-Base interactions energy: -1564.704 where: short stacking energy: -691.787 Base-Backbone interact. energy: -4.223 local terms energy: -704.585000 where: bonds (distance) C4'-P energy: -120.763 bonds (distance) P-C4' energy: -123.261 flat angles C4'-P-C4' energy: -166.198 flat angles P-C4'-P energy: -101.138 tors. eta vs tors. theta energy: -193.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1779.581062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.581062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.581062 (E_RNA) where: Base-Base interactions energy: -1165.599 where: short stacking energy: -508.145 Base-Backbone interact. energy: -1.220 local terms energy: -612.762299 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -135.630 flat angles C4'-P-C4' energy: -137.519 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -107.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1511.832548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.832548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.832548 (E_RNA) where: Base-Base interactions energy: -979.829 where: short stacking energy: -440.795 Base-Backbone interact. energy: -2.994 local terms energy: -529.010014 where: bonds (distance) C4'-P energy: -122.515 bonds (distance) P-C4' energy: -127.929 flat angles C4'-P-C4' energy: -135.521 flat angles P-C4'-P energy: -66.644 tors. eta vs tors. theta energy: -76.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -3093.261348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.261348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.261348 (E_RNA) where: Base-Base interactions energy: -2156.556 where: short stacking energy: -923.816 Base-Backbone interact. energy: -2.027 local terms energy: -934.679087 where: bonds (distance) C4'-P energy: -164.987 bonds (distance) P-C4' energy: -168.235 flat angles C4'-P-C4' energy: -195.345 flat angles P-C4'-P energy: -121.337 tors. eta vs tors. theta energy: -284.776 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: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -3026.608329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.608329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.608329 (E_RNA) where: Base-Base interactions energy: -2109.875 where: short stacking energy: -918.152 Base-Backbone interact. energy: -4.861 local terms energy: -911.872372 where: bonds (distance) C4'-P energy: -147.816 bonds (distance) P-C4' energy: -159.953 flat angles C4'-P-C4' energy: -200.153 flat angles P-C4'-P energy: -135.745 tors. eta vs tors. theta energy: -268.205 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: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2920.892390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.892390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.892390 (E_RNA) where: Base-Base interactions energy: -2009.428 where: short stacking energy: -897.656 Base-Backbone interact. energy: -3.289 local terms energy: -908.175249 where: bonds (distance) C4'-P energy: -155.564 bonds (distance) P-C4' energy: -166.457 flat angles C4'-P-C4' energy: -193.901 flat angles P-C4'-P energy: -121.758 tors. eta vs tors. theta energy: -270.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2800.772587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.772587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.772587 (E_RNA) where: Base-Base interactions energy: -1982.955 where: short stacking energy: -873.311 Base-Backbone interact. energy: 0.267 local terms energy: -818.084565 where: bonds (distance) C4'-P energy: -135.022 bonds (distance) P-C4' energy: -141.370 flat angles C4'-P-C4' energy: -169.764 flat angles P-C4'-P energy: -125.537 tors. eta vs tors. theta energy: -246.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2645.731651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.731651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.731651 (E_RNA) where: Base-Base interactions energy: -1837.420 where: short stacking energy: -830.310 Base-Backbone interact. energy: -2.826 local terms energy: -805.486119 where: bonds (distance) C4'-P energy: -140.944 bonds (distance) P-C4' energy: -155.161 flat angles C4'-P-C4' energy: -162.775 flat angles P-C4'-P energy: -112.053 tors. eta vs tors. theta energy: -234.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -2547.100835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.100835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.100835 (E_RNA) where: Base-Base interactions energy: -1758.759 where: short stacking energy: -781.723 Base-Backbone interact. energy: -3.637 local terms energy: -784.705024 where: bonds (distance) C4'-P energy: -120.744 bonds (distance) P-C4' energy: -148.602 flat angles C4'-P-C4' energy: -176.955 flat angles P-C4'-P energy: -105.534 tors. eta vs tors. theta energy: -232.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -2364.317561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.317561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.317561 (E_RNA) where: Base-Base interactions energy: -1623.590 where: short stacking energy: -694.727 Base-Backbone interact. energy: -3.082 local terms energy: -737.645992 where: bonds (distance) C4'-P energy: -134.014 bonds (distance) P-C4' energy: -150.101 flat angles C4'-P-C4' energy: -164.520 flat angles P-C4'-P energy: -109.926 tors. eta vs tors. theta energy: -179.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -2200.367041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.367041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.367041 (E_RNA) where: Base-Base interactions energy: -1501.198 where: short stacking energy: -701.259 Base-Backbone interact. energy: -0.926 local terms energy: -698.242847 where: bonds (distance) C4'-P energy: -129.591 bonds (distance) P-C4' energy: -135.224 flat angles C4'-P-C4' energy: -154.598 flat angles P-C4'-P energy: -80.684 tors. eta vs tors. theta energy: -198.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1821.210234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.210234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.210234 (E_RNA) where: Base-Base interactions energy: -1209.021 where: short stacking energy: -546.455 Base-Backbone interact. energy: 0.361 local terms energy: -612.551205 where: bonds (distance) C4'-P energy: -127.881 bonds (distance) P-C4' energy: -123.912 flat angles C4'-P-C4' energy: -139.487 flat angles P-C4'-P energy: -91.827 tors. eta vs tors. theta energy: -129.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -1462.922791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.922791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.922791 (E_RNA) where: Base-Base interactions energy: -940.070 where: short stacking energy: -448.161 Base-Backbone interact. energy: 5.938 local terms energy: -528.791138 where: bonds (distance) C4'-P energy: -113.822 bonds (distance) P-C4' energy: -145.355 flat angles C4'-P-C4' energy: -132.539 flat angles P-C4'-P energy: -65.870 tors. eta vs tors. theta energy: -71.205 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: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -3078.574056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.574056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.574056 (E_RNA) where: Base-Base interactions energy: -2151.009 where: short stacking energy: -940.442 Base-Backbone interact. energy: -4.814 local terms energy: -922.750765 where: bonds (distance) C4'-P energy: -157.728 bonds (distance) P-C4' energy: -170.033 flat angles C4'-P-C4' energy: -186.605 flat angles P-C4'-P energy: -131.883 tors. eta vs tors. theta energy: -276.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2960.878479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.878479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.878479 (E_RNA) where: Base-Base interactions energy: -2060.538 where: short stacking energy: -899.949 Base-Backbone interact. energy: -2.121 local terms energy: -898.219469 where: bonds (distance) C4'-P energy: -160.986 bonds (distance) P-C4' energy: -157.626 flat angles C4'-P-C4' energy: -184.729 flat angles P-C4'-P energy: -133.192 tors. eta vs tors. theta energy: -261.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2860.356518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.356518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.356518 (E_RNA) where: Base-Base interactions energy: -1968.538 where: short stacking energy: -881.216 Base-Backbone interact. energy: -2.575 local terms energy: -889.243547 where: bonds (distance) C4'-P energy: -148.393 bonds (distance) P-C4' energy: -162.496 flat angles C4'-P-C4' energy: -188.484 flat angles P-C4'-P energy: -130.766 tors. eta vs tors. theta energy: -259.104 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: 35 Temperature: 1.050000 Total energy: -2766.084398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.084398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.084398 (E_RNA) where: Base-Base interactions energy: -1908.848 where: short stacking energy: -794.006 Base-Backbone interact. energy: -2.935 local terms energy: -854.301797 where: bonds (distance) C4'-P energy: -160.047 bonds (distance) P-C4' energy: -153.617 flat angles C4'-P-C4' energy: -179.509 flat angles P-C4'-P energy: -115.908 tors. eta vs tors. theta energy: -245.221 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: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2657.503449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.503449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.503449 (E_RNA) where: Base-Base interactions energy: -1851.516 where: short stacking energy: -841.306 Base-Backbone interact. energy: -2.003 local terms energy: -803.984354 where: bonds (distance) C4'-P energy: -131.210 bonds (distance) P-C4' energy: -146.274 flat angles C4'-P-C4' energy: -174.578 flat angles P-C4'-P energy: -106.414 tors. eta vs tors. theta energy: -245.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -2578.199591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.199591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.199591 (E_RNA) where: Base-Base interactions energy: -1799.410 where: short stacking energy: -796.709 Base-Backbone interact. energy: 1.328 local terms energy: -780.117714 where: bonds (distance) C4'-P energy: -139.897 bonds (distance) P-C4' energy: -145.459 flat angles C4'-P-C4' energy: -173.478 flat angles P-C4'-P energy: -98.405 tors. eta vs tors. theta energy: -222.880 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: 7, replica: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -2303.512751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.512751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.512751 (E_RNA) where: Base-Base interactions energy: -1582.790 where: short stacking energy: -700.876 Base-Backbone interact. energy: 2.670 local terms energy: -723.392819 where: bonds (distance) C4'-P energy: -141.615 bonds (distance) P-C4' energy: -141.470 flat angles C4'-P-C4' energy: -170.922 flat angles P-C4'-P energy: -92.840 tors. eta vs tors. theta energy: -176.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -2223.696660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.696660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.696660 (E_RNA) where: Base-Base interactions energy: -1523.170 where: short stacking energy: -654.317 Base-Backbone interact. energy: -2.543 local terms energy: -697.983379 where: bonds (distance) C4'-P energy: -122.527 bonds (distance) P-C4' energy: -126.743 flat angles C4'-P-C4' energy: -154.503 flat angles P-C4'-P energy: -118.995 tors. eta vs tors. theta energy: -175.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1832.899243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.899243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.899243 (E_RNA) where: Base-Base interactions energy: -1233.689 where: short stacking energy: -551.133 Base-Backbone interact. energy: -1.473 local terms energy: -597.737137 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -129.706 flat angles C4'-P-C4' energy: -119.886 flat angles P-C4'-P energy: -102.721 tors. eta vs tors. theta energy: -112.522 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: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1420.238482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.238482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.238482 (E_RNA) where: Base-Base interactions energy: -907.407 where: short stacking energy: -417.106 Base-Backbone interact. energy: -0.939 local terms energy: -511.892818 where: bonds (distance) C4'-P energy: -119.225 bonds (distance) P-C4' energy: -136.530 flat angles C4'-P-C4' energy: -123.951 flat angles P-C4'-P energy: -69.581 tors. eta vs tors. theta energy: -62.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -3092.969148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.969148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.969148 (E_RNA) where: Base-Base interactions energy: -2153.875 where: short stacking energy: -932.576 Base-Backbone interact. energy: -6.187 local terms energy: -932.907490 where: bonds (distance) C4'-P energy: -160.037 bonds (distance) P-C4' energy: -178.622 flat angles C4'-P-C4' energy: -199.055 flat angles P-C4'-P energy: -128.420 tors. eta vs tors. theta energy: -266.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2994.895972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.895972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.895972 (E_RNA) where: Base-Base interactions energy: -2098.654 where: short stacking energy: -913.887 Base-Backbone interact. energy: -1.875 local terms energy: -894.367391 where: bonds (distance) C4'-P energy: -162.732 bonds (distance) P-C4' energy: -158.653 flat angles C4'-P-C4' energy: -183.675 flat angles P-C4'-P energy: -127.017 tors. eta vs tors. theta energy: -262.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2891.254638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.254638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.254638 (E_RNA) where: Base-Base interactions energy: -1971.383 where: short stacking energy: -878.019 Base-Backbone interact. energy: -2.003 local terms energy: -917.868807 where: bonds (distance) C4'-P energy: -165.185 bonds (distance) P-C4' energy: -171.940 flat angles C4'-P-C4' energy: -187.380 flat angles P-C4'-P energy: -130.623 tors. eta vs tors. theta energy: -262.740 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: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2786.951716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.951716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.951716 (E_RNA) where: Base-Base interactions energy: -1929.847 where: short stacking energy: -832.644 Base-Backbone interact. energy: -1.430 local terms energy: -855.674353 where: bonds (distance) C4'-P energy: -139.378 bonds (distance) P-C4' energy: -152.327 flat angles C4'-P-C4' energy: -184.904 flat angles P-C4'-P energy: -127.364 tors. eta vs tors. theta energy: -251.702 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: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2658.318981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.318981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.318981 (E_RNA) where: Base-Base interactions energy: -1815.976 where: short stacking energy: -824.029 Base-Backbone interact. energy: -3.340 local terms energy: -839.003759 where: bonds (distance) C4'-P energy: -143.146 bonds (distance) P-C4' energy: -153.529 flat angles C4'-P-C4' energy: -176.729 flat angles P-C4'-P energy: -130.454 tors. eta vs tors. theta energy: -235.146 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: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -2519.588202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.588202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.588202 (E_RNA) where: Base-Base interactions energy: -1760.982 where: short stacking energy: -733.658 Base-Backbone interact. energy: -1.610 local terms energy: -756.996072 where: bonds (distance) C4'-P energy: -138.519 bonds (distance) P-C4' energy: -143.705 flat angles C4'-P-C4' energy: -154.708 flat angles P-C4'-P energy: -100.705 tors. eta vs tors. theta energy: -219.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -2271.868380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.868380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.868380 (E_RNA) where: Base-Base interactions energy: -1578.590 where: short stacking energy: -690.545 Base-Backbone interact. energy: 2.154 local terms energy: -695.432471 where: bonds (distance) C4'-P energy: -142.311 bonds (distance) P-C4' energy: -133.405 flat angles C4'-P-C4' energy: -150.222 flat angles P-C4'-P energy: -86.022 tors. eta vs tors. theta energy: -183.472 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: 8 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -2195.002372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.002372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.002372 (E_RNA) where: Base-Base interactions energy: -1464.092 where: short stacking energy: -695.163 Base-Backbone interact. energy: -3.257 local terms energy: -727.654056 where: bonds (distance) C4'-P energy: -143.933 bonds (distance) P-C4' energy: -146.664 flat angles C4'-P-C4' energy: -155.521 flat angles P-C4'-P energy: -108.006 tors. eta vs tors. theta energy: -173.530 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: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1857.189279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.189279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.189279 (E_RNA) where: Base-Base interactions energy: -1247.850 where: short stacking energy: -535.866 Base-Backbone interact. energy: 1.745 local terms energy: -611.084551 where: bonds (distance) C4'-P energy: -138.400 bonds (distance) P-C4' energy: -124.613 flat angles C4'-P-C4' energy: -149.737 flat angles P-C4'-P energy: -78.598 tors. eta vs tors. theta energy: -119.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1447.413842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.413842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.413842 (E_RNA) where: Base-Base interactions energy: -924.571 where: short stacking energy: -433.530 Base-Backbone interact. energy: 1.417 local terms energy: -524.259999 where: bonds (distance) C4'-P energy: -140.946 bonds (distance) P-C4' energy: -126.073 flat angles C4'-P-C4' energy: -107.573 flat angles P-C4'-P energy: -84.079 tors. eta vs tors. theta energy: -65.588 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: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -3091.062627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.062627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.062627 (E_RNA) where: Base-Base interactions energy: -2147.293 where: short stacking energy: -907.731 Base-Backbone interact. energy: -4.976 local terms energy: -938.793303 where: bonds (distance) C4'-P energy: -159.393 bonds (distance) P-C4' energy: -181.261 flat angles C4'-P-C4' energy: -196.826 flat angles P-C4'-P energy: -133.099 tors. eta vs tors. theta energy: -268.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -3014.318751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.318751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.318751 (E_RNA) where: Base-Base interactions energy: -2078.473 where: short stacking energy: -922.560 Base-Backbone interact. energy: -4.731 local terms energy: -931.115412 where: bonds (distance) C4'-P energy: -152.228 bonds (distance) P-C4' energy: -170.667 flat angles C4'-P-C4' energy: -199.214 flat angles P-C4'-P energy: -135.350 tors. eta vs tors. theta energy: -273.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2895.089733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.089733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.089733 (E_RNA) where: Base-Base interactions energy: -2011.833 where: short stacking energy: -900.153 Base-Backbone interact. energy: -4.576 local terms energy: -878.680409 where: bonds (distance) C4'-P energy: -147.691 bonds (distance) P-C4' energy: -150.845 flat angles C4'-P-C4' energy: -187.485 flat angles P-C4'-P energy: -127.216 tors. eta vs tors. theta energy: -265.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2732.534887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.534887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.534887 (E_RNA) where: Base-Base interactions energy: -1908.205 where: short stacking energy: -839.440 Base-Backbone interact. energy: 0.585 local terms energy: -824.915553 where: bonds (distance) C4'-P energy: -157.913 bonds (distance) P-C4' energy: -144.747 flat angles C4'-P-C4' energy: -175.123 flat angles P-C4'-P energy: -112.763 tors. eta vs tors. theta energy: -234.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2653.374751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.374751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.374751 (E_RNA) where: Base-Base interactions energy: -1802.513 where: short stacking energy: -814.588 Base-Backbone interact. energy: 0.114 local terms energy: -850.975783 where: bonds (distance) C4'-P energy: -168.164 bonds (distance) P-C4' energy: -145.232 flat angles C4'-P-C4' energy: -175.953 flat angles P-C4'-P energy: -121.859 tors. eta vs tors. theta energy: -239.768 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: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -2508.245417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.245417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.245417 (E_RNA) where: Base-Base interactions energy: -1752.488 where: short stacking energy: -786.811 Base-Backbone interact. energy: 2.249 local terms energy: -758.006573 where: bonds (distance) C4'-P energy: -135.035 bonds (distance) P-C4' energy: -137.590 flat angles C4'-P-C4' energy: -155.819 flat angles P-C4'-P energy: -110.316 tors. eta vs tors. theta energy: -219.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -2277.628375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.628375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.628375 (E_RNA) where: Base-Base interactions energy: -1576.619 where: short stacking energy: -688.685 Base-Backbone interact. energy: -1.265 local terms energy: -699.744023 where: bonds (distance) C4'-P energy: -111.269 bonds (distance) P-C4' energy: -142.228 flat angles C4'-P-C4' energy: -159.734 flat angles P-C4'-P energy: -96.490 tors. eta vs tors. theta energy: -190.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -2074.563973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.563973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.563973 (E_RNA) where: Base-Base interactions energy: -1410.686 where: short stacking energy: -638.431 Base-Backbone interact. energy: 1.278 local terms energy: -665.156006 where: bonds (distance) C4'-P energy: -134.991 bonds (distance) P-C4' energy: -117.398 flat angles C4'-P-C4' energy: -146.922 flat angles P-C4'-P energy: -99.388 tors. eta vs tors. theta energy: -166.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1942.621007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.621007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.621007 (E_RNA) where: Base-Base interactions energy: -1273.028 where: short stacking energy: -546.023 Base-Backbone interact. energy: -0.056 local terms energy: -669.536904 where: bonds (distance) C4'-P energy: -133.497 bonds (distance) P-C4' energy: -144.981 flat angles C4'-P-C4' energy: -157.543 flat angles P-C4'-P energy: -101.178 tors. eta vs tors. theta energy: -132.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1552.589510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.589510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.589510 (E_RNA) where: Base-Base interactions energy: -981.944 where: short stacking energy: -447.902 Base-Backbone interact. energy: -0.446 local terms energy: -570.199400 where: bonds (distance) C4'-P energy: -121.010 bonds (distance) P-C4' energy: -139.730 flat angles C4'-P-C4' energy: -140.662 flat angles P-C4'-P energy: -85.290 tors. eta vs tors. theta energy: -83.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -3091.060738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.060738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.060738 (E_RNA) where: Base-Base interactions energy: -2179.556 where: short stacking energy: -931.195 Base-Backbone interact. energy: -0.761 local terms energy: -910.744169 where: bonds (distance) C4'-P energy: -155.325 bonds (distance) P-C4' energy: -159.571 flat angles C4'-P-C4' energy: -195.128 flat angles P-C4'-P energy: -134.154 tors. eta vs tors. theta energy: -266.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2962.821624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.821624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.821624 (E_RNA) where: Base-Base interactions energy: -2055.606 where: short stacking energy: -906.630 Base-Backbone interact. energy: -2.347 local terms energy: -904.868601 where: bonds (distance) C4'-P energy: -167.373 bonds (distance) P-C4' energy: -145.805 flat angles C4'-P-C4' energy: -191.507 flat angles P-C4'-P energy: -128.565 tors. eta vs tors. theta energy: -271.618 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: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2901.815478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.815478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.815478 (E_RNA) where: Base-Base interactions energy: -2029.688 where: short stacking energy: -919.877 Base-Backbone interact. energy: -0.801 local terms energy: -871.327069 where: bonds (distance) C4'-P energy: -152.158 bonds (distance) P-C4' energy: -147.687 flat angles C4'-P-C4' energy: -182.637 flat angles P-C4'-P energy: -128.187 tors. eta vs tors. theta energy: -260.657 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: 38 Temperature: 1.050000 Total energy: -2768.812291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.812291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.812291 (E_RNA) where: Base-Base interactions energy: -1939.441 where: short stacking energy: -851.501 Base-Backbone interact. energy: 4.843 local terms energy: -834.214361 where: bonds (distance) C4'-P energy: -143.452 bonds (distance) P-C4' energy: -140.252 flat angles C4'-P-C4' energy: -183.541 flat angles P-C4'-P energy: -115.247 tors. eta vs tors. theta energy: -251.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2617.593408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.593408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.593408 (E_RNA) where: Base-Base interactions energy: -1798.958 where: short stacking energy: -780.167 Base-Backbone interact. energy: 0.030 local terms energy: -818.665265 where: bonds (distance) C4'-P energy: -147.761 bonds (distance) P-C4' energy: -152.624 flat angles C4'-P-C4' energy: -168.443 flat angles P-C4'-P energy: -117.319 tors. eta vs tors. theta energy: -232.518 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: 38 Temperature: 1.150000 Total energy: -2519.134726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.134726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.134726 (E_RNA) where: Base-Base interactions energy: -1745.689 where: short stacking energy: -787.543 Base-Backbone interact. energy: 0.128 local terms energy: -773.573322 where: bonds (distance) C4'-P energy: -153.571 bonds (distance) P-C4' energy: -130.986 flat angles C4'-P-C4' energy: -169.665 flat angles P-C4'-P energy: -108.421 tors. eta vs tors. theta energy: -210.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -2279.679266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.679266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.679266 (E_RNA) where: Base-Base interactions energy: -1604.025 where: short stacking energy: -704.442 Base-Backbone interact. energy: -0.628 local terms energy: -675.026944 where: bonds (distance) C4'-P energy: -132.195 bonds (distance) P-C4' energy: -129.714 flat angles C4'-P-C4' energy: -148.385 flat angles P-C4'-P energy: -88.806 tors. eta vs tors. theta energy: -175.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -2036.117464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.117464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.117464 (E_RNA) where: Base-Base interactions energy: -1347.765 where: short stacking energy: -618.223 Base-Backbone interact. energy: -0.833 local terms energy: -687.519797 where: bonds (distance) C4'-P energy: -130.808 bonds (distance) P-C4' energy: -136.638 flat angles C4'-P-C4' energy: -153.897 flat angles P-C4'-P energy: -100.012 tors. eta vs tors. theta energy: -166.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1830.721561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.721561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.721561 (E_RNA) where: Base-Base interactions energy: -1257.577 where: short stacking energy: -540.848 Base-Backbone interact. energy: -2.385 local terms energy: -570.759794 where: bonds (distance) C4'-P energy: -102.908 bonds (distance) P-C4' energy: -122.004 flat angles C4'-P-C4' energy: -142.242 flat angles P-C4'-P energy: -87.757 tors. eta vs tors. theta energy: -115.849 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: 38 Temperature: 1.350000 Total energy: -1446.580403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.580403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.580403 (E_RNA) where: Base-Base interactions energy: -961.287 where: short stacking energy: -445.921 Base-Backbone interact. energy: -0.543 local terms energy: -484.750778 where: bonds (distance) C4'-P energy: -123.813 bonds (distance) P-C4' energy: -121.212 flat angles C4'-P-C4' energy: -116.054 flat angles P-C4'-P energy: -57.211 tors. eta vs tors. theta energy: -66.461 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: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -3089.548500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.548500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.548500 (E_RNA) where: Base-Base interactions energy: -2160.054 where: short stacking energy: -905.745 Base-Backbone interact. energy: -2.934 local terms energy: -926.560834 where: bonds (distance) C4'-P energy: -171.793 bonds (distance) P-C4' energy: -166.996 flat angles C4'-P-C4' energy: -207.828 flat angles P-C4'-P energy: -119.802 tors. eta vs tors. theta energy: -260.142 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: 39 Temperature: 0.950000 Total energy: -2953.759386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.759386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.759386 (E_RNA) where: Base-Base interactions energy: -2045.651 where: short stacking energy: -906.683 Base-Backbone interact. energy: -0.441 local terms energy: -907.666988 where: bonds (distance) C4'-P energy: -165.974 bonds (distance) P-C4' energy: -162.705 flat angles C4'-P-C4' energy: -191.250 flat angles P-C4'-P energy: -127.313 tors. eta vs tors. theta energy: -260.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2879.410974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.410974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.410974 (E_RNA) where: Base-Base interactions energy: -2014.804 where: short stacking energy: -878.961 Base-Backbone interact. energy: 0.419 local terms energy: -865.026158 where: bonds (distance) C4'-P energy: -163.180 bonds (distance) P-C4' energy: -145.007 flat angles C4'-P-C4' energy: -184.687 flat angles P-C4'-P energy: -103.240 tors. eta vs tors. theta energy: -268.913 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: 39 Temperature: 1.050000 Total energy: -2758.092802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.092802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.092802 (E_RNA) where: Base-Base interactions energy: -1942.826 where: short stacking energy: -853.112 Base-Backbone interact. energy: 1.493 local terms energy: -816.759388 where: bonds (distance) C4'-P energy: -135.122 bonds (distance) P-C4' energy: -136.802 flat angles C4'-P-C4' energy: -167.452 flat angles P-C4'-P energy: -128.379 tors. eta vs tors. theta energy: -249.004 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: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2657.328112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.328112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.328112 (E_RNA) where: Base-Base interactions energy: -1853.796 where: short stacking energy: -808.619 Base-Backbone interact. energy: -3.915 local terms energy: -799.616922 where: bonds (distance) C4'-P energy: -142.639 bonds (distance) P-C4' energy: -148.274 flat angles C4'-P-C4' energy: -159.302 flat angles P-C4'-P energy: -109.558 tors. eta vs tors. theta energy: -239.844 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: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -2591.688904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.688904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.688904 (E_RNA) where: Base-Base interactions energy: -1770.598 where: short stacking energy: -770.602 Base-Backbone interact. energy: -1.693 local terms energy: -819.397777 where: bonds (distance) C4'-P energy: -160.764 bonds (distance) P-C4' energy: -164.473 flat angles C4'-P-C4' energy: -159.832 flat angles P-C4'-P energy: -113.647 tors. eta vs tors. theta energy: -220.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -2261.539604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.539604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.539604 (E_RNA) where: Base-Base interactions energy: -1532.179 where: short stacking energy: -666.944 Base-Backbone interact. energy: -3.742 local terms energy: -725.618643 where: bonds (distance) C4'-P energy: -119.664 bonds (distance) P-C4' energy: -146.893 flat angles C4'-P-C4' energy: -170.943 flat angles P-C4'-P energy: -113.404 tors. eta vs tors. theta energy: -174.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -2050.966085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.966085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.966085 (E_RNA) where: Base-Base interactions energy: -1386.538 where: short stacking energy: -639.278 Base-Backbone interact. energy: 2.936 local terms energy: -667.364674 where: bonds (distance) C4'-P energy: -129.517 bonds (distance) P-C4' energy: -141.285 flat angles C4'-P-C4' energy: -135.946 flat angles P-C4'-P energy: -102.301 tors. eta vs tors. theta energy: -158.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1737.515690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.515690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.515690 (E_RNA) where: Base-Base interactions energy: -1167.829 where: short stacking energy: -522.835 Base-Backbone interact. energy: -5.561 local terms energy: -564.125333 where: bonds (distance) C4'-P energy: -112.112 bonds (distance) P-C4' energy: -136.948 flat angles C4'-P-C4' energy: -138.088 flat angles P-C4'-P energy: -61.993 tors. eta vs tors. theta energy: -114.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1424.458964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.458964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.458964 (E_RNA) where: Base-Base interactions energy: -878.947 where: short stacking energy: -436.466 Base-Backbone interact. energy: 3.050 local terms energy: -548.562839 where: bonds (distance) C4'-P energy: -115.907 bonds (distance) P-C4' energy: -151.116 flat angles C4'-P-C4' energy: -141.343 flat angles P-C4'-P energy: -82.768 tors. eta vs tors. theta energy: -57.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -3091.013847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.013847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.013847 (E_RNA) where: Base-Base interactions energy: -2200.751 where: short stacking energy: -940.855 Base-Backbone interact. energy: -1.832 local terms energy: -888.430155 where: bonds (distance) C4'-P energy: -147.177 bonds (distance) P-C4' energy: -156.903 flat angles C4'-P-C4' energy: -198.826 flat angles P-C4'-P energy: -116.183 tors. eta vs tors. theta energy: -269.342 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: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2968.766062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.766062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.766062 (E_RNA) where: Base-Base interactions energy: -2055.419 where: short stacking energy: -897.816 Base-Backbone interact. energy: -2.293 local terms energy: -911.053413 where: bonds (distance) C4'-P energy: -171.676 bonds (distance) P-C4' energy: -156.195 flat angles C4'-P-C4' energy: -181.307 flat angles P-C4'-P energy: -129.068 tors. eta vs tors. theta energy: -272.808 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: 4 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2908.847850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.847850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.847850 (E_RNA) where: Base-Base interactions energy: -2016.290 where: short stacking energy: -918.412 Base-Backbone interact. energy: -4.606 local terms energy: -887.952519 where: bonds (distance) C4'-P energy: -152.967 bonds (distance) P-C4' energy: -162.484 flat angles C4'-P-C4' energy: -184.256 flat angles P-C4'-P energy: -117.398 tors. eta vs tors. theta energy: -270.847 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: 2 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2733.259020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.259020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.259020 (E_RNA) where: Base-Base interactions energy: -1911.641 where: short stacking energy: -827.194 Base-Backbone interact. energy: 1.613 local terms energy: -823.230946 where: bonds (distance) C4'-P energy: -153.608 bonds (distance) P-C4' energy: -153.363 flat angles C4'-P-C4' energy: -171.437 flat angles P-C4'-P energy: -107.305 tors. eta vs tors. theta energy: -237.518 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: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2571.422771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.422771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.422771 (E_RNA) where: Base-Base interactions energy: -1757.194 where: short stacking energy: -789.067 Base-Backbone interact. energy: -2.358 local terms energy: -811.871001 where: bonds (distance) C4'-P energy: -147.233 bonds (distance) P-C4' energy: -152.677 flat angles C4'-P-C4' energy: -169.242 flat angles P-C4'-P energy: -115.587 tors. eta vs tors. theta energy: -227.131 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: 40 Temperature: 1.150000 Total energy: -2497.326400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.326400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.326400 (E_RNA) where: Base-Base interactions energy: -1728.528 where: short stacking energy: -779.302 Base-Backbone interact. energy: -4.719 local terms energy: -764.078865 where: bonds (distance) C4'-P energy: -125.061 bonds (distance) P-C4' energy: -144.629 flat angles C4'-P-C4' energy: -164.168 flat angles P-C4'-P energy: -104.473 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: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -2299.357743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.357743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.357743 (E_RNA) where: Base-Base interactions energy: -1584.324 where: short stacking energy: -698.526 Base-Backbone interact. energy: 5.932 local terms energy: -720.965552 where: bonds (distance) C4'-P energy: -126.618 bonds (distance) P-C4' energy: -145.545 flat angles C4'-P-C4' energy: -155.682 flat angles P-C4'-P energy: -96.300 tors. eta vs tors. theta energy: -196.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -2071.496481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.496481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.496481 (E_RNA) where: Base-Base interactions energy: -1412.819 where: short stacking energy: -614.945 Base-Backbone interact. energy: 1.191 local terms energy: -659.868502 where: bonds (distance) C4'-P energy: -126.946 bonds (distance) P-C4' energy: -131.829 flat angles C4'-P-C4' energy: -153.382 flat angles P-C4'-P energy: -96.162 tors. eta vs tors. theta energy: -151.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1745.685113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.685113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.685113 (E_RNA) where: Base-Base interactions energy: -1140.977 where: short stacking energy: -494.339 Base-Backbone interact. energy: 0.135 local terms energy: -604.842348 where: bonds (distance) C4'-P energy: -120.589 bonds (distance) P-C4' energy: -157.898 flat angles C4'-P-C4' energy: -149.138 flat angles P-C4'-P energy: -76.508 tors. eta vs tors. theta energy: -100.710 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: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1454.174419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.174419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.174419 (E_RNA) where: Base-Base interactions energy: -944.335 where: short stacking energy: -470.986 Base-Backbone interact. energy: 4.236 local terms energy: -514.076014 where: bonds (distance) C4'-P energy: -122.337 bonds (distance) P-C4' energy: -121.654 flat angles C4'-P-C4' energy: -118.374 flat angles P-C4'-P energy: -71.584 tors. eta vs tors. theta energy: -80.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -3082.317337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.317337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.317337 (E_RNA) where: Base-Base interactions energy: -2173.784 where: short stacking energy: -923.832 Base-Backbone interact. energy: -0.964 local terms energy: -907.569068 where: bonds (distance) C4'-P energy: -144.308 bonds (distance) P-C4' energy: -170.477 flat angles C4'-P-C4' energy: -196.469 flat angles P-C4'-P energy: -126.593 tors. eta vs tors. theta energy: -269.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2959.137256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.137256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.137256 (E_RNA) where: Base-Base interactions energy: -2052.870 where: short stacking energy: -908.895 Base-Backbone interact. energy: -1.739 local terms energy: -904.528103 where: bonds (distance) C4'-P energy: -160.901 bonds (distance) P-C4' energy: -152.939 flat angles C4'-P-C4' energy: -192.800 flat angles P-C4'-P energy: -130.203 tors. eta vs tors. theta energy: -267.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2906.179976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.179976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.179976 (E_RNA) where: Base-Base interactions energy: -2000.229 where: short stacking energy: -910.438 Base-Backbone interact. energy: -1.992 local terms energy: -903.959593 where: bonds (distance) C4'-P energy: -156.077 bonds (distance) P-C4' energy: -158.268 flat angles C4'-P-C4' energy: -191.079 flat angles P-C4'-P energy: -122.200 tors. eta vs tors. theta energy: -276.335 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: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2729.608415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.608415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.608415 (E_RNA) where: Base-Base interactions energy: -1918.803 where: short stacking energy: -845.386 Base-Backbone interact. energy: 6.818 local terms energy: -817.623441 where: bonds (distance) C4'-P energy: -142.367 bonds (distance) P-C4' energy: -145.380 flat angles C4'-P-C4' energy: -183.477 flat angles P-C4'-P energy: -102.203 tors. eta vs tors. theta energy: -244.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2622.398938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.398938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.398938 (E_RNA) where: Base-Base interactions energy: -1823.569 where: short stacking energy: -803.408 Base-Backbone interact. energy: -4.428 local terms energy: -794.401569 where: bonds (distance) C4'-P energy: -142.077 bonds (distance) P-C4' energy: -140.118 flat angles C4'-P-C4' energy: -172.519 flat angles P-C4'-P energy: -102.823 tors. eta vs tors. theta energy: -236.865 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: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -2498.896158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.896158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.896158 (E_RNA) where: Base-Base interactions energy: -1734.792 where: short stacking energy: -753.140 Base-Backbone interact. energy: -4.075 local terms energy: -760.029502 where: bonds (distance) C4'-P energy: -142.587 bonds (distance) P-C4' energy: -135.478 flat angles C4'-P-C4' energy: -165.517 flat angles P-C4'-P energy: -95.642 tors. eta vs tors. theta energy: -220.805 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: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -2334.747552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.747552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.747552 (E_RNA) where: Base-Base interactions energy: -1597.214 where: short stacking energy: -732.385 Base-Backbone interact. energy: -2.128 local terms energy: -735.405768 where: bonds (distance) C4'-P energy: -137.964 bonds (distance) P-C4' energy: -150.919 flat angles C4'-P-C4' energy: -162.545 flat angles P-C4'-P energy: -96.135 tors. eta vs tors. theta energy: -187.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -2164.300566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.300566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.300566 (E_RNA) where: Base-Base interactions energy: -1483.411 where: short stacking energy: -671.318 Base-Backbone interact. energy: -1.345 local terms energy: -679.545331 where: bonds (distance) C4'-P energy: -122.987 bonds (distance) P-C4' energy: -126.615 flat angles C4'-P-C4' energy: -174.274 flat angles P-C4'-P energy: -78.963 tors. eta vs tors. theta energy: -176.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1850.191898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.191898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.191898 (E_RNA) where: Base-Base interactions energy: -1241.439 where: short stacking energy: -535.871 Base-Backbone interact. energy: -0.753 local terms energy: -607.999456 where: bonds (distance) C4'-P energy: -122.379 bonds (distance) P-C4' energy: -128.580 flat angles C4'-P-C4' energy: -141.483 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -116.352 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: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1453.206241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.206241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.206241 (E_RNA) where: Base-Base interactions energy: -905.266 where: short stacking energy: -419.845 Base-Backbone interact. energy: -0.114 local terms energy: -547.826000 where: bonds (distance) C4'-P energy: -134.876 bonds (distance) P-C4' energy: -129.976 flat angles C4'-P-C4' energy: -107.203 flat angles P-C4'-P energy: -98.459 tors. eta vs tors. theta energy: -77.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -3070.948732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.948732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.948732 (E_RNA) where: Base-Base interactions energy: -2136.385 where: short stacking energy: -912.121 Base-Backbone interact. energy: -2.454 local terms energy: -932.109231 where: bonds (distance) C4'-P energy: -170.182 bonds (distance) P-C4' energy: -169.902 flat angles C4'-P-C4' energy: -208.409 flat angles P-C4'-P energy: -124.019 tors. eta vs tors. theta energy: -259.598 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: 42 Temperature: 0.950000 Total energy: -2952.032861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.032861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.032861 (E_RNA) where: Base-Base interactions energy: -2050.596 where: short stacking energy: -893.985 Base-Backbone interact. energy: -3.287 local terms energy: -898.149347 where: bonds (distance) C4'-P energy: -165.835 bonds (distance) P-C4' energy: -168.946 flat angles C4'-P-C4' energy: -172.827 flat angles P-C4'-P energy: -134.244 tors. eta vs tors. theta energy: -256.298 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: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2890.562717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.562717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.562717 (E_RNA) where: Base-Base interactions energy: -1992.452 where: short stacking energy: -906.521 Base-Backbone interact. energy: -5.288 local terms energy: -892.822563 where: bonds (distance) C4'-P energy: -150.188 bonds (distance) P-C4' energy: -170.456 flat angles C4'-P-C4' energy: -188.287 flat angles P-C4'-P energy: -109.249 tors. eta vs tors. theta energy: -274.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2752.472049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.472049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.472049 (E_RNA) where: Base-Base interactions energy: -1927.815 where: short stacking energy: -831.676 Base-Backbone interact. energy: -4.394 local terms energy: -820.262454 where: bonds (distance) C4'-P energy: -143.938 bonds (distance) P-C4' energy: -158.473 flat angles C4'-P-C4' energy: -156.895 flat angles P-C4'-P energy: -110.158 tors. eta vs tors. theta energy: -250.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2604.800646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.800646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.800646 (E_RNA) where: Base-Base interactions energy: -1787.693 where: short stacking energy: -793.017 Base-Backbone interact. energy: 0.517 local terms energy: -817.624816 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -152.649 flat angles C4'-P-C4' energy: -175.062 flat angles P-C4'-P energy: -114.714 tors. eta vs tors. theta energy: -231.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -2434.897271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.897271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.897271 (E_RNA) where: Base-Base interactions energy: -1632.275 where: short stacking energy: -735.136 Base-Backbone interact. energy: -2.262 local terms energy: -800.360318 where: bonds (distance) C4'-P energy: -137.554 bonds (distance) P-C4' energy: -149.573 flat angles C4'-P-C4' energy: -174.749 flat angles P-C4'-P energy: -132.104 tors. eta vs tors. theta energy: -206.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -2323.821408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.821408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.821408 (E_RNA) where: Base-Base interactions energy: -1587.364 where: short stacking energy: -671.634 Base-Backbone interact. energy: -0.370 local terms energy: -736.087762 where: bonds (distance) C4'-P energy: -152.111 bonds (distance) P-C4' energy: -140.705 flat angles C4'-P-C4' energy: -163.091 flat angles P-C4'-P energy: -104.140 tors. eta vs tors. theta energy: -176.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -2124.850291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.850291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.850291 (E_RNA) where: Base-Base interactions energy: -1415.016 where: short stacking energy: -621.458 Base-Backbone interact. energy: 1.165 local terms energy: -710.999595 where: bonds (distance) C4'-P energy: -130.839 bonds (distance) P-C4' energy: -149.213 flat angles C4'-P-C4' energy: -168.980 flat angles P-C4'-P energy: -88.439 tors. eta vs tors. theta energy: -173.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1815.028667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.028667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.028667 (E_RNA) where: Base-Base interactions energy: -1238.893 where: short stacking energy: -527.809 Base-Backbone interact. energy: 0.471 local terms energy: -576.606241 where: bonds (distance) C4'-P energy: -114.366 bonds (distance) P-C4' energy: -120.836 flat angles C4'-P-C4' energy: -134.852 flat angles P-C4'-P energy: -94.148 tors. eta vs tors. theta energy: -112.404 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: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1492.209365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.209365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.209365 (E_RNA) where: Base-Base interactions energy: -935.685 where: short stacking energy: -452.529 Base-Backbone interact. energy: 1.367 local terms energy: -557.891977 where: bonds (distance) C4'-P energy: -118.671 bonds (distance) P-C4' energy: -134.341 flat angles C4'-P-C4' energy: -145.589 flat angles P-C4'-P energy: -73.726 tors. eta vs tors. theta energy: -85.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -3090.419285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.419285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.419285 (E_RNA) where: Base-Base interactions energy: -2165.682 where: short stacking energy: -908.717 Base-Backbone interact. energy: -0.567 local terms energy: -924.169788 where: bonds (distance) C4'-P energy: -162.471 bonds (distance) P-C4' energy: -178.749 flat angles C4'-P-C4' energy: -198.891 flat angles P-C4'-P energy: -115.014 tors. eta vs tors. theta energy: -269.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2940.708946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.708946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.708946 (E_RNA) where: Base-Base interactions energy: -2039.592 where: short stacking energy: -890.211 Base-Backbone interact. energy: -3.752 local terms energy: -897.364981 where: bonds (distance) C4'-P energy: -161.338 bonds (distance) P-C4' energy: -159.986 flat angles C4'-P-C4' energy: -190.034 flat angles P-C4'-P energy: -118.088 tors. eta vs tors. theta energy: -267.920 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: 4 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2906.237875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.237875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.237875 (E_RNA) where: Base-Base interactions energy: -2019.262 where: short stacking energy: -920.121 Base-Backbone interact. energy: -1.204 local terms energy: -885.772265 where: bonds (distance) C4'-P energy: -143.371 bonds (distance) P-C4' energy: -154.865 flat angles C4'-P-C4' energy: -183.538 flat angles P-C4'-P energy: -128.803 tors. eta vs tors. theta energy: -275.195 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: 2 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2768.909496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.909496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.909496 (E_RNA) where: Base-Base interactions energy: -1949.166 where: short stacking energy: -854.705 Base-Backbone interact. energy: -3.223 local terms energy: -816.520037 where: bonds (distance) C4'-P energy: -128.164 bonds (distance) P-C4' energy: -145.134 flat angles C4'-P-C4' energy: -182.667 flat angles P-C4'-P energy: -113.301 tors. eta vs tors. theta energy: -247.253 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: 43 Temperature: 1.100000 Total energy: -2660.996226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.996226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.996226 (E_RNA) where: Base-Base interactions energy: -1818.134 where: short stacking energy: -806.787 Base-Backbone interact. energy: -1.287 local terms energy: -841.575323 where: bonds (distance) C4'-P energy: -145.242 bonds (distance) P-C4' energy: -162.955 flat angles C4'-P-C4' energy: -182.453 flat angles P-C4'-P energy: -115.591 tors. eta vs tors. theta energy: -235.334 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: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -2490.895787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.895787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.895787 (E_RNA) where: Base-Base interactions energy: -1715.144 where: short stacking energy: -767.991 Base-Backbone interact. energy: -1.530 local terms energy: -774.221235 where: bonds (distance) C4'-P energy: -135.211 bonds (distance) P-C4' energy: -149.305 flat angles C4'-P-C4' energy: -168.482 flat angles P-C4'-P energy: -111.467 tors. eta vs tors. theta energy: -209.757 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: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -2330.261176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.261176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.261176 (E_RNA) where: Base-Base interactions energy: -1606.785 where: short stacking energy: -680.458 Base-Backbone interact. energy: 1.043 local terms energy: -724.519743 where: bonds (distance) C4'-P energy: -133.169 bonds (distance) P-C4' energy: -140.739 flat angles C4'-P-C4' energy: -157.189 flat angles P-C4'-P energy: -102.894 tors. eta vs tors. theta energy: -190.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -2090.344449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.344449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.344449 (E_RNA) where: Base-Base interactions energy: -1413.510 where: short stacking energy: -622.171 Base-Backbone interact. energy: 1.797 local terms energy: -678.631789 where: bonds (distance) C4'-P energy: -142.258 bonds (distance) P-C4' energy: -126.193 flat angles C4'-P-C4' energy: -158.176 flat angles P-C4'-P energy: -87.212 tors. eta vs tors. theta energy: -164.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1750.572954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.572954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.572954 (E_RNA) where: Base-Base interactions energy: -1186.337 where: short stacking energy: -520.971 Base-Backbone interact. energy: 2.538 local terms energy: -566.773598 where: bonds (distance) C4'-P energy: -132.652 bonds (distance) P-C4' energy: -116.702 flat angles C4'-P-C4' energy: -123.380 flat angles P-C4'-P energy: -84.610 tors. eta vs tors. theta energy: -109.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1453.761870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.761870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.761870 (E_RNA) where: Base-Base interactions energy: -909.602 where: short stacking energy: -455.044 Base-Backbone interact. energy: -1.587 local terms energy: -542.572219 where: bonds (distance) C4'-P energy: -109.907 bonds (distance) P-C4' energy: -133.363 flat angles C4'-P-C4' energy: -133.795 flat angles P-C4'-P energy: -75.458 tors. eta vs tors. theta energy: -90.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -3092.299002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.299002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.299002 (E_RNA) where: Base-Base interactions energy: -2177.825 where: short stacking energy: -916.818 Base-Backbone interact. energy: -1.782 local terms energy: -912.692056 where: bonds (distance) C4'-P energy: -159.634 bonds (distance) P-C4' energy: -163.759 flat angles C4'-P-C4' energy: -198.466 flat angles P-C4'-P energy: -123.661 tors. eta vs tors. theta energy: -267.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2983.372982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.372982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.372982 (E_RNA) where: Base-Base interactions energy: -2052.766 where: short stacking energy: -904.256 Base-Backbone interact. energy: -1.257 local terms energy: -929.349980 where: bonds (distance) C4'-P energy: -163.540 bonds (distance) P-C4' energy: -171.786 flat angles C4'-P-C4' energy: -194.792 flat angles P-C4'-P energy: -123.625 tors. eta vs tors. theta energy: -275.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2911.851654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.851654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.851654 (E_RNA) where: Base-Base interactions energy: -2026.179 where: short stacking energy: -918.275 Base-Backbone interact. energy: -3.145 local terms energy: -882.527198 where: bonds (distance) C4'-P energy: -153.270 bonds (distance) P-C4' energy: -159.447 flat angles C4'-P-C4' energy: -190.525 flat angles P-C4'-P energy: -103.744 tors. eta vs tors. theta energy: -275.541 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: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2744.329998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.329998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.329998 (E_RNA) where: Base-Base interactions energy: -1926.791 where: short stacking energy: -834.422 Base-Backbone interact. energy: 4.191 local terms energy: -821.729761 where: bonds (distance) C4'-P energy: -145.340 bonds (distance) P-C4' energy: -161.747 flat angles C4'-P-C4' energy: -168.557 flat angles P-C4'-P energy: -111.695 tors. eta vs tors. theta energy: -234.391 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: 44 Temperature: 1.100000 Total energy: -2667.939500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.939500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.939500 (E_RNA) where: Base-Base interactions energy: -1848.758 where: short stacking energy: -828.881 Base-Backbone interact. energy: -1.355 local terms energy: -817.826646 where: bonds (distance) C4'-P energy: -132.080 bonds (distance) P-C4' energy: -149.292 flat angles C4'-P-C4' energy: -173.564 flat angles P-C4'-P energy: -121.256 tors. eta vs tors. theta energy: -241.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -2460.186765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.186765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.186765 (E_RNA) where: Base-Base interactions energy: -1697.259 where: short stacking energy: -736.089 Base-Backbone interact. energy: -0.733 local terms energy: -762.195561 where: bonds (distance) C4'-P energy: -163.010 bonds (distance) P-C4' energy: -141.579 flat angles C4'-P-C4' energy: -159.649 flat angles P-C4'-P energy: -110.553 tors. eta vs tors. theta energy: -187.405 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: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -2368.553697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.553697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.553697 (E_RNA) where: Base-Base interactions energy: -1643.510 where: short stacking energy: -717.230 Base-Backbone interact. energy: -2.339 local terms energy: -722.705561 where: bonds (distance) C4'-P energy: -126.474 bonds (distance) P-C4' energy: -127.417 flat angles C4'-P-C4' energy: -177.165 flat angles P-C4'-P energy: -92.948 tors. eta vs tors. theta energy: -198.701 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: 8 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -2131.470402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.470402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.470402 (E_RNA) where: Base-Base interactions energy: -1455.689 where: short stacking energy: -633.980 Base-Backbone interact. energy: -1.730 local terms energy: -674.051006 where: bonds (distance) C4'-P energy: -109.508 bonds (distance) P-C4' energy: -134.116 flat angles C4'-P-C4' energy: -160.443 flat angles P-C4'-P energy: -94.447 tors. eta vs tors. theta energy: -175.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1693.595109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.595109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.595109 (E_RNA) where: Base-Base interactions energy: -1137.001 where: short stacking energy: -506.659 Base-Backbone interact. energy: 0.756 local terms energy: -557.350083 where: bonds (distance) C4'-P energy: -111.696 bonds (distance) P-C4' energy: -119.202 flat angles C4'-P-C4' energy: -135.223 flat angles P-C4'-P energy: -85.651 tors. eta vs tors. theta energy: -105.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1466.184757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.184757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.184757 (E_RNA) where: Base-Base interactions energy: -914.782 where: short stacking energy: -447.080 Base-Backbone interact. energy: 0.510 local terms energy: -551.912615 where: bonds (distance) C4'-P energy: -127.483 bonds (distance) P-C4' energy: -121.657 flat angles C4'-P-C4' energy: -150.450 flat angles P-C4'-P energy: -70.087 tors. eta vs tors. theta energy: -82.236 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: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -3100.397489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.397489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.397489 (E_RNA) where: Base-Base interactions energy: -2156.809 where: short stacking energy: -899.536 Base-Backbone interact. energy: -5.231 local terms energy: -938.357726 where: bonds (distance) C4'-P energy: -178.594 bonds (distance) P-C4' energy: -169.495 flat angles C4'-P-C4' energy: -191.140 flat angles P-C4'-P energy: -136.429 tors. eta vs tors. theta energy: -262.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2992.398340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.398340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.398340 (E_RNA) where: Base-Base interactions energy: -2105.116 where: short stacking energy: -933.043 Base-Backbone interact. energy: -3.868 local terms energy: -883.414612 where: bonds (distance) C4'-P energy: -152.251 bonds (distance) P-C4' energy: -149.364 flat angles C4'-P-C4' energy: -186.812 flat angles P-C4'-P energy: -118.698 tors. eta vs tors. theta energy: -276.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2906.678582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.678582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.678582 (E_RNA) where: Base-Base interactions energy: -2013.754 where: short stacking energy: -909.519 Base-Backbone interact. energy: -3.193 local terms energy: -889.732100 where: bonds (distance) C4'-P energy: -161.267 bonds (distance) P-C4' energy: -152.796 flat angles C4'-P-C4' energy: -185.126 flat angles P-C4'-P energy: -112.790 tors. eta vs tors. theta energy: -277.753 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: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2738.079440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.079440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.079440 (E_RNA) where: Base-Base interactions energy: -1907.118 where: short stacking energy: -783.071 Base-Backbone interact. energy: -5.480 local terms energy: -825.480856 where: bonds (distance) C4'-P energy: -135.311 bonds (distance) P-C4' energy: -165.686 flat angles C4'-P-C4' energy: -179.673 flat angles P-C4'-P energy: -126.752 tors. eta vs tors. theta energy: -218.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2658.387157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.387157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.387157 (E_RNA) where: Base-Base interactions energy: -1848.389 where: short stacking energy: -804.877 Base-Backbone interact. energy: -4.955 local terms energy: -805.042708 where: bonds (distance) C4'-P energy: -134.224 bonds (distance) P-C4' energy: -157.549 flat angles C4'-P-C4' energy: -159.080 flat angles P-C4'-P energy: -113.440 tors. eta vs tors. theta energy: -240.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -2473.832544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.832544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.832544 (E_RNA) where: Base-Base interactions energy: -1699.600 where: short stacking energy: -717.104 Base-Backbone interact. energy: -2.848 local terms energy: -771.384912 where: bonds (distance) C4'-P energy: -150.316 bonds (distance) P-C4' energy: -164.773 flat angles C4'-P-C4' energy: -156.509 flat angles P-C4'-P energy: -98.544 tors. eta vs tors. theta energy: -201.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -2335.602029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.602029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.602029 (E_RNA) where: Base-Base interactions energy: -1593.779 where: short stacking energy: -684.274 Base-Backbone interact. energy: 1.244 local terms energy: -743.066133 where: bonds (distance) C4'-P energy: -146.506 bonds (distance) P-C4' energy: -158.837 flat angles C4'-P-C4' energy: -153.100 flat angles P-C4'-P energy: -104.183 tors. eta vs tors. theta energy: -180.440 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: 45 Temperature: 1.250000 Total energy: -2122.602501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.602501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.602501 (E_RNA) where: Base-Base interactions energy: -1446.173 where: short stacking energy: -622.828 Base-Backbone interact. energy: 3.096 local terms energy: -679.525852 where: bonds (distance) C4'-P energy: -110.927 bonds (distance) P-C4' energy: -134.114 flat angles C4'-P-C4' energy: -163.152 flat angles P-C4'-P energy: -93.387 tors. eta vs tors. theta energy: -177.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1616.110125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.110125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.110125 (E_RNA) where: Base-Base interactions energy: -1062.510 where: short stacking energy: -472.211 Base-Backbone interact. energy: -1.164 local terms energy: -552.436322 where: bonds (distance) C4'-P energy: -130.071 bonds (distance) P-C4' energy: -136.059 flat angles C4'-P-C4' energy: -143.988 flat angles P-C4'-P energy: -60.415 tors. eta vs tors. theta energy: -81.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1396.502998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.502998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.502998 (E_RNA) where: Base-Base interactions energy: -905.683 where: short stacking energy: -425.472 Base-Backbone interact. energy: 1.099 local terms energy: -491.919399 where: bonds (distance) C4'-P energy: -132.039 bonds (distance) P-C4' energy: -140.497 flat angles C4'-P-C4' energy: -122.569 flat angles P-C4'-P energy: -49.694 tors. eta vs tors. theta energy: -47.121 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: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -3117.165562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.165562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.165562 (E_RNA) where: Base-Base interactions energy: -2171.923 where: short stacking energy: -908.398 Base-Backbone interact. energy: -8.166 local terms energy: -937.076326 where: bonds (distance) C4'-P energy: -154.115 bonds (distance) P-C4' energy: -177.810 flat angles C4'-P-C4' energy: -194.890 flat angles P-C4'-P energy: -146.895 tors. eta vs tors. theta energy: -263.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2986.352946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.352946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.352946 (E_RNA) where: Base-Base interactions energy: -2059.933 where: short stacking energy: -933.265 Base-Backbone interact. energy: -1.831 local terms energy: -924.589203 where: bonds (distance) C4'-P energy: -157.129 bonds (distance) P-C4' energy: -175.897 flat angles C4'-P-C4' energy: -187.879 flat angles P-C4'-P energy: -116.160 tors. eta vs tors. theta energy: -287.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2898.256793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.256793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.256793 (E_RNA) where: Base-Base interactions energy: -2032.535 where: short stacking energy: -891.837 Base-Backbone interact. energy: -3.896 local terms energy: -861.826103 where: bonds (distance) C4'-P energy: -150.903 bonds (distance) P-C4' energy: -155.134 flat angles C4'-P-C4' energy: -167.244 flat angles P-C4'-P energy: -125.910 tors. eta vs tors. theta energy: -262.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2716.620436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.620436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.620436 (E_RNA) where: Base-Base interactions energy: -1897.199 where: short stacking energy: -815.545 Base-Backbone interact. energy: -3.587 local terms energy: -815.833761 where: bonds (distance) C4'-P energy: -143.528 bonds (distance) P-C4' energy: -143.446 flat angles C4'-P-C4' energy: -173.296 flat angles P-C4'-P energy: -114.458 tors. eta vs tors. theta energy: -241.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2661.725011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.725011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.725011 (E_RNA) where: Base-Base interactions energy: -1865.206 where: short stacking energy: -843.679 Base-Backbone interact. energy: 1.907 local terms energy: -798.426086 where: bonds (distance) C4'-P energy: -147.073 bonds (distance) P-C4' energy: -141.674 flat angles C4'-P-C4' energy: -169.752 flat angles P-C4'-P energy: -103.756 tors. eta vs tors. theta energy: -236.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -2464.804301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.804301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.804301 (E_RNA) where: Base-Base interactions energy: -1694.721 where: short stacking energy: -767.866 Base-Backbone interact. energy: -0.450 local terms energy: -769.632916 where: bonds (distance) C4'-P energy: -144.980 bonds (distance) P-C4' energy: -147.037 flat angles C4'-P-C4' energy: -155.770 flat angles P-C4'-P energy: -96.835 tors. eta vs tors. theta energy: -225.011 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: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -2404.959091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.959091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.959091 (E_RNA) where: Base-Base interactions energy: -1669.795 where: short stacking energy: -719.898 Base-Backbone interact. energy: -0.360 local terms energy: -734.803982 where: bonds (distance) C4'-P energy: -115.740 bonds (distance) P-C4' energy: -131.885 flat angles C4'-P-C4' energy: -183.739 flat angles P-C4'-P energy: -95.736 tors. eta vs tors. theta energy: -207.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -2152.417220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.417220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.417220 (E_RNA) where: Base-Base interactions energy: -1448.907 where: short stacking energy: -625.803 Base-Backbone interact. energy: -1.419 local terms energy: -702.090988 where: bonds (distance) C4'-P energy: -129.463 bonds (distance) P-C4' energy: -148.586 flat angles C4'-P-C4' energy: -168.112 flat angles P-C4'-P energy: -87.614 tors. eta vs tors. theta energy: -168.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1536.085180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.085180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.085180 (E_RNA) where: Base-Base interactions energy: -944.181 where: short stacking energy: -447.661 Base-Backbone interact. energy: -3.619 local terms energy: -588.284930 where: bonds (distance) C4'-P energy: -125.458 bonds (distance) P-C4' energy: -124.880 flat angles C4'-P-C4' energy: -161.102 flat angles P-C4'-P energy: -90.047 tors. eta vs tors. theta energy: -86.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1470.456294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.456294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.456294 (E_RNA) where: Base-Base interactions energy: -949.462 where: short stacking energy: -398.772 Base-Backbone interact. energy: -2.311 local terms energy: -518.683326 where: bonds (distance) C4'-P energy: -135.030 bonds (distance) P-C4' energy: -121.982 flat angles C4'-P-C4' energy: -135.139 flat angles P-C4'-P energy: -65.780 tors. eta vs tors. theta energy: -60.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -3083.140584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.140584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.140584 (E_RNA) where: Base-Base interactions energy: -2150.527 where: short stacking energy: -877.706 Base-Backbone interact. energy: -1.823 local terms energy: -930.790801 where: bonds (distance) C4'-P energy: -165.997 bonds (distance) P-C4' energy: -165.867 flat angles C4'-P-C4' energy: -198.821 flat angles P-C4'-P energy: -138.998 tors. eta vs tors. theta energy: -261.107 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: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2986.274288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.274288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.274288 (E_RNA) where: Base-Base interactions energy: -2086.691 where: short stacking energy: -924.363 Base-Backbone interact. energy: -4.654 local terms energy: -894.929359 where: bonds (distance) C4'-P energy: -155.841 bonds (distance) P-C4' energy: -157.224 flat angles C4'-P-C4' energy: -183.673 flat angles P-C4'-P energy: -117.772 tors. eta vs tors. theta energy: -280.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2874.612343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.612343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.612343 (E_RNA) where: Base-Base interactions energy: -1978.969 where: short stacking energy: -877.899 Base-Backbone interact. energy: -3.215 local terms energy: -892.428821 where: bonds (distance) C4'-P energy: -151.945 bonds (distance) P-C4' energy: -162.513 flat angles C4'-P-C4' energy: -198.039 flat angles P-C4'-P energy: -117.073 tors. eta vs tors. theta energy: -262.859 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: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2763.548200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.548200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.548200 (E_RNA) where: Base-Base interactions energy: -1922.632 where: short stacking energy: -808.384 Base-Backbone interact. energy: -3.447 local terms energy: -837.469039 where: bonds (distance) C4'-P energy: -148.521 bonds (distance) P-C4' energy: -159.565 flat angles C4'-P-C4' energy: -164.212 flat angles P-C4'-P energy: -123.204 tors. eta vs tors. theta energy: -241.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2638.355443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.355443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.355443 (E_RNA) where: Base-Base interactions energy: -1804.406 where: short stacking energy: -785.604 Base-Backbone interact. energy: -1.706 local terms energy: -832.243409 where: bonds (distance) C4'-P energy: -149.163 bonds (distance) P-C4' energy: -135.711 flat angles C4'-P-C4' energy: -172.781 flat angles P-C4'-P energy: -124.244 tors. eta vs tors. theta energy: -250.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2420.188026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.188026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.188026 (E_RNA) where: Base-Base interactions energy: -1639.983 where: short stacking energy: -752.890 Base-Backbone interact. energy: -1.161 local terms energy: -779.043935 where: bonds (distance) C4'-P energy: -144.552 bonds (distance) P-C4' energy: -137.608 flat angles C4'-P-C4' energy: -162.522 flat angles P-C4'-P energy: -117.741 tors. eta vs tors. theta energy: -216.621 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: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -2381.697271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.697271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.697271 (E_RNA) where: Base-Base interactions energy: -1643.496 where: short stacking energy: -694.674 Base-Backbone interact. energy: -1.882 local terms energy: -736.319253 where: bonds (distance) C4'-P energy: -138.344 bonds (distance) P-C4' energy: -145.133 flat angles C4'-P-C4' energy: -157.080 flat angles P-C4'-P energy: -99.097 tors. eta vs tors. theta energy: -196.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -2177.235868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.235868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.235868 (E_RNA) where: Base-Base interactions energy: -1486.929 where: short stacking energy: -675.819 Base-Backbone interact. energy: 1.151 local terms energy: -691.457203 where: bonds (distance) C4'-P energy: -132.505 bonds (distance) P-C4' energy: -132.774 flat angles C4'-P-C4' energy: -151.405 flat angles P-C4'-P energy: -94.778 tors. eta vs tors. theta energy: -179.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1713.293709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.293709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.293709 (E_RNA) where: Base-Base interactions energy: -1158.868 where: short stacking energy: -521.285 Base-Backbone interact. energy: 8.674 local terms energy: -563.099443 where: bonds (distance) C4'-P energy: -120.086 bonds (distance) P-C4' energy: -134.057 flat angles C4'-P-C4' energy: -129.224 flat angles P-C4'-P energy: -76.392 tors. eta vs tors. theta energy: -103.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1515.972412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.972412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.972412 (E_RNA) where: Base-Base interactions energy: -957.117 where: short stacking energy: -435.648 Base-Backbone interact. energy: 0.336 local terms energy: -559.191518 where: bonds (distance) C4'-P energy: -114.418 bonds (distance) P-C4' energy: -147.196 flat angles C4'-P-C4' energy: -135.091 flat angles P-C4'-P energy: -83.787 tors. eta vs tors. theta energy: -78.699 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: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -3082.547099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.547099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.547099 (E_RNA) where: Base-Base interactions energy: -2155.696 where: short stacking energy: -891.501 Base-Backbone interact. energy: -3.714 local terms energy: -923.136468 where: bonds (distance) C4'-P energy: -154.090 bonds (distance) P-C4' energy: -181.359 flat angles C4'-P-C4' energy: -196.540 flat angles P-C4'-P energy: -132.377 tors. eta vs tors. theta energy: -258.771 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: 4 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2975.476194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.476194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.476194 (E_RNA) where: Base-Base interactions energy: -2112.265 where: short stacking energy: -944.615 Base-Backbone interact. energy: -3.527 local terms energy: -859.684539 where: bonds (distance) C4'-P energy: -153.449 bonds (distance) P-C4' energy: -123.580 flat angles C4'-P-C4' energy: -196.621 flat angles P-C4'-P energy: -121.225 tors. eta vs tors. theta energy: -264.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2880.881834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.881834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.881834 (E_RNA) where: Base-Base interactions energy: -2018.478 where: short stacking energy: -871.917 Base-Backbone interact. energy: -4.254 local terms energy: -858.149834 where: bonds (distance) C4'-P energy: -146.257 bonds (distance) P-C4' energy: -157.326 flat angles C4'-P-C4' energy: -178.592 flat angles P-C4'-P energy: -126.889 tors. eta vs tors. theta energy: -249.086 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: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2817.870557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.870557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.870557 (E_RNA) where: Base-Base interactions energy: -1973.913 where: short stacking energy: -851.249 Base-Backbone interact. energy: -3.909 local terms energy: -840.048664 where: bonds (distance) C4'-P energy: -134.922 bonds (distance) P-C4' energy: -167.739 flat angles C4'-P-C4' energy: -179.605 flat angles P-C4'-P energy: -113.676 tors. eta vs tors. theta energy: -244.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2641.375985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.375985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.375985 (E_RNA) where: Base-Base interactions energy: -1810.266 where: short stacking energy: -801.333 Base-Backbone interact. energy: -1.974 local terms energy: -829.135931 where: bonds (distance) C4'-P energy: -148.513 bonds (distance) P-C4' energy: -163.454 flat angles C4'-P-C4' energy: -161.961 flat angles P-C4'-P energy: -111.429 tors. eta vs tors. theta energy: -243.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2431.991873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.991873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.991873 (E_RNA) where: Base-Base interactions energy: -1672.135 where: short stacking energy: -757.941 Base-Backbone interact. energy: -3.801 local terms energy: -756.055924 where: bonds (distance) C4'-P energy: -116.219 bonds (distance) P-C4' energy: -152.637 flat angles C4'-P-C4' energy: -168.205 flat angles P-C4'-P energy: -103.745 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: 7, replica: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -2333.407957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.407957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.407957 (E_RNA) where: Base-Base interactions energy: -1618.243 where: short stacking energy: -697.638 Base-Backbone interact. energy: -0.858 local terms energy: -714.307297 where: bonds (distance) C4'-P energy: -135.471 bonds (distance) P-C4' energy: -127.810 flat angles C4'-P-C4' energy: -154.449 flat angles P-C4'-P energy: -103.784 tors. eta vs tors. theta energy: -192.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -2134.363148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.363148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.363148 (E_RNA) where: Base-Base interactions energy: -1444.793 where: short stacking energy: -615.848 Base-Backbone interact. energy: -0.399 local terms energy: -689.170410 where: bonds (distance) C4'-P energy: -105.312 bonds (distance) P-C4' energy: -152.373 flat angles C4'-P-C4' energy: -154.334 flat angles P-C4'-P energy: -99.035 tors. eta vs tors. theta energy: -178.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1664.150354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.150354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.150354 (E_RNA) where: Base-Base interactions energy: -1096.297 where: short stacking energy: -508.210 Base-Backbone interact. energy: 5.793 local terms energy: -573.646015 where: bonds (distance) C4'-P energy: -115.616 bonds (distance) P-C4' energy: -122.064 flat angles C4'-P-C4' energy: -158.531 flat angles P-C4'-P energy: -72.626 tors. eta vs tors. theta energy: -104.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1495.318916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.318916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.318916 (E_RNA) where: Base-Base interactions energy: -983.914 where: short stacking energy: -445.422 Base-Backbone interact. energy: -1.010 local terms energy: -510.395709 where: bonds (distance) C4'-P energy: -108.383 bonds (distance) P-C4' energy: -139.309 flat angles C4'-P-C4' energy: -128.986 flat angles P-C4'-P energy: -69.483 tors. eta vs tors. theta energy: -64.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -3081.066395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.066395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.066395 (E_RNA) where: Base-Base interactions energy: -2157.329 where: short stacking energy: -916.524 Base-Backbone interact. energy: -2.319 local terms energy: -921.418186 where: bonds (distance) C4'-P energy: -159.939 bonds (distance) P-C4' energy: -170.522 flat angles C4'-P-C4' energy: -190.128 flat angles P-C4'-P energy: -128.393 tors. eta vs tors. theta energy: -272.438 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: 49 Temperature: 0.950000 Total energy: -2962.076776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.076776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.076776 (E_RNA) where: Base-Base interactions energy: -2061.293 where: short stacking energy: -923.559 Base-Backbone interact. energy: -1.716 local terms energy: -899.067353 where: bonds (distance) C4'-P energy: -144.286 bonds (distance) P-C4' energy: -169.627 flat angles C4'-P-C4' energy: -189.352 flat angles P-C4'-P energy: -121.425 tors. eta vs tors. theta energy: -274.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2849.142711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.142711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.142711 (E_RNA) where: Base-Base interactions energy: -1995.978 where: short stacking energy: -852.739 Base-Backbone interact. energy: -2.549 local terms energy: -850.615958 where: bonds (distance) C4'-P energy: -154.055 bonds (distance) P-C4' energy: -158.445 flat angles C4'-P-C4' energy: -180.870 flat angles P-C4'-P energy: -112.252 tors. eta vs tors. theta energy: -244.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2844.172091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.172091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.172091 (E_RNA) where: Base-Base interactions energy: -1962.081 where: short stacking energy: -827.082 Base-Backbone interact. energy: 0.033 local terms energy: -882.123928 where: bonds (distance) C4'-P energy: -152.009 bonds (distance) P-C4' energy: -165.649 flat angles C4'-P-C4' energy: -190.052 flat angles P-C4'-P energy: -119.442 tors. eta vs tors. theta energy: -254.972 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: 5, replica: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2598.977183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.977183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.977183 (E_RNA) where: Base-Base interactions energy: -1772.143 where: short stacking energy: -763.507 Base-Backbone interact. energy: -3.218 local terms energy: -823.615758 where: bonds (distance) C4'-P energy: -161.726 bonds (distance) P-C4' energy: -137.380 flat angles C4'-P-C4' energy: -187.877 flat angles P-C4'-P energy: -90.212 tors. eta vs tors. theta energy: -246.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2417.306950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.306950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.306950 (E_RNA) where: Base-Base interactions energy: -1655.676 where: short stacking energy: -729.025 Base-Backbone interact. energy: -1.604 local terms energy: -760.026642 where: bonds (distance) C4'-P energy: -144.957 bonds (distance) P-C4' energy: -146.504 flat angles C4'-P-C4' energy: -157.533 flat angles P-C4'-P energy: -117.186 tors. eta vs tors. theta energy: -193.847 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: 7, replica: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -2362.000324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.000324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.000324 (E_RNA) where: Base-Base interactions energy: -1635.295 where: short stacking energy: -708.180 Base-Backbone interact. energy: -3.800 local terms energy: -722.905684 where: bonds (distance) C4'-P energy: -128.332 bonds (distance) P-C4' energy: -138.080 flat angles C4'-P-C4' energy: -171.269 flat angles P-C4'-P energy: -97.245 tors. eta vs tors. theta energy: -187.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -2162.998720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.998720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.998720 (E_RNA) where: Base-Base interactions energy: -1471.007 where: short stacking energy: -647.723 Base-Backbone interact. energy: -1.974 local terms energy: -690.017679 where: bonds (distance) C4'-P energy: -131.676 bonds (distance) P-C4' energy: -134.425 flat angles C4'-P-C4' energy: -142.875 flat angles P-C4'-P energy: -108.452 tors. eta vs tors. theta energy: -172.589 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: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1708.383143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.383143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.383143 (E_RNA) where: Base-Base interactions energy: -1132.135 where: short stacking energy: -489.367 Base-Backbone interact. energy: -0.932 local terms energy: -575.315471 where: bonds (distance) C4'-P energy: -121.028 bonds (distance) P-C4' energy: -143.737 flat angles C4'-P-C4' energy: -122.063 flat angles P-C4'-P energy: -85.678 tors. eta vs tors. theta energy: -102.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1432.017351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.017351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.017351 (E_RNA) where: Base-Base interactions energy: -893.352 where: short stacking energy: -389.517 Base-Backbone interact. energy: -0.884 local terms energy: -537.781996 where: bonds (distance) C4'-P energy: -103.358 bonds (distance) P-C4' energy: -153.713 flat angles C4'-P-C4' energy: -131.984 flat angles P-C4'-P energy: -83.572 tors. eta vs tors. theta energy: -65.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -3076.883464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.883464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.883464 (E_RNA) where: Base-Base interactions energy: -2129.200 where: short stacking energy: -896.472 Base-Backbone interact. energy: -3.977 local terms energy: -943.706017 where: bonds (distance) C4'-P energy: -164.390 bonds (distance) P-C4' energy: -181.947 flat angles C4'-P-C4' energy: -203.993 flat angles P-C4'-P energy: -129.620 tors. eta vs tors. theta energy: -263.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2977.788533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.788533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.788533 (E_RNA) where: Base-Base interactions energy: -2060.866 where: short stacking energy: -914.581 Base-Backbone interact. energy: -2.547 local terms energy: -914.375373 where: bonds (distance) C4'-P energy: -158.711 bonds (distance) P-C4' energy: -158.684 flat angles C4'-P-C4' energy: -189.480 flat angles P-C4'-P energy: -130.004 tors. eta vs tors. theta energy: -277.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2900.628448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.628448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.628448 (E_RNA) where: Base-Base interactions energy: -2030.761 where: short stacking energy: -874.985 Base-Backbone interact. energy: -1.494 local terms energy: -868.374094 where: bonds (distance) C4'-P energy: -157.837 bonds (distance) P-C4' energy: -150.825 flat angles C4'-P-C4' energy: -187.999 flat angles P-C4'-P energy: -113.054 tors. eta vs tors. theta energy: -258.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2768.707905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.707905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.707905 (E_RNA) where: Base-Base interactions energy: -1925.749 where: short stacking energy: -838.843 Base-Backbone interact. energy: -5.124 local terms energy: -837.834651 where: bonds (distance) C4'-P energy: -150.597 bonds (distance) P-C4' energy: -154.775 flat angles C4'-P-C4' energy: -179.070 flat angles P-C4'-P energy: -114.379 tors. eta vs tors. theta energy: -239.014 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: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2618.076759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.076759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.076759 (E_RNA) where: Base-Base interactions energy: -1823.306 where: short stacking energy: -829.404 Base-Backbone interact. energy: -2.236 local terms energy: -792.535165 where: bonds (distance) C4'-P energy: -144.196 bonds (distance) P-C4' energy: -136.062 flat angles C4'-P-C4' energy: -172.790 flat angles P-C4'-P energy: -108.426 tors. eta vs tors. theta energy: -231.062 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: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2476.590862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.590862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.590862 (E_RNA) where: Base-Base interactions energy: -1718.326 where: short stacking energy: -760.900 Base-Backbone interact. energy: -1.229 local terms energy: -757.035752 where: bonds (distance) C4'-P energy: -132.474 bonds (distance) P-C4' energy: -136.844 flat angles C4'-P-C4' energy: -172.829 flat angles P-C4'-P energy: -102.265 tors. eta vs tors. theta energy: -212.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -2236.430324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.430324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.430324 (E_RNA) where: Base-Base interactions energy: -1542.536 where: short stacking energy: -656.310 Base-Backbone interact. energy: 0.533 local terms energy: -694.426831 where: bonds (distance) C4'-P energy: -124.743 bonds (distance) P-C4' energy: -149.894 flat angles C4'-P-C4' energy: -155.491 flat angles P-C4'-P energy: -87.429 tors. eta vs tors. theta energy: -176.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -2136.317870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.317870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.317870 (E_RNA) where: Base-Base interactions energy: -1408.206 where: short stacking energy: -656.330 Base-Backbone interact. energy: 3.921 local terms energy: -732.032984 where: bonds (distance) C4'-P energy: -136.704 bonds (distance) P-C4' energy: -134.605 flat angles C4'-P-C4' energy: -158.152 flat angles P-C4'-P energy: -115.431 tors. eta vs tors. theta energy: -187.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1692.969407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.969407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.969407 (E_RNA) where: Base-Base interactions energy: -1060.515 where: short stacking energy: -480.368 Base-Backbone interact. energy: -3.534 local terms energy: -628.919654 where: bonds (distance) C4'-P energy: -131.685 bonds (distance) P-C4' energy: -150.845 flat angles C4'-P-C4' energy: -152.250 flat angles P-C4'-P energy: -85.222 tors. eta vs tors. theta energy: -108.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1266.818912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.818912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.818912 (E_RNA) where: Base-Base interactions energy: -772.887 where: short stacking energy: -368.524 Base-Backbone interact. energy: 3.116 local terms energy: -497.047296 where: bonds (distance) C4'-P energy: -124.888 bonds (distance) P-C4' energy: -128.858 flat angles C4'-P-C4' energy: -114.920 flat angles P-C4'-P energy: -75.297 tors. eta vs tors. theta energy: -53.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -3124.794015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.794015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.794015 (E_RNA) where: Base-Base interactions energy: -2173.355 where: short stacking energy: -900.254 Base-Backbone interact. energy: -6.205 local terms energy: -945.234494 where: bonds (distance) C4'-P energy: -177.641 bonds (distance) P-C4' energy: -169.058 flat angles C4'-P-C4' energy: -202.930 flat angles P-C4'-P energy: -130.451 tors. eta vs tors. theta energy: -265.154 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: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2942.386412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.386412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.386412 (E_RNA) where: Base-Base interactions energy: -2061.757 where: short stacking energy: -849.095 Base-Backbone interact. energy: 0.713 local terms energy: -881.342217 where: bonds (distance) C4'-P energy: -164.521 bonds (distance) P-C4' energy: -141.167 flat angles C4'-P-C4' energy: -189.625 flat angles P-C4'-P energy: -128.942 tors. eta vs tors. theta energy: -257.087 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: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2884.501107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.501107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.501107 (E_RNA) where: Base-Base interactions energy: -2020.807 where: short stacking energy: -906.078 Base-Backbone interact. energy: -2.814 local terms energy: -860.879584 where: bonds (distance) C4'-P energy: -160.099 bonds (distance) P-C4' energy: -154.241 flat angles C4'-P-C4' energy: -180.030 flat angles P-C4'-P energy: -110.993 tors. eta vs tors. theta energy: -255.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2726.763707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.763707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.763707 (E_RNA) where: Base-Base interactions energy: -1887.492 where: short stacking energy: -843.122 Base-Backbone interact. energy: -4.273 local terms energy: -834.998396 where: bonds (distance) C4'-P energy: -148.890 bonds (distance) P-C4' energy: -155.719 flat angles C4'-P-C4' energy: -183.993 flat angles P-C4'-P energy: -105.073 tors. eta vs tors. theta energy: -241.324 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: 5, replica: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2652.121233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.121233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.121233 (E_RNA) where: Base-Base interactions energy: -1812.903 where: short stacking energy: -843.264 Base-Backbone interact. energy: -3.046 local terms energy: -836.171967 where: bonds (distance) C4'-P energy: -148.441 bonds (distance) P-C4' energy: -156.166 flat angles C4'-P-C4' energy: -185.824 flat angles P-C4'-P energy: -109.940 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: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2489.196365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.196365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.196365 (E_RNA) where: Base-Base interactions energy: -1691.069 where: short stacking energy: -742.568 Base-Backbone interact. energy: 0.238 local terms energy: -798.364782 where: bonds (distance) C4'-P energy: -142.148 bonds (distance) P-C4' energy: -157.432 flat angles C4'-P-C4' energy: -175.888 flat angles P-C4'-P energy: -98.499 tors. eta vs tors. theta energy: -224.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -2269.583308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.583308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.583308 (E_RNA) where: Base-Base interactions energy: -1573.822 where: short stacking energy: -692.911 Base-Backbone interact. energy: 3.550 local terms energy: -699.310544 where: bonds (distance) C4'-P energy: -155.457 bonds (distance) P-C4' energy: -144.520 flat angles C4'-P-C4' energy: -138.340 flat angles P-C4'-P energy: -96.229 tors. eta vs tors. theta energy: -164.764 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: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -2053.967159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.967159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.967159 (E_RNA) where: Base-Base interactions energy: -1380.918 where: short stacking energy: -614.113 Base-Backbone interact. energy: -1.500 local terms energy: -671.549585 where: bonds (distance) C4'-P energy: -110.469 bonds (distance) P-C4' energy: -135.701 flat angles C4'-P-C4' energy: -161.570 flat angles P-C4'-P energy: -107.554 tors. eta vs tors. theta energy: -156.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1731.364124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.364124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.364124 (E_RNA) where: Base-Base interactions energy: -1142.296 where: short stacking energy: -526.063 Base-Backbone interact. energy: -3.186 local terms energy: -585.882125 where: bonds (distance) C4'-P energy: -113.948 bonds (distance) P-C4' energy: -134.640 flat angles C4'-P-C4' energy: -129.385 flat angles P-C4'-P energy: -76.611 tors. eta vs tors. theta energy: -131.298 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: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1388.938213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.938213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.938213 (E_RNA) where: Base-Base interactions energy: -830.831 where: short stacking energy: -407.535 Base-Backbone interact. energy: -1.924 local terms energy: -556.183102 where: bonds (distance) C4'-P energy: -135.851 bonds (distance) P-C4' energy: -139.923 flat angles C4'-P-C4' energy: -123.983 flat angles P-C4'-P energy: -79.135 tors. eta vs tors. theta energy: -77.291 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: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -3092.845321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.845321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.845321 (E_RNA) where: Base-Base interactions energy: -2171.144 where: short stacking energy: -936.960 Base-Backbone interact. energy: -3.301 local terms energy: -918.399755 where: bonds (distance) C4'-P energy: -166.001 bonds (distance) P-C4' energy: -170.634 flat angles C4'-P-C4' energy: -192.763 flat angles P-C4'-P energy: -123.582 tors. eta vs tors. theta energy: -265.420 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: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2974.010526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.010526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.010526 (E_RNA) where: Base-Base interactions energy: -2077.237 where: short stacking energy: -890.304 Base-Backbone interact. energy: 0.361 local terms energy: -897.134881 where: bonds (distance) C4'-P energy: -161.393 bonds (distance) P-C4' energy: -164.251 flat angles C4'-P-C4' energy: -190.383 flat angles P-C4'-P energy: -117.223 tors. eta vs tors. theta energy: -263.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2855.704778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.704778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.704778 (E_RNA) where: Base-Base interactions energy: -1964.462 where: short stacking energy: -875.297 Base-Backbone interact. energy: -2.470 local terms energy: -888.772930 where: bonds (distance) C4'-P energy: -148.668 bonds (distance) P-C4' energy: -157.038 flat angles C4'-P-C4' energy: -184.625 flat angles P-C4'-P energy: -129.710 tors. eta vs tors. theta energy: -268.731 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: 1 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2728.767407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.767407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.767407 (E_RNA) where: Base-Base interactions energy: -1909.735 where: short stacking energy: -853.720 Base-Backbone interact. energy: -2.335 local terms energy: -816.697448 where: bonds (distance) C4'-P energy: -152.767 bonds (distance) P-C4' energy: -142.059 flat angles C4'-P-C4' energy: -171.318 flat angles P-C4'-P energy: -105.346 tors. eta vs tors. theta energy: -245.207 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: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2653.055139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.055139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.055139 (E_RNA) where: Base-Base interactions energy: -1822.881 where: short stacking energy: -808.412 Base-Backbone interact. energy: -2.385 local terms energy: -827.789290 where: bonds (distance) C4'-P energy: -156.614 bonds (distance) P-C4' energy: -142.924 flat angles C4'-P-C4' energy: -171.524 flat angles P-C4'-P energy: -119.214 tors. eta vs tors. theta energy: -237.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2481.159730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.159730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.159730 (E_RNA) where: Base-Base interactions energy: -1690.328 where: short stacking energy: -727.746 Base-Backbone interact. energy: -4.542 local terms energy: -786.289661 where: bonds (distance) C4'-P energy: -147.308 bonds (distance) P-C4' energy: -147.032 flat angles C4'-P-C4' energy: -167.334 flat angles P-C4'-P energy: -104.726 tors. eta vs tors. theta energy: -219.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -2286.115322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.115322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.115322 (E_RNA) where: Base-Base interactions energy: -1584.973 where: short stacking energy: -691.218 Base-Backbone interact. energy: -3.837 local terms energy: -697.304990 where: bonds (distance) C4'-P energy: -121.272 bonds (distance) P-C4' energy: -150.004 flat angles C4'-P-C4' energy: -157.623 flat angles P-C4'-P energy: -89.261 tors. eta vs tors. theta energy: -179.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -2084.567925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.567925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.567925 (E_RNA) where: Base-Base interactions energy: -1412.830 where: short stacking energy: -621.337 Base-Backbone interact. energy: -1.612 local terms energy: -670.125118 where: bonds (distance) C4'-P energy: -104.227 bonds (distance) P-C4' energy: -150.311 flat angles C4'-P-C4' energy: -159.720 flat angles P-C4'-P energy: -91.869 tors. eta vs tors. theta energy: -163.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1694.394153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.394153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.394153 (E_RNA) where: Base-Base interactions energy: -1123.908 where: short stacking energy: -493.392 Base-Backbone interact. energy: 0.887 local terms energy: -571.373123 where: bonds (distance) C4'-P energy: -127.954 bonds (distance) P-C4' energy: -127.495 flat angles C4'-P-C4' energy: -140.149 flat angles P-C4'-P energy: -71.928 tors. eta vs tors. theta energy: -103.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1386.119725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.119725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.119725 (E_RNA) where: Base-Base interactions energy: -871.977 where: short stacking energy: -421.808 Base-Backbone interact. energy: 1.591 local terms energy: -515.733661 where: bonds (distance) C4'-P energy: -120.216 bonds (distance) P-C4' energy: -114.686 flat angles C4'-P-C4' energy: -124.732 flat angles P-C4'-P energy: -81.852 tors. eta vs tors. theta energy: -74.248 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: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -3084.129748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.129748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.129748 (E_RNA) where: Base-Base interactions energy: -2157.916 where: short stacking energy: -902.903 Base-Backbone interact. energy: -8.318 local terms energy: -917.895178 where: bonds (distance) C4'-P energy: -168.795 bonds (distance) P-C4' energy: -174.597 flat angles C4'-P-C4' energy: -189.677 flat angles P-C4'-P energy: -119.231 tors. eta vs tors. theta energy: -265.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2983.170675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.170675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.170675 (E_RNA) where: Base-Base interactions energy: -2063.215 where: short stacking energy: -926.189 Base-Backbone interact. energy: 3.893 local terms energy: -923.848467 where: bonds (distance) C4'-P energy: -163.924 bonds (distance) P-C4' energy: -171.535 flat angles C4'-P-C4' energy: -177.020 flat angles P-C4'-P energy: -136.941 tors. eta vs tors. theta energy: -274.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2862.336201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.336201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.336201 (E_RNA) where: Base-Base interactions energy: -1979.296 where: short stacking energy: -877.523 Base-Backbone interact. energy: -1.490 local terms energy: -881.550158 where: bonds (distance) C4'-P energy: -156.383 bonds (distance) P-C4' energy: -158.822 flat angles C4'-P-C4' energy: -180.986 flat angles P-C4'-P energy: -123.158 tors. eta vs tors. theta energy: -262.202 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: 1 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2721.783117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.783117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.783117 (E_RNA) where: Base-Base interactions energy: -1883.810 where: short stacking energy: -820.908 Base-Backbone interact. energy: -4.034 local terms energy: -833.939464 where: bonds (distance) C4'-P energy: -143.899 bonds (distance) P-C4' energy: -167.772 flat angles C4'-P-C4' energy: -188.795 flat angles P-C4'-P energy: -98.374 tors. eta vs tors. theta energy: -235.099 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: 5, replica: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2655.276675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.276675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.276675 (E_RNA) where: Base-Base interactions energy: -1820.284 where: short stacking energy: -832.237 Base-Backbone interact. energy: -3.905 local terms energy: -831.087976 where: bonds (distance) C4'-P energy: -134.152 bonds (distance) P-C4' energy: -162.507 flat angles C4'-P-C4' energy: -178.350 flat angles P-C4'-P energy: -117.278 tors. eta vs tors. theta energy: -238.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2455.622005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.622005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.622005 (E_RNA) where: Base-Base interactions energy: -1652.618 where: short stacking energy: -752.582 Base-Backbone interact. energy: -5.319 local terms energy: -797.684633 where: bonds (distance) C4'-P energy: -150.903 bonds (distance) P-C4' energy: -154.296 flat angles C4'-P-C4' energy: -168.737 flat angles P-C4'-P energy: -106.734 tors. eta vs tors. theta energy: -217.014 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: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -2263.676276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.676276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.676276 (E_RNA) where: Base-Base interactions energy: -1517.376 where: short stacking energy: -670.146 Base-Backbone interact. energy: 1.532 local terms energy: -747.832426 where: bonds (distance) C4'-P energy: -148.169 bonds (distance) P-C4' energy: -147.015 flat angles C4'-P-C4' energy: -165.562 flat angles P-C4'-P energy: -105.364 tors. eta vs tors. theta energy: -181.723 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: 8 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -2186.318150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.318150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.318150 (E_RNA) where: Base-Base interactions energy: -1506.671 where: short stacking energy: -682.504 Base-Backbone interact. energy: -1.802 local terms energy: -677.845208 where: bonds (distance) C4'-P energy: -131.057 bonds (distance) P-C4' energy: -129.130 flat angles C4'-P-C4' energy: -140.326 flat angles P-C4'-P energy: -102.910 tors. eta vs tors. theta energy: -174.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1685.982574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.982574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.982574 (E_RNA) where: Base-Base interactions energy: -1091.178 where: short stacking energy: -510.145 Base-Backbone interact. energy: -0.678 local terms energy: -594.126320 where: bonds (distance) C4'-P energy: -121.657 bonds (distance) P-C4' energy: -132.923 flat angles C4'-P-C4' energy: -146.886 flat angles P-C4'-P energy: -101.726 tors. eta vs tors. theta energy: -90.934 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: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1359.201645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.201645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.201645 (E_RNA) where: Base-Base interactions energy: -809.471 where: short stacking energy: -395.549 Base-Backbone interact. energy: -0.900 local terms energy: -548.830646 where: bonds (distance) C4'-P energy: -131.489 bonds (distance) P-C4' energy: -129.051 flat angles C4'-P-C4' energy: -152.957 flat angles P-C4'-P energy: -76.957 tors. eta vs tors. theta energy: -58.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -3089.588332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.588332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.588332 (E_RNA) where: Base-Base interactions energy: -2160.595 where: short stacking energy: -921.660 Base-Backbone interact. energy: -3.856 local terms energy: -925.138217 where: bonds (distance) C4'-P energy: -170.331 bonds (distance) P-C4' energy: -170.291 flat angles C4'-P-C4' energy: -193.401 flat angles P-C4'-P energy: -125.623 tors. eta vs tors. theta energy: -265.492 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: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2932.111158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.111158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.111158 (E_RNA) where: Base-Base interactions energy: -2034.003 where: short stacking energy: -903.159 Base-Backbone interact. energy: 0.781 local terms energy: -898.888881 where: bonds (distance) C4'-P energy: -163.252 bonds (distance) P-C4' energy: -169.358 flat angles C4'-P-C4' energy: -183.831 flat angles P-C4'-P energy: -124.079 tors. eta vs tors. theta energy: -258.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2857.366282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.366282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.366282 (E_RNA) where: Base-Base interactions energy: -1955.407 where: short stacking energy: -882.749 Base-Backbone interact. energy: -5.513 local terms energy: -896.445777 where: bonds (distance) C4'-P energy: -171.231 bonds (distance) P-C4' energy: -156.040 flat angles C4'-P-C4' energy: -183.474 flat angles P-C4'-P energy: -123.160 tors. eta vs tors. theta energy: -262.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2726.276053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.276053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.276053 (E_RNA) where: Base-Base interactions energy: -1869.215 where: short stacking energy: -851.702 Base-Backbone interact. energy: -5.404 local terms energy: -851.657514 where: bonds (distance) C4'-P energy: -143.165 bonds (distance) P-C4' energy: -159.435 flat angles C4'-P-C4' energy: -177.004 flat angles P-C4'-P energy: -120.717 tors. eta vs tors. theta energy: -251.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2689.508126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.508126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.508126 (E_RNA) where: Base-Base interactions energy: -1905.984 where: short stacking energy: -833.794 Base-Backbone interact. energy: -1.184 local terms energy: -782.340910 where: bonds (distance) C4'-P energy: -118.796 bonds (distance) P-C4' energy: -139.940 flat angles C4'-P-C4' energy: -179.240 flat angles P-C4'-P energy: -96.818 tors. eta vs tors. theta energy: -247.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -2526.276862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.276862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.276862 (E_RNA) where: Base-Base interactions energy: -1741.926 where: short stacking energy: -771.473 Base-Backbone interact. energy: -2.947 local terms energy: -781.403972 where: bonds (distance) C4'-P energy: -122.402 bonds (distance) P-C4' energy: -156.382 flat angles C4'-P-C4' energy: -167.361 flat angles P-C4'-P energy: -120.049 tors. eta vs tors. theta energy: -215.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -2314.966869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.966869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.966869 (E_RNA) where: Base-Base interactions energy: -1563.279 where: short stacking energy: -687.469 Base-Backbone interact. energy: -2.040 local terms energy: -749.647756 where: bonds (distance) C4'-P energy: -143.708 bonds (distance) P-C4' energy: -155.668 flat angles C4'-P-C4' energy: -146.241 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -209.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -2158.129141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.129141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.129141 (E_RNA) where: Base-Base interactions energy: -1482.307 where: short stacking energy: -622.584 Base-Backbone interact. energy: -4.647 local terms energy: -671.175251 where: bonds (distance) C4'-P energy: -109.245 bonds (distance) P-C4' energy: -144.636 flat angles C4'-P-C4' energy: -156.983 flat angles P-C4'-P energy: -92.746 tors. eta vs tors. theta energy: -167.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1787.289503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.289503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.289503 (E_RNA) where: Base-Base interactions energy: -1193.655 where: short stacking energy: -543.400 Base-Backbone interact. energy: 0.251 local terms energy: -593.885603 where: bonds (distance) C4'-P energy: -126.856 bonds (distance) P-C4' energy: -150.666 flat angles C4'-P-C4' energy: -122.160 flat angles P-C4'-P energy: -82.412 tors. eta vs tors. theta energy: -111.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1345.747708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.747708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.747708 (E_RNA) where: Base-Base interactions energy: -837.488 where: short stacking energy: -407.021 Base-Backbone interact. energy: -1.392 local terms energy: -506.867704 where: bonds (distance) C4'-P energy: -112.648 bonds (distance) P-C4' energy: -150.041 flat angles C4'-P-C4' energy: -123.659 flat angles P-C4'-P energy: -53.943 tors. eta vs tors. theta energy: -66.577 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: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -3055.910725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.910725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.910725 (E_RNA) where: Base-Base interactions energy: -2154.195 where: short stacking energy: -908.026 Base-Backbone interact. energy: -3.671 local terms energy: -898.044503 where: bonds (distance) C4'-P energy: -160.436 bonds (distance) P-C4' energy: -161.498 flat angles C4'-P-C4' energy: -186.274 flat angles P-C4'-P energy: -138.299 tors. eta vs tors. theta energy: -251.537 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: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2930.755376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.755376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.755376 (E_RNA) where: Base-Base interactions energy: -2049.007 where: short stacking energy: -866.537 Base-Backbone interact. energy: -1.925 local terms energy: -879.823458 where: bonds (distance) C4'-P energy: -153.716 bonds (distance) P-C4' energy: -156.530 flat angles C4'-P-C4' energy: -192.475 flat angles P-C4'-P energy: -128.205 tors. eta vs tors. theta energy: -248.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2835.917619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.917619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.917619 (E_RNA) where: Base-Base interactions energy: -1946.487 where: short stacking energy: -875.966 Base-Backbone interact. energy: -2.647 local terms energy: -886.782979 where: bonds (distance) C4'-P energy: -162.408 bonds (distance) P-C4' energy: -154.161 flat angles C4'-P-C4' energy: -189.348 flat angles P-C4'-P energy: -122.570 tors. eta vs tors. theta energy: -258.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2742.838120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.838120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.838120 (E_RNA) where: Base-Base interactions energy: -1868.016 where: short stacking energy: -834.900 Base-Backbone interact. energy: -3.485 local terms energy: -871.336922 where: bonds (distance) C4'-P energy: -150.875 bonds (distance) P-C4' energy: -171.125 flat angles C4'-P-C4' energy: -180.454 flat angles P-C4'-P energy: -116.102 tors. eta vs tors. theta energy: -252.781 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: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2682.589930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.589930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.589930 (E_RNA) where: Base-Base interactions energy: -1830.864 where: short stacking energy: -815.939 Base-Backbone interact. energy: -0.855 local terms energy: -850.871151 where: bonds (distance) C4'-P energy: -138.583 bonds (distance) P-C4' energy: -146.559 flat angles C4'-P-C4' energy: -172.823 flat angles P-C4'-P energy: -123.216 tors. eta vs tors. theta energy: -269.690 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: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2519.970074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.970074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.970074 (E_RNA) where: Base-Base interactions energy: -1734.630 where: short stacking energy: -771.740 Base-Backbone interact. energy: -2.899 local terms energy: -782.440608 where: bonds (distance) C4'-P energy: -127.684 bonds (distance) P-C4' energy: -150.068 flat angles C4'-P-C4' energy: -170.453 flat angles P-C4'-P energy: -124.572 tors. eta vs tors. theta energy: -209.663 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: 55 Temperature: 1.200000 Total energy: -2331.166562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.166562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.166562 (E_RNA) where: Base-Base interactions energy: -1624.118 where: short stacking energy: -718.293 Base-Backbone interact. energy: 1.975 local terms energy: -709.023870 where: bonds (distance) C4'-P energy: -127.996 bonds (distance) P-C4' energy: -141.815 flat angles C4'-P-C4' energy: -146.581 flat angles P-C4'-P energy: -101.462 tors. eta vs tors. theta energy: -191.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -2250.042839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.042839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.042839 (E_RNA) where: Base-Base interactions energy: -1529.900 where: short stacking energy: -679.987 Base-Backbone interact. energy: -2.489 local terms energy: -717.654478 where: bonds (distance) C4'-P energy: -132.518 bonds (distance) P-C4' energy: -136.582 flat angles C4'-P-C4' energy: -156.877 flat angles P-C4'-P energy: -102.569 tors. eta vs tors. theta energy: -189.108 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: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1767.508596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.508596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.508596 (E_RNA) where: Base-Base interactions energy: -1187.077 where: short stacking energy: -500.840 Base-Backbone interact. energy: -2.521 local terms energy: -577.910173 where: bonds (distance) C4'-P energy: -120.432 bonds (distance) P-C4' energy: -137.263 flat angles C4'-P-C4' energy: -134.221 flat angles P-C4'-P energy: -88.008 tors. eta vs tors. theta energy: -97.987 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: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1285.524684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.524684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.524684 (E_RNA) where: Base-Base interactions energy: -800.345 where: short stacking energy: -386.696 Base-Backbone interact. energy: 3.412 local terms energy: -488.592039 where: bonds (distance) C4'-P energy: -113.030 bonds (distance) P-C4' energy: -117.047 flat angles C4'-P-C4' energy: -145.242 flat angles P-C4'-P energy: -74.169 tors. eta vs tors. theta energy: -39.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -3041.853700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.853700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.853700 (E_RNA) where: Base-Base interactions energy: -2114.509 where: short stacking energy: -885.947 Base-Backbone interact. energy: -3.300 local terms energy: -924.045127 where: bonds (distance) C4'-P energy: -174.259 bonds (distance) P-C4' energy: -164.217 flat angles C4'-P-C4' energy: -187.119 flat angles P-C4'-P energy: -142.058 tors. eta vs tors. theta energy: -256.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2953.067137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.067137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.067137 (E_RNA) where: Base-Base interactions energy: -2085.591 where: short stacking energy: -892.424 Base-Backbone interact. energy: 1.840 local terms energy: -869.316674 where: bonds (distance) C4'-P energy: -153.752 bonds (distance) P-C4' energy: -153.496 flat angles C4'-P-C4' energy: -182.142 flat angles P-C4'-P energy: -127.380 tors. eta vs tors. theta energy: -252.547 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: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2826.858375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.858375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.858375 (E_RNA) where: Base-Base interactions energy: -1971.357 where: short stacking energy: -849.395 Base-Backbone interact. energy: -5.764 local terms energy: -849.738040 where: bonds (distance) C4'-P energy: -150.634 bonds (distance) P-C4' energy: -161.050 flat angles C4'-P-C4' energy: -188.709 flat angles P-C4'-P energy: -113.076 tors. eta vs tors. theta energy: -236.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2762.806988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.806988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.806988 (E_RNA) where: Base-Base interactions energy: -1916.396 where: short stacking energy: -832.266 Base-Backbone interact. energy: 0.413 local terms energy: -846.824344 where: bonds (distance) C4'-P energy: -145.049 bonds (distance) P-C4' energy: -164.580 flat angles C4'-P-C4' energy: -170.134 flat angles P-C4'-P energy: -105.962 tors. eta vs tors. theta energy: -261.099 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: 5, replica: 5 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2679.416223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.416223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.416223 (E_RNA) where: Base-Base interactions energy: -1848.675 where: short stacking energy: -821.635 Base-Backbone interact. energy: -2.071 local terms energy: -828.670756 where: bonds (distance) C4'-P energy: -154.582 bonds (distance) P-C4' energy: -137.711 flat angles C4'-P-C4' energy: -175.869 flat angles P-C4'-P energy: -118.547 tors. eta vs tors. theta energy: -241.962 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: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2434.089754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.089754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.089754 (E_RNA) where: Base-Base interactions energy: -1687.910 where: short stacking energy: -708.000 Base-Backbone interact. energy: 2.037 local terms energy: -748.217495 where: bonds (distance) C4'-P energy: -138.220 bonds (distance) P-C4' energy: -137.918 flat angles C4'-P-C4' energy: -175.539 flat angles P-C4'-P energy: -109.158 tors. eta vs tors. theta energy: -187.383 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: 7, replica: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -2322.983337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.983337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.983337 (E_RNA) where: Base-Base interactions energy: -1613.532 where: short stacking energy: -697.628 Base-Backbone interact. energy: -4.215 local terms energy: -705.236097 where: bonds (distance) C4'-P energy: -132.387 bonds (distance) P-C4' energy: -135.706 flat angles C4'-P-C4' energy: -156.715 flat angles P-C4'-P energy: -87.534 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: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -2235.459641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.459641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.459641 (E_RNA) where: Base-Base interactions energy: -1544.730 where: short stacking energy: -665.001 Base-Backbone interact. energy: -0.086 local terms energy: -690.643589 where: bonds (distance) C4'-P energy: -141.108 bonds (distance) P-C4' energy: -142.150 flat angles C4'-P-C4' energy: -150.102 flat angles P-C4'-P energy: -76.161 tors. eta vs tors. theta energy: -181.123 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: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1717.412141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.412141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.412141 (E_RNA) where: Base-Base interactions energy: -1160.255 where: short stacking energy: -499.817 Base-Backbone interact. energy: 0.159 local terms energy: -557.316915 where: bonds (distance) C4'-P energy: -121.777 bonds (distance) P-C4' energy: -130.627 flat angles C4'-P-C4' energy: -128.225 flat angles P-C4'-P energy: -85.769 tors. eta vs tors. theta energy: -90.920 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: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1311.406562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.406562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.406562 (E_RNA) where: Base-Base interactions energy: -805.884 where: short stacking energy: -374.836 Base-Backbone interact. energy: -0.633 local terms energy: -504.890065 where: bonds (distance) C4'-P energy: -122.870 bonds (distance) P-C4' energy: -137.839 flat angles C4'-P-C4' energy: -131.938 flat angles P-C4'-P energy: -80.063 tors. eta vs tors. theta energy: -32.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -3074.721667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.721667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.721667 (E_RNA) where: Base-Base interactions energy: -2161.844 where: short stacking energy: -939.914 Base-Backbone interact. energy: -5.699 local terms energy: -907.178501 where: bonds (distance) C4'-P energy: -170.243 bonds (distance) P-C4' energy: -157.577 flat angles C4'-P-C4' energy: -184.519 flat angles P-C4'-P energy: -126.204 tors. eta vs tors. theta energy: -268.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2928.329023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.329023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.329023 (E_RNA) where: Base-Base interactions energy: -2019.141 where: short stacking energy: -906.664 Base-Backbone interact. energy: 0.940 local terms energy: -910.128349 where: bonds (distance) C4'-P energy: -155.161 bonds (distance) P-C4' energy: -172.003 flat angles C4'-P-C4' energy: -186.049 flat angles P-C4'-P energy: -129.894 tors. eta vs tors. theta energy: -267.021 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: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2894.369378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.369378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.369378 (E_RNA) where: Base-Base interactions energy: -2015.039 where: short stacking energy: -875.149 Base-Backbone interact. energy: -3.041 local terms energy: -876.289068 where: bonds (distance) C4'-P energy: -152.837 bonds (distance) P-C4' energy: -146.267 flat angles C4'-P-C4' energy: -190.880 flat angles P-C4'-P energy: -122.262 tors. eta vs tors. theta energy: -264.042 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: 1 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2762.855391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.855391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.855391 (E_RNA) where: Base-Base interactions energy: -1919.808 where: short stacking energy: -815.324 Base-Backbone interact. energy: -3.919 local terms energy: -839.128122 where: bonds (distance) C4'-P energy: -141.691 bonds (distance) P-C4' energy: -167.392 flat angles C4'-P-C4' energy: -169.397 flat angles P-C4'-P energy: -113.213 tors. eta vs tors. theta energy: -247.435 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: 5 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2668.136975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.136975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.136975 (E_RNA) where: Base-Base interactions energy: -1845.396 where: short stacking energy: -816.726 Base-Backbone interact. energy: -3.297 local terms energy: -819.444759 where: bonds (distance) C4'-P energy: -160.954 bonds (distance) P-C4' energy: -137.360 flat angles C4'-P-C4' energy: -159.989 flat angles P-C4'-P energy: -115.091 tors. eta vs tors. theta energy: -246.050 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: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2488.730599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.730599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.730599 (E_RNA) where: Base-Base interactions energy: -1682.142 where: short stacking energy: -765.120 Base-Backbone interact. energy: 1.061 local terms energy: -807.650372 where: bonds (distance) C4'-P energy: -150.252 bonds (distance) P-C4' energy: -148.171 flat angles C4'-P-C4' energy: -182.659 flat angles P-C4'-P energy: -104.653 tors. eta vs tors. theta energy: -221.915 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: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -2360.233338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.233338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.233338 (E_RNA) where: Base-Base interactions energy: -1609.713 where: short stacking energy: -696.175 Base-Backbone interact. energy: 3.797 local terms energy: -754.316836 where: bonds (distance) C4'-P energy: -127.614 bonds (distance) P-C4' energy: -177.679 flat angles C4'-P-C4' energy: -155.957 flat angles P-C4'-P energy: -108.715 tors. eta vs tors. theta energy: -184.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -2138.750795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.750795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.750795 (E_RNA) where: Base-Base interactions energy: -1443.280 where: short stacking energy: -627.721 Base-Backbone interact. energy: -1.329 local terms energy: -694.142528 where: bonds (distance) C4'-P energy: -132.614 bonds (distance) P-C4' energy: -140.639 flat angles C4'-P-C4' energy: -151.672 flat angles P-C4'-P energy: -101.684 tors. eta vs tors. theta energy: -167.534 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: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1744.259682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.259682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.259682 (E_RNA) where: Base-Base interactions energy: -1202.193 where: short stacking energy: -533.172 Base-Backbone interact. energy: -0.097 local terms energy: -541.969147 where: bonds (distance) C4'-P energy: -108.228 bonds (distance) P-C4' energy: -113.841 flat angles C4'-P-C4' energy: -122.059 flat angles P-C4'-P energy: -89.977 tors. eta vs tors. theta energy: -107.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1334.969970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.969970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.969970 (E_RNA) where: Base-Base interactions energy: -851.414 where: short stacking energy: -410.616 Base-Backbone interact. energy: 2.465 local terms energy: -486.021426 where: bonds (distance) C4'-P energy: -127.516 bonds (distance) P-C4' energy: -128.531 flat angles C4'-P-C4' energy: -124.057 flat angles P-C4'-P energy: -55.982 tors. eta vs tors. theta energy: -49.935 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: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -3080.150673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.150673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.150673 (E_RNA) where: Base-Base interactions energy: -2192.071 where: short stacking energy: -920.231 Base-Backbone interact. energy: -5.263 local terms energy: -882.816659 where: bonds (distance) C4'-P energy: -148.946 bonds (distance) P-C4' energy: -156.879 flat angles C4'-P-C4' energy: -195.190 flat angles P-C4'-P energy: -114.557 tors. eta vs tors. theta energy: -267.245 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: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2945.688899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.688899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.688899 (E_RNA) where: Base-Base interactions energy: -2027.349 where: short stacking energy: -900.640 Base-Backbone interact. energy: -4.613 local terms energy: -913.727218 where: bonds (distance) C4'-P energy: -149.781 bonds (distance) P-C4' energy: -162.430 flat angles C4'-P-C4' energy: -198.203 flat angles P-C4'-P energy: -140.541 tors. eta vs tors. theta energy: -262.772 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: 2 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2820.412819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.412819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.412819 (E_RNA) where: Base-Base interactions energy: -1952.098 where: short stacking energy: -854.481 Base-Backbone interact. energy: -5.185 local terms energy: -863.129749 where: bonds (distance) C4'-P energy: -157.077 bonds (distance) P-C4' energy: -158.637 flat angles C4'-P-C4' energy: -186.757 flat angles P-C4'-P energy: -111.792 tors. eta vs tors. theta energy: -248.867 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: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2778.008835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.008835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.008835 (E_RNA) where: Base-Base interactions energy: -1938.503 where: short stacking energy: -869.742 Base-Backbone interact. energy: -2.839 local terms energy: -836.666811 where: bonds (distance) C4'-P energy: -147.186 bonds (distance) P-C4' energy: -136.591 flat angles C4'-P-C4' energy: -187.573 flat angles P-C4'-P energy: -106.649 tors. eta vs tors. theta energy: -258.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2732.816697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.816697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.816697 (E_RNA) where: Base-Base interactions energy: -1900.630 where: short stacking energy: -806.771 Base-Backbone interact. energy: -2.549 local terms energy: -829.638062 where: bonds (distance) C4'-P energy: -130.272 bonds (distance) P-C4' energy: -154.199 flat angles C4'-P-C4' energy: -176.503 flat angles P-C4'-P energy: -117.822 tors. eta vs tors. theta energy: -250.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2480.301279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.301279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.301279 (E_RNA) where: Base-Base interactions energy: -1716.437 where: short stacking energy: -763.189 Base-Backbone interact. energy: -1.733 local terms energy: -762.131126 where: bonds (distance) C4'-P energy: -137.260 bonds (distance) P-C4' energy: -130.144 flat angles C4'-P-C4' energy: -169.135 flat angles P-C4'-P energy: -104.034 tors. eta vs tors. theta energy: -221.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -2344.205059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.205059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.205059 (E_RNA) where: Base-Base interactions energy: -1621.901 where: short stacking energy: -721.683 Base-Backbone interact. energy: -0.533 local terms energy: -721.771023 where: bonds (distance) C4'-P energy: -129.596 bonds (distance) P-C4' energy: -132.314 flat angles C4'-P-C4' energy: -160.333 flat angles P-C4'-P energy: -94.688 tors. eta vs tors. theta energy: -204.840 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: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -2162.834044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.834044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.834044 (E_RNA) where: Base-Base interactions energy: -1446.983 where: short stacking energy: -657.752 Base-Backbone interact. energy: -3.274 local terms energy: -712.576101 where: bonds (distance) C4'-P energy: -159.897 bonds (distance) P-C4' energy: -121.460 flat angles C4'-P-C4' energy: -153.912 flat angles P-C4'-P energy: -106.130 tors. eta vs tors. theta energy: -171.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1729.715889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.715889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.715889 (E_RNA) where: Base-Base interactions energy: -1156.838 where: short stacking energy: -500.370 Base-Backbone interact. energy: 3.257 local terms energy: -576.135027 where: bonds (distance) C4'-P energy: -147.117 bonds (distance) P-C4' energy: -119.100 flat angles C4'-P-C4' energy: -142.190 flat angles P-C4'-P energy: -62.691 tors. eta vs tors. theta energy: -105.036 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: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1337.579409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.579409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.579409 (E_RNA) where: Base-Base interactions energy: -841.375 where: short stacking energy: -415.173 Base-Backbone interact. energy: 2.723 local terms energy: -498.927637 where: bonds (distance) C4'-P energy: -99.777 bonds (distance) P-C4' energy: -119.329 flat angles C4'-P-C4' energy: -136.693 flat angles P-C4'-P energy: -82.827 tors. eta vs tors. theta energy: -60.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -3106.987390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.987390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.987390 (E_RNA) where: Base-Base interactions energy: -2155.300 where: short stacking energy: -902.872 Base-Backbone interact. energy: -4.187 local terms energy: -947.500576 where: bonds (distance) C4'-P energy: -179.973 bonds (distance) P-C4' energy: -168.516 flat angles C4'-P-C4' energy: -188.592 flat angles P-C4'-P energy: -144.280 tors. eta vs tors. theta energy: -266.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2921.424905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.424905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.424905 (E_RNA) where: Base-Base interactions energy: -2022.984 where: short stacking energy: -914.094 Base-Backbone interact. energy: -5.617 local terms energy: -892.823136 where: bonds (distance) C4'-P energy: -152.663 bonds (distance) P-C4' energy: -161.145 flat angles C4'-P-C4' energy: -190.801 flat angles P-C4'-P energy: -121.861 tors. eta vs tors. theta energy: -266.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2884.830728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.830728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.830728 (E_RNA) where: Base-Base interactions energy: -2013.691 where: short stacking energy: -873.019 Base-Backbone interact. energy: -3.317 local terms energy: -867.821958 where: bonds (distance) C4'-P energy: -161.931 bonds (distance) P-C4' energy: -159.189 flat angles C4'-P-C4' energy: -183.530 flat angles P-C4'-P energy: -109.901 tors. eta vs tors. theta energy: -253.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2762.313601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.313601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.313601 (E_RNA) where: Base-Base interactions energy: -1889.497 where: short stacking energy: -827.257 Base-Backbone interact. energy: -5.243 local terms energy: -867.573414 where: bonds (distance) C4'-P energy: -153.752 bonds (distance) P-C4' energy: -165.404 flat angles C4'-P-C4' energy: -167.031 flat angles P-C4'-P energy: -117.514 tors. eta vs tors. theta energy: -263.872 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: 59 Temperature: 1.100000 Total energy: -2711.779697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.779697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.779697 (E_RNA) where: Base-Base interactions energy: -1884.495 where: short stacking energy: -860.333 Base-Backbone interact. energy: -6.625 local terms energy: -820.659803 where: bonds (distance) C4'-P energy: -138.686 bonds (distance) P-C4' energy: -143.471 flat angles C4'-P-C4' energy: -175.176 flat angles P-C4'-P energy: -113.396 tors. eta vs tors. theta energy: -249.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -2497.565905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.565905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.565905 (E_RNA) where: Base-Base interactions energy: -1718.994 where: short stacking energy: -750.917 Base-Backbone interact. energy: -2.468 local terms energy: -776.103342 where: bonds (distance) C4'-P energy: -131.698 bonds (distance) P-C4' energy: -142.087 flat angles C4'-P-C4' energy: -169.827 flat angles P-C4'-P energy: -111.100 tors. eta vs tors. theta energy: -221.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -2345.167983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.167983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.167983 (E_RNA) where: Base-Base interactions energy: -1598.616 where: short stacking energy: -702.883 Base-Backbone interact. energy: 0.884 local terms energy: -747.436153 where: bonds (distance) C4'-P energy: -131.643 bonds (distance) P-C4' energy: -158.989 flat angles C4'-P-C4' energy: -158.912 flat angles P-C4'-P energy: -103.139 tors. eta vs tors. theta energy: -194.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -2124.992681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.992681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.992681 (E_RNA) where: Base-Base interactions energy: -1476.504 where: short stacking energy: -628.808 Base-Backbone interact. energy: -0.523 local terms energy: -647.965762 where: bonds (distance) C4'-P energy: -126.991 bonds (distance) P-C4' energy: -116.792 flat angles C4'-P-C4' energy: -141.597 flat angles P-C4'-P energy: -103.537 tors. eta vs tors. theta energy: -159.049 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: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1875.756165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.756165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.756165 (E_RNA) where: Base-Base interactions energy: -1281.467 where: short stacking energy: -576.723 Base-Backbone interact. energy: -2.203 local terms energy: -592.086897 where: bonds (distance) C4'-P energy: -132.584 bonds (distance) P-C4' energy: -131.440 flat angles C4'-P-C4' energy: -135.634 flat angles P-C4'-P energy: -78.924 tors. eta vs tors. theta energy: -113.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1310.191276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.191276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.191276 (E_RNA) where: Base-Base interactions energy: -796.787 where: short stacking energy: -380.141 Base-Backbone interact. energy: -1.580 local terms energy: -511.824518 where: bonds (distance) C4'-P energy: -137.979 bonds (distance) P-C4' energy: -116.965 flat angles C4'-P-C4' energy: -135.601 flat angles P-C4'-P energy: -75.250 tors. eta vs tors. theta energy: -46.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -3077.967333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.967333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.967333 (E_RNA) where: Base-Base interactions energy: -2158.324 where: short stacking energy: -909.065 Base-Backbone interact. energy: -5.370 local terms energy: -914.273452 where: bonds (distance) C4'-P energy: -171.060 bonds (distance) P-C4' energy: -157.516 flat angles C4'-P-C4' energy: -197.009 flat angles P-C4'-P energy: -135.040 tors. eta vs tors. theta energy: -253.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2971.268278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.268278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.268278 (E_RNA) where: Base-Base interactions energy: -2032.540 where: short stacking energy: -906.852 Base-Backbone interact. energy: -3.470 local terms energy: -935.258944 where: bonds (distance) C4'-P energy: -162.017 bonds (distance) P-C4' energy: -180.847 flat angles C4'-P-C4' energy: -193.767 flat angles P-C4'-P energy: -129.176 tors. eta vs tors. theta energy: -269.453 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: 2 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2887.005517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.005517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.005517 (E_RNA) where: Base-Base interactions energy: -2004.920 where: short stacking energy: -891.258 Base-Backbone interact. energy: -5.007 local terms energy: -877.078370 where: bonds (distance) C4'-P energy: -150.808 bonds (distance) P-C4' energy: -168.531 flat angles C4'-P-C4' energy: -177.274 flat angles P-C4'-P energy: -126.930 tors. eta vs tors. theta energy: -253.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2832.116274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.116274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.116274 (E_RNA) where: Base-Base interactions energy: -1955.293 where: short stacking energy: -898.924 Base-Backbone interact. energy: -3.672 local terms energy: -873.151147 where: bonds (distance) C4'-P energy: -150.523 bonds (distance) P-C4' energy: -171.207 flat angles C4'-P-C4' energy: -178.003 flat angles P-C4'-P energy: -125.379 tors. eta vs tors. theta energy: -248.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2699.493498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.493498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.493498 (E_RNA) where: Base-Base interactions energy: -1827.904 where: short stacking energy: -819.610 Base-Backbone interact. energy: -4.501 local terms energy: -867.088130 where: bonds (distance) C4'-P energy: -162.472 bonds (distance) P-C4' energy: -162.220 flat angles C4'-P-C4' energy: -178.713 flat angles P-C4'-P energy: -120.040 tors. eta vs tors. theta energy: -243.644 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: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2496.955921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.955921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.955921 (E_RNA) where: Base-Base interactions energy: -1691.662 where: short stacking energy: -758.029 Base-Backbone interact. energy: -3.415 local terms energy: -801.879597 where: bonds (distance) C4'-P energy: -141.887 bonds (distance) P-C4' energy: -140.669 flat angles C4'-P-C4' energy: -169.249 flat angles P-C4'-P energy: -117.951 tors. eta vs tors. theta energy: -232.124 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: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -2348.373933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.373933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.373933 (E_RNA) where: Base-Base interactions energy: -1612.411 where: short stacking energy: -734.554 Base-Backbone interact. energy: -2.836 local terms energy: -733.127307 where: bonds (distance) C4'-P energy: -133.029 bonds (distance) P-C4' energy: -123.178 flat angles C4'-P-C4' energy: -169.671 flat angles P-C4'-P energy: -103.619 tors. eta vs tors. theta energy: -203.630 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: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -2100.723460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.723460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.723460 (E_RNA) where: Base-Base interactions energy: -1442.813 where: short stacking energy: -639.302 Base-Backbone interact. energy: 1.048 local terms energy: -658.958177 where: bonds (distance) C4'-P energy: -120.010 bonds (distance) P-C4' energy: -143.568 flat angles C4'-P-C4' energy: -147.639 flat angles P-C4'-P energy: -79.211 tors. eta vs tors. theta energy: -168.530 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: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1865.883476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.883476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.883476 (E_RNA) where: Base-Base interactions energy: -1234.695 where: short stacking energy: -563.600 Base-Backbone interact. energy: 1.894 local terms energy: -633.082531 where: bonds (distance) C4'-P energy: -140.024 bonds (distance) P-C4' energy: -132.096 flat angles C4'-P-C4' energy: -140.978 flat angles P-C4'-P energy: -88.406 tors. eta vs tors. theta energy: -131.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1254.161094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.161094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.161094 (E_RNA) where: Base-Base interactions energy: -753.607 where: short stacking energy: -352.882 Base-Backbone interact. energy: -1.562 local terms energy: -498.992276 where: bonds (distance) C4'-P energy: -135.926 bonds (distance) P-C4' energy: -127.846 flat angles C4'-P-C4' energy: -122.020 flat angles P-C4'-P energy: -75.797 tors. eta vs tors. theta energy: -37.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -3097.351164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.351164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.351164 (E_RNA) where: Base-Base interactions energy: -2190.988 where: short stacking energy: -938.787 Base-Backbone interact. energy: 2.231 local terms energy: -908.594775 where: bonds (distance) C4'-P energy: -162.442 bonds (distance) P-C4' energy: -157.280 flat angles C4'-P-C4' energy: -191.979 flat angles P-C4'-P energy: -128.896 tors. eta vs tors. theta energy: -267.998 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: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2931.764184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.764184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.764184 (E_RNA) where: Base-Base interactions energy: -2045.777 where: short stacking energy: -893.084 Base-Backbone interact. energy: -3.018 local terms energy: -882.969073 where: bonds (distance) C4'-P energy: -141.809 bonds (distance) P-C4' energy: -156.866 flat angles C4'-P-C4' energy: -186.557 flat angles P-C4'-P energy: -128.711 tors. eta vs tors. theta energy: -269.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2881.975372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.975372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.975372 (E_RNA) where: Base-Base interactions energy: -2028.079 where: short stacking energy: -883.500 Base-Backbone interact. energy: 1.658 local terms energy: -855.554007 where: bonds (distance) C4'-P energy: -139.636 bonds (distance) P-C4' energy: -137.457 flat angles C4'-P-C4' energy: -189.638 flat angles P-C4'-P energy: -134.897 tors. eta vs tors. theta energy: -253.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2791.407356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.407356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.407356 (E_RNA) where: Base-Base interactions energy: -1936.585 where: short stacking energy: -853.838 Base-Backbone interact. energy: -3.233 local terms energy: -851.589072 where: bonds (distance) C4'-P energy: -147.722 bonds (distance) P-C4' energy: -139.873 flat angles C4'-P-C4' energy: -178.391 flat angles P-C4'-P energy: -122.936 tors. eta vs tors. theta energy: -262.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2710.529050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.529050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.529050 (E_RNA) where: Base-Base interactions energy: -1906.315 where: short stacking energy: -828.544 Base-Backbone interact. energy: -1.379 local terms energy: -802.834768 where: bonds (distance) C4'-P energy: -137.078 bonds (distance) P-C4' energy: -148.332 flat angles C4'-P-C4' energy: -167.359 flat angles P-C4'-P energy: -112.121 tors. eta vs tors. theta energy: -237.945 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: 61 Temperature: 1.150000 Total energy: -2467.089308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.089308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.089308 (E_RNA) where: Base-Base interactions energy: -1709.166 where: short stacking energy: -743.332 Base-Backbone interact. energy: -2.670 local terms energy: -755.253292 where: bonds (distance) C4'-P energy: -124.142 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -160.277 flat angles P-C4'-P energy: -113.227 tors. eta vs tors. theta energy: -214.145 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: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -2335.547841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.547841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.547841 (E_RNA) where: Base-Base interactions energy: -1589.527 where: short stacking energy: -706.654 Base-Backbone interact. energy: -0.819 local terms energy: -745.201275 where: bonds (distance) C4'-P energy: -119.175 bonds (distance) P-C4' energy: -138.959 flat angles C4'-P-C4' energy: -165.584 flat angles P-C4'-P energy: -113.102 tors. eta vs tors. theta energy: -208.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -2152.351751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.351751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.351751 (E_RNA) where: Base-Base interactions energy: -1453.545 where: short stacking energy: -610.715 Base-Backbone interact. energy: 1.342 local terms energy: -700.148770 where: bonds (distance) C4'-P energy: -140.415 bonds (distance) P-C4' energy: -147.744 flat angles C4'-P-C4' energy: -151.465 flat angles P-C4'-P energy: -92.677 tors. eta vs tors. theta energy: -167.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1837.578602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.578602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.578602 (E_RNA) where: Base-Base interactions energy: -1178.927 where: short stacking energy: -550.021 Base-Backbone interact. energy: -0.880 local terms energy: -657.771099 where: bonds (distance) C4'-P energy: -162.126 bonds (distance) P-C4' energy: -129.808 flat angles C4'-P-C4' energy: -142.036 flat angles P-C4'-P energy: -108.602 tors. eta vs tors. theta energy: -115.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1163.451221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.451221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.451221 (E_RNA) where: Base-Base interactions energy: -676.020 where: short stacking energy: -350.838 Base-Backbone interact. energy: 3.047 local terms energy: -490.477730 where: bonds (distance) C4'-P energy: -138.635 bonds (distance) P-C4' energy: -141.343 flat angles C4'-P-C4' energy: -140.111 flat angles P-C4'-P energy: -59.395 tors. eta vs tors. theta energy: -10.995 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: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -3106.403664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.403664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.403664 (E_RNA) where: Base-Base interactions energy: -2166.612 where: short stacking energy: -919.272 Base-Backbone interact. energy: 2.299 local terms energy: -942.090709 where: bonds (distance) C4'-P energy: -156.891 bonds (distance) P-C4' energy: -175.117 flat angles C4'-P-C4' energy: -204.443 flat angles P-C4'-P energy: -142.609 tors. eta vs tors. theta energy: -263.031 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: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2931.859714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.859714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.859714 (E_RNA) where: Base-Base interactions energy: -2026.785 where: short stacking energy: -905.024 Base-Backbone interact. energy: -3.170 local terms energy: -901.905081 where: bonds (distance) C4'-P energy: -158.577 bonds (distance) P-C4' energy: -165.324 flat angles C4'-P-C4' energy: -184.117 flat angles P-C4'-P energy: -128.241 tors. eta vs tors. theta energy: -265.646 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: 3, replica: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2889.128188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.128188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.128188 (E_RNA) where: Base-Base interactions energy: -2016.254 where: short stacking energy: -862.987 Base-Backbone interact. energy: -2.447 local terms energy: -870.426374 where: bonds (distance) C4'-P energy: -156.882 bonds (distance) P-C4' energy: -164.194 flat angles C4'-P-C4' energy: -184.601 flat angles P-C4'-P energy: -127.039 tors. eta vs tors. theta energy: -237.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2804.031081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.031081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.031081 (E_RNA) where: Base-Base interactions energy: -1947.462 where: short stacking energy: -853.485 Base-Backbone interact. energy: -2.476 local terms energy: -854.093518 where: bonds (distance) C4'-P energy: -178.867 bonds (distance) P-C4' energy: -124.694 flat angles C4'-P-C4' energy: -180.009 flat angles P-C4'-P energy: -115.204 tors. eta vs tors. theta energy: -255.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2695.134538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.134538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.134538 (E_RNA) where: Base-Base interactions energy: -1888.893 where: short stacking energy: -845.006 Base-Backbone interact. energy: 1.687 local terms energy: -807.927798 where: bonds (distance) C4'-P energy: -151.838 bonds (distance) P-C4' energy: -136.473 flat angles C4'-P-C4' energy: -170.175 flat angles P-C4'-P energy: -114.589 tors. eta vs tors. theta energy: -234.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2443.249079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.249079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.249079 (E_RNA) where: Base-Base interactions energy: -1669.624 where: short stacking energy: -714.706 Base-Backbone interact. energy: -0.676 local terms energy: -772.948983 where: bonds (distance) C4'-P energy: -141.938 bonds (distance) P-C4' energy: -144.282 flat angles C4'-P-C4' energy: -167.398 flat angles P-C4'-P energy: -120.941 tors. eta vs tors. theta energy: -198.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -2289.165869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.165869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.165869 (E_RNA) where: Base-Base interactions energy: -1570.848 where: short stacking energy: -725.779 Base-Backbone interact. energy: -2.710 local terms energy: -715.607712 where: bonds (distance) C4'-P energy: -124.812 bonds (distance) P-C4' energy: -124.831 flat angles C4'-P-C4' energy: -157.986 flat angles P-C4'-P energy: -106.236 tors. eta vs tors. theta energy: -201.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -2160.573899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.573899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.573899 (E_RNA) where: Base-Base interactions energy: -1469.285 where: short stacking energy: -633.622 Base-Backbone interact. energy: -2.795 local terms energy: -688.494531 where: bonds (distance) C4'-P energy: -135.199 bonds (distance) P-C4' energy: -141.097 flat angles C4'-P-C4' energy: -146.702 flat angles P-C4'-P energy: -97.398 tors. eta vs tors. theta energy: -168.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1944.050389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.050389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.050389 (E_RNA) where: Base-Base interactions energy: -1330.650 where: short stacking energy: -585.864 Base-Backbone interact. energy: 1.594 local terms energy: -614.994257 where: bonds (distance) C4'-P energy: -124.352 bonds (distance) P-C4' energy: -118.518 flat angles C4'-P-C4' energy: -155.478 flat angles P-C4'-P energy: -87.223 tors. eta vs tors. theta energy: -129.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1208.857852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.857852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.857852 (E_RNA) where: Base-Base interactions energy: -715.425 where: short stacking energy: -351.953 Base-Backbone interact. energy: 3.505 local terms energy: -496.937766 where: bonds (distance) C4'-P energy: -136.281 bonds (distance) P-C4' energy: -121.332 flat angles C4'-P-C4' energy: -117.976 flat angles P-C4'-P energy: -93.769 tors. eta vs tors. theta energy: -27.579 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: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -3092.556232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.556232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.556232 (E_RNA) where: Base-Base interactions energy: -2148.425 where: short stacking energy: -937.284 Base-Backbone interact. energy: -2.679 local terms energy: -941.452147 where: bonds (distance) C4'-P energy: -154.006 bonds (distance) P-C4' energy: -172.120 flat angles C4'-P-C4' energy: -199.141 flat angles P-C4'-P energy: -136.853 tors. eta vs tors. theta energy: -279.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2926.030708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.030708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.030708 (E_RNA) where: Base-Base interactions energy: -2006.995 where: short stacking energy: -898.406 Base-Backbone interact. energy: -2.652 local terms energy: -916.383355 where: bonds (distance) C4'-P energy: -165.641 bonds (distance) P-C4' energy: -150.083 flat angles C4'-P-C4' energy: -191.018 flat angles P-C4'-P energy: -140.003 tors. eta vs tors. theta energy: -269.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2900.883138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.883138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.883138 (E_RNA) where: Base-Base interactions energy: -2025.366 where: short stacking energy: -894.106 Base-Backbone interact. energy: -2.046 local terms energy: -873.471351 where: bonds (distance) C4'-P energy: -144.411 bonds (distance) P-C4' energy: -150.530 flat angles C4'-P-C4' energy: -189.274 flat angles P-C4'-P energy: -130.231 tors. eta vs tors. theta energy: -259.026 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: 63 Temperature: 1.050000 Total energy: -2786.274922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.274922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.274922 (E_RNA) where: Base-Base interactions energy: -1910.608 where: short stacking energy: -848.618 Base-Backbone interact. energy: -2.917 local terms energy: -872.749554 where: bonds (distance) C4'-P energy: -151.700 bonds (distance) P-C4' energy: -152.141 flat angles C4'-P-C4' energy: -178.258 flat angles P-C4'-P energy: -129.951 tors. eta vs tors. theta energy: -260.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2683.010320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.010320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.010320 (E_RNA) where: Base-Base interactions energy: -1859.345 where: short stacking energy: -810.752 Base-Backbone interact. energy: -2.887 local terms energy: -820.778222 where: bonds (distance) C4'-P energy: -153.896 bonds (distance) P-C4' energy: -142.872 flat angles C4'-P-C4' energy: -177.667 flat angles P-C4'-P energy: -105.055 tors. eta vs tors. theta energy: -241.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2473.756615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.756615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.756615 (E_RNA) where: Base-Base interactions energy: -1709.604 where: short stacking energy: -760.099 Base-Backbone interact. energy: 1.827 local terms energy: -765.980135 where: bonds (distance) C4'-P energy: -130.188 bonds (distance) P-C4' energy: -145.502 flat angles C4'-P-C4' energy: -156.413 flat angles P-C4'-P energy: -111.631 tors. eta vs tors. theta energy: -222.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -2305.612973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.612973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.612973 (E_RNA) where: Base-Base interactions energy: -1623.639 where: short stacking energy: -723.801 Base-Backbone interact. energy: -0.439 local terms energy: -681.534945 where: bonds (distance) C4'-P energy: -117.987 bonds (distance) P-C4' energy: -136.048 flat angles C4'-P-C4' energy: -142.371 flat angles P-C4'-P energy: -99.245 tors. eta vs tors. theta energy: -185.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -2204.803374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.803374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.803374 (E_RNA) where: Base-Base interactions energy: -1488.154 where: short stacking energy: -646.826 Base-Backbone interact. energy: 0.045 local terms energy: -716.694512 where: bonds (distance) C4'-P energy: -155.010 bonds (distance) P-C4' energy: -145.287 flat angles C4'-P-C4' energy: -155.065 flat angles P-C4'-P energy: -81.189 tors. eta vs tors. theta energy: -180.143 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: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1977.165859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.165859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.165859 (E_RNA) where: Base-Base interactions energy: -1327.246 where: short stacking energy: -593.293 Base-Backbone interact. energy: -1.262 local terms energy: -648.657743 where: bonds (distance) C4'-P energy: -128.408 bonds (distance) P-C4' energy: -128.894 flat angles C4'-P-C4' energy: -138.241 flat angles P-C4'-P energy: -100.425 tors. eta vs tors. theta energy: -152.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1197.450407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.450407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.450407 (E_RNA) where: Base-Base interactions energy: -723.762 where: short stacking energy: -367.952 Base-Backbone interact. energy: 0.801 local terms energy: -474.489268 where: bonds (distance) C4'-P energy: -106.633 bonds (distance) P-C4' energy: -140.871 flat angles C4'-P-C4' energy: -122.127 flat angles P-C4'-P energy: -54.167 tors. eta vs tors. theta energy: -50.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -3078.938195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.938195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.938195 (E_RNA) where: Base-Base interactions energy: -2142.372 where: short stacking energy: -941.515 Base-Backbone interact. energy: -3.340 local terms energy: -933.225985 where: bonds (distance) C4'-P energy: -161.701 bonds (distance) P-C4' energy: -167.271 flat angles C4'-P-C4' energy: -199.904 flat angles P-C4'-P energy: -127.200 tors. eta vs tors. theta energy: -277.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2911.957433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.957433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.957433 (E_RNA) where: Base-Base interactions energy: -1998.573 where: short stacking energy: -875.805 Base-Backbone interact. energy: -2.236 local terms energy: -911.148160 where: bonds (distance) C4'-P energy: -166.827 bonds (distance) P-C4' energy: -170.125 flat angles C4'-P-C4' energy: -198.607 flat angles P-C4'-P energy: -114.444 tors. eta vs tors. theta energy: -261.145 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: 2 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2878.725497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.725497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.725497 (E_RNA) where: Base-Base interactions energy: -2001.998 where: short stacking energy: -881.172 Base-Backbone interact. energy: -6.859 local terms energy: -869.868443 where: bonds (distance) C4'-P energy: -164.310 bonds (distance) P-C4' energy: -150.764 flat angles C4'-P-C4' energy: -188.220 flat angles P-C4'-P energy: -125.222 tors. eta vs tors. theta energy: -241.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2759.604979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.604979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.604979 (E_RNA) where: Base-Base interactions energy: -1902.663 where: short stacking energy: -840.697 Base-Backbone interact. energy: -3.716 local terms energy: -853.225221 where: bonds (distance) C4'-P energy: -140.996 bonds (distance) P-C4' energy: -150.430 flat angles C4'-P-C4' energy: -186.214 flat angles P-C4'-P energy: -122.458 tors. eta vs tors. theta energy: -253.126 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: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2710.077220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.077220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.077220 (E_RNA) where: Base-Base interactions energy: -1871.087 where: short stacking energy: -833.105 Base-Backbone interact. energy: -4.052 local terms energy: -834.938229 where: bonds (distance) C4'-P energy: -149.090 bonds (distance) P-C4' energy: -133.345 flat angles C4'-P-C4' energy: -183.610 flat angles P-C4'-P energy: -115.579 tors. eta vs tors. theta energy: -253.314 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: 64 Temperature: 1.150000 Total energy: -2460.540056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.540056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.540056 (E_RNA) where: Base-Base interactions energy: -1694.775 where: short stacking energy: -751.413 Base-Backbone interact. energy: -0.241 local terms energy: -765.524189 where: bonds (distance) C4'-P energy: -142.978 bonds (distance) P-C4' energy: -143.202 flat angles C4'-P-C4' energy: -175.268 flat angles P-C4'-P energy: -99.066 tors. eta vs tors. theta energy: -205.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -2333.384812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.384812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.384812 (E_RNA) where: Base-Base interactions energy: -1601.464 where: short stacking energy: -687.728 Base-Backbone interact. energy: -2.819 local terms energy: -729.101477 where: bonds (distance) C4'-P energy: -135.732 bonds (distance) P-C4' energy: -152.472 flat angles C4'-P-C4' energy: -147.171 flat angles P-C4'-P energy: -103.317 tors. eta vs tors. theta energy: -190.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -2200.201220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.201220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.201220 (E_RNA) where: Base-Base interactions energy: -1524.877 where: short stacking energy: -666.317 Base-Backbone interact. energy: 0.700 local terms energy: -676.024074 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -118.714 flat angles C4'-P-C4' energy: -161.217 flat angles P-C4'-P energy: -95.283 tors. eta vs tors. theta energy: -179.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1873.321735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.321735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.321735 (E_RNA) where: Base-Base interactions energy: -1267.537 where: short stacking energy: -577.746 Base-Backbone interact. energy: -4.628 local terms energy: -601.157209 where: bonds (distance) C4'-P energy: -102.882 bonds (distance) P-C4' energy: -146.081 flat angles C4'-P-C4' energy: -140.102 flat angles P-C4'-P energy: -84.800 tors. eta vs tors. theta energy: -127.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1266.297007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.297007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.297007 (E_RNA) where: Base-Base interactions energy: -770.496 where: short stacking energy: -380.606 Base-Backbone interact. energy: -0.017 local terms energy: -495.784458 where: bonds (distance) C4'-P energy: -108.755 bonds (distance) P-C4' energy: -150.313 flat angles C4'-P-C4' energy: -123.508 flat angles P-C4'-P energy: -67.935 tors. eta vs tors. theta energy: -45.274 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: 3 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -3084.316031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.316031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.316031 (E_RNA) where: Base-Base interactions energy: -2148.534 where: short stacking energy: -917.877 Base-Backbone interact. energy: -4.435 local terms energy: -931.347319 where: bonds (distance) C4'-P energy: -173.213 bonds (distance) P-C4' energy: -170.352 flat angles C4'-P-C4' energy: -192.715 flat angles P-C4'-P energy: -132.763 tors. eta vs tors. theta energy: -262.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2957.308183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.308183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.308183 (E_RNA) where: Base-Base interactions energy: -2041.821 where: short stacking energy: -892.606 Base-Backbone interact. energy: -3.494 local terms energy: -911.993257 where: bonds (distance) C4'-P energy: -170.456 bonds (distance) P-C4' energy: -168.829 flat angles C4'-P-C4' energy: -180.620 flat angles P-C4'-P energy: -131.890 tors. eta vs tors. theta energy: -260.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2860.350335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.350335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.350335 (E_RNA) where: Base-Base interactions energy: -1974.904 where: short stacking energy: -883.507 Base-Backbone interact. energy: 2.220 local terms energy: -887.667024 where: bonds (distance) C4'-P energy: -149.063 bonds (distance) P-C4' energy: -157.971 flat angles C4'-P-C4' energy: -176.546 flat angles P-C4'-P energy: -130.833 tors. eta vs tors. theta energy: -273.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2761.749227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.749227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.749227 (E_RNA) where: Base-Base interactions energy: -1902.419 where: short stacking energy: -854.144 Base-Backbone interact. energy: -0.863 local terms energy: -858.466588 where: bonds (distance) C4'-P energy: -156.443 bonds (distance) P-C4' energy: -156.561 flat angles C4'-P-C4' energy: -183.919 flat angles P-C4'-P energy: -111.112 tors. eta vs tors. theta energy: -250.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2661.462696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.462696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.462696 (E_RNA) where: Base-Base interactions energy: -1836.491 where: short stacking energy: -816.179 Base-Backbone interact. energy: -2.557 local terms energy: -822.414536 where: bonds (distance) C4'-P energy: -128.026 bonds (distance) P-C4' energy: -145.736 flat angles C4'-P-C4' energy: -194.239 flat angles P-C4'-P energy: -104.524 tors. eta vs tors. theta energy: -249.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2463.369428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.369428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.369428 (E_RNA) where: Base-Base interactions energy: -1722.119 where: short stacking energy: -734.438 Base-Backbone interact. energy: 0.228 local terms energy: -741.478312 where: bonds (distance) C4'-P energy: -137.687 bonds (distance) P-C4' energy: -117.235 flat angles C4'-P-C4' energy: -167.599 flat angles P-C4'-P energy: -107.442 tors. eta vs tors. theta energy: -211.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -2325.974674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.974674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.974674 (E_RNA) where: Base-Base interactions energy: -1568.601 where: short stacking energy: -713.793 Base-Backbone interact. energy: -3.658 local terms energy: -753.715601 where: bonds (distance) C4'-P energy: -131.842 bonds (distance) P-C4' energy: -153.139 flat angles C4'-P-C4' energy: -161.210 flat angles P-C4'-P energy: -102.125 tors. eta vs tors. theta energy: -205.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -2154.341465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.341465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.341465 (E_RNA) where: Base-Base interactions energy: -1443.340 where: short stacking energy: -604.878 Base-Backbone interact. energy: -2.199 local terms energy: -708.802448 where: bonds (distance) C4'-P energy: -158.309 bonds (distance) P-C4' energy: -143.115 flat angles C4'-P-C4' energy: -166.684 flat angles P-C4'-P energy: -89.715 tors. eta vs tors. theta energy: -150.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1826.016915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.016915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.016915 (E_RNA) where: Base-Base interactions energy: -1249.917 where: short stacking energy: -542.258 Base-Backbone interact. energy: -3.874 local terms energy: -572.226720 where: bonds (distance) C4'-P energy: -128.547 bonds (distance) P-C4' energy: -116.765 flat angles C4'-P-C4' energy: -139.928 flat angles P-C4'-P energy: -83.150 tors. eta vs tors. theta energy: -103.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1252.712796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.712796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.712796 (E_RNA) where: Base-Base interactions energy: -753.189 where: short stacking energy: -367.507 Base-Backbone interact. energy: 5.440 local terms energy: -504.963994 where: bonds (distance) C4'-P energy: -147.983 bonds (distance) P-C4' energy: -132.698 flat angles C4'-P-C4' energy: -107.737 flat angles P-C4'-P energy: -66.323 tors. eta vs tors. theta energy: -50.222 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: 3 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -3096.305040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.305040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.305040 (E_RNA) where: Base-Base interactions energy: -2175.617 where: short stacking energy: -923.114 Base-Backbone interact. energy: 0.495 local terms energy: -921.183086 where: bonds (distance) C4'-P energy: -165.838 bonds (distance) P-C4' energy: -166.768 flat angles C4'-P-C4' energy: -193.623 flat angles P-C4'-P energy: -116.716 tors. eta vs tors. theta energy: -278.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2926.771743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.771743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.771743 (E_RNA) where: Base-Base interactions energy: -2032.805 where: short stacking energy: -887.578 Base-Backbone interact. energy: -4.755 local terms energy: -889.212643 where: bonds (distance) C4'-P energy: -152.185 bonds (distance) P-C4' energy: -160.523 flat angles C4'-P-C4' energy: -188.826 flat angles P-C4'-P energy: -128.719 tors. eta vs tors. theta energy: -258.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2906.977045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.977045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.977045 (E_RNA) where: Base-Base interactions energy: -2004.894 where: short stacking energy: -881.891 Base-Backbone interact. energy: -2.668 local terms energy: -899.414803 where: bonds (distance) C4'-P energy: -147.748 bonds (distance) P-C4' energy: -163.620 flat angles C4'-P-C4' energy: -189.962 flat angles P-C4'-P energy: -118.867 tors. eta vs tors. theta energy: -279.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2794.300631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.300631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.300631 (E_RNA) where: Base-Base interactions energy: -1944.073 where: short stacking energy: -861.773 Base-Backbone interact. energy: -1.466 local terms energy: -848.760865 where: bonds (distance) C4'-P energy: -146.005 bonds (distance) P-C4' energy: -156.435 flat angles C4'-P-C4' energy: -177.743 flat angles P-C4'-P energy: -112.826 tors. eta vs tors. theta energy: -255.752 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: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2620.541134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.541134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.541134 (E_RNA) where: Base-Base interactions energy: -1817.656 where: short stacking energy: -792.626 Base-Backbone interact. energy: -2.602 local terms energy: -800.282573 where: bonds (distance) C4'-P energy: -150.595 bonds (distance) P-C4' energy: -143.338 flat angles C4'-P-C4' energy: -170.659 flat angles P-C4'-P energy: -113.154 tors. eta vs tors. theta energy: -222.537 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: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2489.605042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.605042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.605042 (E_RNA) where: Base-Base interactions energy: -1711.919 where: short stacking energy: -740.741 Base-Backbone interact. energy: -0.977 local terms energy: -776.708967 where: bonds (distance) C4'-P energy: -141.953 bonds (distance) P-C4' energy: -135.562 flat angles C4'-P-C4' energy: -168.629 flat angles P-C4'-P energy: -124.161 tors. eta vs tors. theta energy: -206.403 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: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -2313.004551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.004551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.004551 (E_RNA) where: Base-Base interactions energy: -1562.178 where: short stacking energy: -715.017 Base-Backbone interact. energy: -5.344 local terms energy: -745.482509 where: bonds (distance) C4'-P energy: -148.340 bonds (distance) P-C4' energy: -145.129 flat angles C4'-P-C4' energy: -149.595 flat angles P-C4'-P energy: -94.019 tors. eta vs tors. theta energy: -208.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -2102.183077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.183077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.183077 (E_RNA) where: Base-Base interactions energy: -1424.052 where: short stacking energy: -623.868 Base-Backbone interact. energy: 0.849 local terms energy: -678.979895 where: bonds (distance) C4'-P energy: -144.416 bonds (distance) P-C4' energy: -145.928 flat angles C4'-P-C4' energy: -152.112 flat angles P-C4'-P energy: -87.694 tors. eta vs tors. theta energy: -148.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1849.857808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.857808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.857808 (E_RNA) where: Base-Base interactions energy: -1218.815 where: short stacking energy: -547.098 Base-Backbone interact. energy: 6.078 local terms energy: -637.120755 where: bonds (distance) C4'-P energy: -149.938 bonds (distance) P-C4' energy: -128.157 flat angles C4'-P-C4' energy: -145.851 flat angles P-C4'-P energy: -86.087 tors. eta vs tors. theta energy: -127.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1245.484013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.484013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.484013 (E_RNA) where: Base-Base interactions energy: -744.434 where: short stacking energy: -373.654 Base-Backbone interact. energy: -1.434 local terms energy: -499.615773 where: bonds (distance) C4'-P energy: -115.401 bonds (distance) P-C4' energy: -143.664 flat angles C4'-P-C4' energy: -107.614 flat angles P-C4'-P energy: -88.660 tors. eta vs tors. theta energy: -44.277 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: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -3087.405563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.405563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.405563 (E_RNA) where: Base-Base interactions energy: -2152.295 where: short stacking energy: -923.782 Base-Backbone interact. energy: 0.276 local terms energy: -935.386210 where: bonds (distance) C4'-P energy: -172.170 bonds (distance) P-C4' energy: -172.766 flat angles C4'-P-C4' energy: -191.066 flat angles P-C4'-P energy: -127.812 tors. eta vs tors. theta energy: -271.572 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: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2930.608621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.608621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.608621 (E_RNA) where: Base-Base interactions energy: -2022.636 where: short stacking energy: -893.080 Base-Backbone interact. energy: -0.428 local terms energy: -907.544292 where: bonds (distance) C4'-P energy: -159.071 bonds (distance) P-C4' energy: -166.712 flat angles C4'-P-C4' energy: -195.436 flat angles P-C4'-P energy: -135.346 tors. eta vs tors. theta energy: -250.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2858.209110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.209110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.209110 (E_RNA) where: Base-Base interactions energy: -1974.725 where: short stacking energy: -855.930 Base-Backbone interact. energy: -3.810 local terms energy: -879.673825 where: bonds (distance) C4'-P energy: -150.448 bonds (distance) P-C4' energy: -160.319 flat angles C4'-P-C4' energy: -182.097 flat angles P-C4'-P energy: -130.763 tors. eta vs tors. theta energy: -256.048 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: 67 Temperature: 1.050000 Total energy: -2780.585282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.585282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.585282 (E_RNA) where: Base-Base interactions energy: -1901.173 where: short stacking energy: -842.695 Base-Backbone interact. energy: -3.083 local terms energy: -876.329637 where: bonds (distance) C4'-P energy: -165.996 bonds (distance) P-C4' energy: -145.356 flat angles C4'-P-C4' energy: -183.542 flat angles P-C4'-P energy: -127.335 tors. eta vs tors. theta energy: -254.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2656.258000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.258000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.258000 (E_RNA) where: Base-Base interactions energy: -1847.706 where: short stacking energy: -792.683 Base-Backbone interact. energy: -5.280 local terms energy: -803.272108 where: bonds (distance) C4'-P energy: -136.437 bonds (distance) P-C4' energy: -144.295 flat angles C4'-P-C4' energy: -174.416 flat angles P-C4'-P energy: -120.659 tors. eta vs tors. theta energy: -227.465 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: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2413.807349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.807349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.807349 (E_RNA) where: Base-Base interactions energy: -1639.088 where: short stacking energy: -715.883 Base-Backbone interact. energy: -0.556 local terms energy: -774.162688 where: bonds (distance) C4'-P energy: -145.585 bonds (distance) P-C4' energy: -153.583 flat angles C4'-P-C4' energy: -169.088 flat angles P-C4'-P energy: -104.295 tors. eta vs tors. theta energy: -201.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -2384.279139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.279139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.279139 (E_RNA) where: Base-Base interactions energy: -1657.648 where: short stacking energy: -707.122 Base-Backbone interact. energy: -1.910 local terms energy: -724.721528 where: bonds (distance) C4'-P energy: -147.177 bonds (distance) P-C4' energy: -134.139 flat angles C4'-P-C4' energy: -154.197 flat angles P-C4'-P energy: -101.869 tors. eta vs tors. theta energy: -187.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -2107.743821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.743821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.743821 (E_RNA) where: Base-Base interactions energy: -1409.737 where: short stacking energy: -640.121 Base-Backbone interact. energy: -3.990 local terms energy: -694.016602 where: bonds (distance) C4'-P energy: -138.190 bonds (distance) P-C4' energy: -150.307 flat angles C4'-P-C4' energy: -160.817 flat angles P-C4'-P energy: -84.417 tors. eta vs tors. theta energy: -160.286 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: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1936.303131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.303131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.303131 (E_RNA) where: Base-Base interactions energy: -1301.542 where: short stacking energy: -585.461 Base-Backbone interact. energy: 0.153 local terms energy: -634.913961 where: bonds (distance) C4'-P energy: -147.811 bonds (distance) P-C4' energy: -114.514 flat angles C4'-P-C4' energy: -133.094 flat angles P-C4'-P energy: -93.907 tors. eta vs tors. theta energy: -145.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1278.014344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.014344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.014344 (E_RNA) where: Base-Base interactions energy: -804.366 where: short stacking energy: -395.507 Base-Backbone interact. energy: -1.418 local terms energy: -472.230409 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -101.575 flat angles C4'-P-C4' energy: -119.331 flat angles P-C4'-P energy: -67.697 tors. eta vs tors. theta energy: -57.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -3095.441148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.441148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.441148 (E_RNA) where: Base-Base interactions energy: -2210.355 where: short stacking energy: -914.850 Base-Backbone interact. energy: -6.277 local terms energy: -878.809443 where: bonds (distance) C4'-P energy: -151.987 bonds (distance) P-C4' energy: -150.329 flat angles C4'-P-C4' energy: -188.204 flat angles P-C4'-P energy: -123.061 tors. eta vs tors. theta energy: -265.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2910.688535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.688535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.688535 (E_RNA) where: Base-Base interactions energy: -2032.424 where: short stacking energy: -888.501 Base-Backbone interact. energy: -2.055 local terms energy: -876.209724 where: bonds (distance) C4'-P energy: -151.694 bonds (distance) P-C4' energy: -166.598 flat angles C4'-P-C4' energy: -184.252 flat angles P-C4'-P energy: -109.447 tors. eta vs tors. theta energy: -264.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2851.492387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.492387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.492387 (E_RNA) where: Base-Base interactions energy: -1993.002 where: short stacking energy: -894.932 Base-Backbone interact. energy: -2.039 local terms energy: -856.451948 where: bonds (distance) C4'-P energy: -142.476 bonds (distance) P-C4' energy: -158.144 flat angles C4'-P-C4' energy: -169.308 flat angles P-C4'-P energy: -128.389 tors. eta vs tors. theta energy: -258.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2794.182204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.182204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.182204 (E_RNA) where: Base-Base interactions energy: -1908.322 where: short stacking energy: -871.407 Base-Backbone interact. energy: -4.025 local terms energy: -881.835442 where: bonds (distance) C4'-P energy: -146.800 bonds (distance) P-C4' energy: -158.339 flat angles C4'-P-C4' energy: -183.407 flat angles P-C4'-P energy: -126.414 tors. eta vs tors. theta energy: -266.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2668.781897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.781897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.781897 (E_RNA) where: Base-Base interactions energy: -1858.040 where: short stacking energy: -790.743 Base-Backbone interact. energy: -4.577 local terms energy: -806.165231 where: bonds (distance) C4'-P energy: -126.967 bonds (distance) P-C4' energy: -146.887 flat angles C4'-P-C4' energy: -176.730 flat angles P-C4'-P energy: -118.846 tors. eta vs tors. theta energy: -236.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2495.942811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.942811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.942811 (E_RNA) where: Base-Base interactions energy: -1694.034 where: short stacking energy: -742.400 Base-Backbone interact. energy: -4.880 local terms energy: -797.028758 where: bonds (distance) C4'-P energy: -134.893 bonds (distance) P-C4' energy: -131.260 flat angles C4'-P-C4' energy: -183.733 flat angles P-C4'-P energy: -129.106 tors. eta vs tors. theta energy: -218.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -2398.856224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.856224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.856224 (E_RNA) where: Base-Base interactions energy: -1633.533 where: short stacking energy: -710.571 Base-Backbone interact. energy: -3.009 local terms energy: -762.314917 where: bonds (distance) C4'-P energy: -152.439 bonds (distance) P-C4' energy: -135.717 flat angles C4'-P-C4' energy: -154.667 flat angles P-C4'-P energy: -114.741 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: 8, replica: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -2102.547266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.547266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.547266 (E_RNA) where: Base-Base interactions energy: -1457.142 where: short stacking energy: -628.292 Base-Backbone interact. energy: -2.572 local terms energy: -642.833245 where: bonds (distance) C4'-P energy: -119.363 bonds (distance) P-C4' energy: -120.895 flat angles C4'-P-C4' energy: -155.704 flat angles P-C4'-P energy: -95.923 tors. eta vs tors. theta energy: -150.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1838.655498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.655498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.655498 (E_RNA) where: Base-Base interactions energy: -1244.822 where: short stacking energy: -553.504 Base-Backbone interact. energy: -1.708 local terms energy: -592.124846 where: bonds (distance) C4'-P energy: -127.911 bonds (distance) P-C4' energy: -131.513 flat angles C4'-P-C4' energy: -134.806 flat angles P-C4'-P energy: -88.959 tors. eta vs tors. theta energy: -108.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1187.574168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.574168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.574168 (E_RNA) where: Base-Base interactions energy: -693.095 where: short stacking energy: -365.878 Base-Backbone interact. energy: 3.331 local terms energy: -497.809651 where: bonds (distance) C4'-P energy: -110.570 bonds (distance) P-C4' energy: -138.640 flat angles C4'-P-C4' energy: -122.727 flat angles P-C4'-P energy: -93.153 tors. eta vs tors. theta energy: -32.720 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: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -3082.671489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.671489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.671489 (E_RNA) where: Base-Base interactions energy: -2148.241 where: short stacking energy: -929.389 Base-Backbone interact. energy: -2.425 local terms energy: -932.005489 where: bonds (distance) C4'-P energy: -159.577 bonds (distance) P-C4' energy: -166.030 flat angles C4'-P-C4' energy: -199.165 flat angles P-C4'-P energy: -135.070 tors. eta vs tors. theta energy: -272.164 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: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2936.661547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.661547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.661547 (E_RNA) where: Base-Base interactions energy: -2034.067 where: short stacking energy: -902.801 Base-Backbone interact. energy: -5.983 local terms energy: -896.611564 where: bonds (distance) C4'-P energy: -151.787 bonds (distance) P-C4' energy: -167.676 flat angles C4'-P-C4' energy: -178.524 flat angles P-C4'-P energy: -137.579 tors. eta vs tors. theta energy: -261.045 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: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2895.203254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.203254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.203254 (E_RNA) where: Base-Base interactions energy: -2017.674 where: short stacking energy: -911.874 Base-Backbone interact. energy: -1.754 local terms energy: -875.775201 where: bonds (distance) C4'-P energy: -143.680 bonds (distance) P-C4' energy: -149.805 flat angles C4'-P-C4' energy: -192.147 flat angles P-C4'-P energy: -119.552 tors. eta vs tors. theta energy: -270.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2780.659534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.659534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.659534 (E_RNA) where: Base-Base interactions energy: -1924.815 where: short stacking energy: -877.704 Base-Backbone interact. energy: -2.377 local terms energy: -853.468152 where: bonds (distance) C4'-P energy: -150.619 bonds (distance) P-C4' energy: -149.991 flat angles C4'-P-C4' energy: -181.497 flat angles P-C4'-P energy: -119.373 tors. eta vs tors. theta energy: -251.987 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: 69 Temperature: 1.100000 Total energy: -2623.808526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.808526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.808526 (E_RNA) where: Base-Base interactions energy: -1790.268 where: short stacking energy: -783.464 Base-Backbone interact. energy: -3.011 local terms energy: -830.529531 where: bonds (distance) C4'-P energy: -153.961 bonds (distance) P-C4' energy: -148.422 flat angles C4'-P-C4' energy: -166.470 flat angles P-C4'-P energy: -111.731 tors. eta vs tors. theta energy: -249.946 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: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2476.893728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.893728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.893728 (E_RNA) where: Base-Base interactions energy: -1742.619 where: short stacking energy: -763.159 Base-Backbone interact. energy: -1.667 local terms energy: -732.607515 where: bonds (distance) C4'-P energy: -130.542 bonds (distance) P-C4' energy: -146.379 flat angles C4'-P-C4' energy: -157.598 flat angles P-C4'-P energy: -93.384 tors. eta vs tors. theta energy: -204.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -2331.959651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.959651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.959651 (E_RNA) where: Base-Base interactions energy: -1573.805 where: short stacking energy: -702.185 Base-Backbone interact. energy: -3.873 local terms energy: -754.281056 where: bonds (distance) C4'-P energy: -130.036 bonds (distance) P-C4' energy: -139.803 flat angles C4'-P-C4' energy: -175.623 flat angles P-C4'-P energy: -99.856 tors. eta vs tors. theta energy: -208.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -2139.235090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.235090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.235090 (E_RNA) where: Base-Base interactions energy: -1460.638 where: short stacking energy: -645.277 Base-Backbone interact. energy: -1.422 local terms energy: -677.175729 where: bonds (distance) C4'-P energy: -135.803 bonds (distance) P-C4' energy: -143.266 flat angles C4'-P-C4' energy: -157.898 flat angles P-C4'-P energy: -82.204 tors. eta vs tors. theta energy: -158.006 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: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1763.762031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.762031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.762031 (E_RNA) where: Base-Base interactions energy: -1163.611 where: short stacking energy: -510.467 Base-Backbone interact. energy: 3.281 local terms energy: -603.431772 where: bonds (distance) C4'-P energy: -139.192 bonds (distance) P-C4' energy: -135.840 flat angles C4'-P-C4' energy: -138.243 flat angles P-C4'-P energy: -90.376 tors. eta vs tors. theta energy: -99.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1140.489225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.489225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.489225 (E_RNA) where: Base-Base interactions energy: -651.398 where: short stacking energy: -323.842 Base-Backbone interact. energy: 0.253 local terms energy: -489.343864 where: bonds (distance) C4'-P energy: -123.952 bonds (distance) P-C4' energy: -141.636 flat angles C4'-P-C4' energy: -127.833 flat angles P-C4'-P energy: -64.955 tors. eta vs tors. theta energy: -30.968 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: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -3114.558097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.558097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.558097 (E_RNA) where: Base-Base interactions energy: -2189.452 where: short stacking energy: -958.408 Base-Backbone interact. energy: -6.154 local terms energy: -918.952419 where: bonds (distance) C4'-P energy: -160.284 bonds (distance) P-C4' energy: -144.684 flat angles C4'-P-C4' energy: -199.451 flat angles P-C4'-P energy: -134.024 tors. eta vs tors. theta energy: -280.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2939.088878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.088878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.088878 (E_RNA) where: Base-Base interactions energy: -2026.924 where: short stacking energy: -881.359 Base-Backbone interact. energy: -3.960 local terms energy: -908.204147 where: bonds (distance) C4'-P energy: -160.236 bonds (distance) P-C4' energy: -166.898 flat angles C4'-P-C4' energy: -194.901 flat angles P-C4'-P energy: -123.152 tors. eta vs tors. theta energy: -263.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2870.853806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.853806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.853806 (E_RNA) where: Base-Base interactions energy: -2010.813 where: short stacking energy: -885.130 Base-Backbone interact. energy: -4.605 local terms energy: -855.435757 where: bonds (distance) C4'-P energy: -141.474 bonds (distance) P-C4' energy: -147.537 flat angles C4'-P-C4' energy: -181.143 flat angles P-C4'-P energy: -123.036 tors. eta vs tors. theta energy: -262.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2784.319147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.319147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.319147 (E_RNA) where: Base-Base interactions energy: -1945.716 where: short stacking energy: -825.038 Base-Backbone interact. energy: -5.590 local terms energy: -833.013550 where: bonds (distance) C4'-P energy: -149.120 bonds (distance) P-C4' energy: -150.775 flat angles C4'-P-C4' energy: -181.020 flat angles P-C4'-P energy: -110.249 tors. eta vs tors. theta energy: -241.849 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: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2687.026329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.026329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.026329 (E_RNA) where: Base-Base interactions energy: -1867.502 where: short stacking energy: -791.288 Base-Backbone interact. energy: -5.859 local terms energy: -813.665281 where: bonds (distance) C4'-P energy: -146.923 bonds (distance) P-C4' energy: -155.334 flat angles C4'-P-C4' energy: -167.488 flat angles P-C4'-P energy: -99.389 tors. eta vs tors. theta energy: -244.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2457.201143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.201143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.201143 (E_RNA) where: Base-Base interactions energy: -1684.406 where: short stacking energy: -738.129 Base-Backbone interact. energy: -6.146 local terms energy: -766.648819 where: bonds (distance) C4'-P energy: -133.142 bonds (distance) P-C4' energy: -147.468 flat angles C4'-P-C4' energy: -160.965 flat angles P-C4'-P energy: -113.511 tors. eta vs tors. theta energy: -211.562 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: 6 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -2401.107762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.107762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.107762 (E_RNA) where: Base-Base interactions energy: -1676.794 where: short stacking energy: -722.079 Base-Backbone interact. energy: -2.277 local terms energy: -722.037357 where: bonds (distance) C4'-P energy: -105.118 bonds (distance) P-C4' energy: -144.748 flat angles C4'-P-C4' energy: -164.501 flat angles P-C4'-P energy: -113.274 tors. eta vs tors. theta energy: -194.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -2165.118889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.118889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.118889 (E_RNA) where: Base-Base interactions energy: -1458.657 where: short stacking energy: -641.703 Base-Backbone interact. energy: -1.052 local terms energy: -705.409757 where: bonds (distance) C4'-P energy: -139.871 bonds (distance) P-C4' energy: -151.119 flat angles C4'-P-C4' energy: -146.196 flat angles P-C4'-P energy: -93.415 tors. eta vs tors. theta energy: -174.809 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: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1729.902763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.902763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.902763 (E_RNA) where: Base-Base interactions energy: -1109.162 where: short stacking energy: -495.340 Base-Backbone interact. energy: -0.949 local terms energy: -619.791546 where: bonds (distance) C4'-P energy: -147.154 bonds (distance) P-C4' energy: -143.694 flat angles C4'-P-C4' energy: -142.592 flat angles P-C4'-P energy: -91.855 tors. eta vs tors. theta energy: -94.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1147.061294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.061294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.061294 (E_RNA) where: Base-Base interactions energy: -630.663 where: short stacking energy: -370.408 Base-Backbone interact. energy: -6.027 local terms energy: -510.371425 where: bonds (distance) C4'-P energy: -120.511 bonds (distance) P-C4' energy: -124.780 flat angles C4'-P-C4' energy: -142.808 flat angles P-C4'-P energy: -80.129 tors. eta vs tors. theta energy: -42.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -3104.456215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.456215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.456215 (E_RNA) where: Base-Base interactions energy: -2144.752 where: short stacking energy: -927.280 Base-Backbone interact. energy: -1.921 local terms energy: -957.783539 where: bonds (distance) C4'-P energy: -176.532 bonds (distance) P-C4' energy: -178.966 flat angles C4'-P-C4' energy: -189.617 flat angles P-C4'-P energy: -133.986 tors. eta vs tors. theta energy: -278.683 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: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2944.853325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.853325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.853325 (E_RNA) where: Base-Base interactions energy: -2049.462 where: short stacking energy: -929.597 Base-Backbone interact. energy: -2.716 local terms energy: -892.675155 where: bonds (distance) C4'-P energy: -157.257 bonds (distance) P-C4' energy: -169.953 flat angles C4'-P-C4' energy: -183.864 flat angles P-C4'-P energy: -110.930 tors. eta vs tors. theta energy: -270.671 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: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2834.520661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.520661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.520661 (E_RNA) where: Base-Base interactions energy: -1987.657 where: short stacking energy: -845.131 Base-Backbone interact. energy: -3.472 local terms energy: -843.391718 where: bonds (distance) C4'-P energy: -153.814 bonds (distance) P-C4' energy: -143.874 flat angles C4'-P-C4' energy: -177.806 flat angles P-C4'-P energy: -126.823 tors. eta vs tors. theta energy: -241.076 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: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2788.864803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.864803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.864803 (E_RNA) where: Base-Base interactions energy: -1932.885 where: short stacking energy: -836.054 Base-Backbone interact. energy: -2.693 local terms energy: -853.286576 where: bonds (distance) C4'-P energy: -154.323 bonds (distance) P-C4' energy: -150.650 flat angles C4'-P-C4' energy: -190.722 flat angles P-C4'-P energy: -105.491 tors. eta vs tors. theta energy: -252.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2655.318170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.318170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.318170 (E_RNA) where: Base-Base interactions energy: -1794.235 where: short stacking energy: -787.062 Base-Backbone interact. energy: -3.618 local terms energy: -857.465358 where: bonds (distance) C4'-P energy: -131.898 bonds (distance) P-C4' energy: -175.987 flat angles C4'-P-C4' energy: -180.588 flat angles P-C4'-P energy: -118.335 tors. eta vs tors. theta energy: -250.657 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: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2427.366856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.366856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.366856 (E_RNA) where: Base-Base interactions energy: -1687.161 where: short stacking energy: -747.200 Base-Backbone interact. energy: -4.895 local terms energy: -735.311313 where: bonds (distance) C4'-P energy: -134.160 bonds (distance) P-C4' energy: -133.062 flat angles C4'-P-C4' energy: -164.820 flat angles P-C4'-P energy: -96.185 tors. eta vs tors. theta energy: -207.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -2352.974477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.974477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.974477 (E_RNA) where: Base-Base interactions energy: -1579.447 where: short stacking energy: -671.965 Base-Backbone interact. energy: -0.412 local terms energy: -773.115163 where: bonds (distance) C4'-P energy: -133.854 bonds (distance) P-C4' energy: -143.870 flat angles C4'-P-C4' energy: -184.888 flat angles P-C4'-P energy: -124.464 tors. eta vs tors. theta energy: -186.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -2126.377626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.377626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.377626 (E_RNA) where: Base-Base interactions energy: -1466.783 where: short stacking energy: -588.238 Base-Backbone interact. energy: 0.439 local terms energy: -660.033710 where: bonds (distance) C4'-P energy: -148.331 bonds (distance) P-C4' energy: -126.481 flat angles C4'-P-C4' energy: -155.317 flat angles P-C4'-P energy: -91.089 tors. eta vs tors. theta energy: -138.816 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: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1749.627926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.627926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.627926 (E_RNA) where: Base-Base interactions energy: -1128.849 where: short stacking energy: -531.803 Base-Backbone interact. energy: 2.631 local terms energy: -623.409903 where: bonds (distance) C4'-P energy: -144.879 bonds (distance) P-C4' energy: -122.626 flat angles C4'-P-C4' energy: -130.812 flat angles P-C4'-P energy: -97.498 tors. eta vs tors. theta energy: -127.595 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: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1109.264158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.264158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.264158 (E_RNA) where: Base-Base interactions energy: -628.192 where: short stacking energy: -334.529 Base-Backbone interact. energy: -0.375 local terms energy: -480.697680 where: bonds (distance) C4'-P energy: -126.929 bonds (distance) P-C4' energy: -139.231 flat angles C4'-P-C4' energy: -91.190 flat angles P-C4'-P energy: -95.433 tors. eta vs tors. theta energy: -27.915 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: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -3097.573156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.573156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.573156 (E_RNA) where: Base-Base interactions energy: -2148.507 where: short stacking energy: -950.799 Base-Backbone interact. energy: -1.980 local terms energy: -947.085900 where: bonds (distance) C4'-P energy: -174.946 bonds (distance) P-C4' energy: -161.085 flat angles C4'-P-C4' energy: -199.244 flat angles P-C4'-P energy: -135.312 tors. eta vs tors. theta energy: -276.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2963.715514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.715514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.715514 (E_RNA) where: Base-Base interactions energy: -2024.182 where: short stacking energy: -921.313 Base-Backbone interact. energy: -2.559 local terms energy: -936.974198 where: bonds (distance) C4'-P energy: -162.371 bonds (distance) P-C4' energy: -160.403 flat angles C4'-P-C4' energy: -194.669 flat angles P-C4'-P energy: -143.377 tors. eta vs tors. theta energy: -276.154 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: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2851.013952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.013952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.013952 (E_RNA) where: Base-Base interactions energy: -2009.067 where: short stacking energy: -860.438 Base-Backbone interact. energy: -2.887 local terms energy: -839.060477 where: bonds (distance) C4'-P energy: -154.968 bonds (distance) P-C4' energy: -162.459 flat angles C4'-P-C4' energy: -173.379 flat angles P-C4'-P energy: -110.327 tors. eta vs tors. theta energy: -237.927 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: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2783.940570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.940570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.940570 (E_RNA) where: Base-Base interactions energy: -1939.676 where: short stacking energy: -869.125 Base-Backbone interact. energy: -3.605 local terms energy: -840.659659 where: bonds (distance) C4'-P energy: -138.658 bonds (distance) P-C4' energy: -153.826 flat angles C4'-P-C4' energy: -186.365 flat angles P-C4'-P energy: -103.898 tors. eta vs tors. theta energy: -257.913 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: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2739.178937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.178937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.178937 (E_RNA) where: Base-Base interactions energy: -1891.591 where: short stacking energy: -842.232 Base-Backbone interact. energy: -3.889 local terms energy: -843.698803 where: bonds (distance) C4'-P energy: -131.768 bonds (distance) P-C4' energy: -166.777 flat angles C4'-P-C4' energy: -169.391 flat angles P-C4'-P energy: -113.986 tors. eta vs tors. theta energy: -261.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2440.442977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.442977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.442977 (E_RNA) where: Base-Base interactions energy: -1706.520 where: short stacking energy: -749.125 Base-Backbone interact. energy: 0.199 local terms energy: -734.122117 where: bonds (distance) C4'-P energy: -131.675 bonds (distance) P-C4' energy: -131.655 flat angles C4'-P-C4' energy: -155.148 flat angles P-C4'-P energy: -106.720 tors. eta vs tors. theta energy: -208.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -2342.830888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.830888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.830888 (E_RNA) where: Base-Base interactions energy: -1629.451 where: short stacking energy: -705.480 Base-Backbone interact. energy: -4.267 local terms energy: -709.112543 where: bonds (distance) C4'-P energy: -127.839 bonds (distance) P-C4' energy: -121.780 flat angles C4'-P-C4' energy: -156.698 flat angles P-C4'-P energy: -108.063 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: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -2163.522791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.522791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.522791 (E_RNA) where: Base-Base interactions energy: -1487.728 where: short stacking energy: -645.217 Base-Backbone interact. energy: -3.475 local terms energy: -672.318930 where: bonds (distance) C4'-P energy: -132.915 bonds (distance) P-C4' energy: -141.150 flat angles C4'-P-C4' energy: -148.828 flat angles P-C4'-P energy: -86.631 tors. eta vs tors. theta energy: -162.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1781.858853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.858853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.858853 (E_RNA) where: Base-Base interactions energy: -1163.641 where: short stacking energy: -538.580 Base-Backbone interact. energy: 6.395 local terms energy: -624.612077 where: bonds (distance) C4'-P energy: -142.849 bonds (distance) P-C4' energy: -141.895 flat angles C4'-P-C4' energy: -159.480 flat angles P-C4'-P energy: -75.433 tors. eta vs tors. theta energy: -104.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1157.201340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.201340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.201340 (E_RNA) where: Base-Base interactions energy: -677.425 where: short stacking energy: -349.079 Base-Backbone interact. energy: 5.247 local terms energy: -485.022832 where: bonds (distance) C4'-P energy: -135.337 bonds (distance) P-C4' energy: -130.024 flat angles C4'-P-C4' energy: -130.228 flat angles P-C4'-P energy: -70.876 tors. eta vs tors. theta energy: -18.557 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: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -3118.432572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.432572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.432572 (E_RNA) where: Base-Base interactions energy: -2189.237 where: short stacking energy: -925.757 Base-Backbone interact. energy: -1.714 local terms energy: -927.481863 where: bonds (distance) C4'-P energy: -164.726 bonds (distance) P-C4' energy: -174.791 flat angles C4'-P-C4' energy: -197.114 flat angles P-C4'-P energy: -128.403 tors. eta vs tors. theta energy: -262.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2907.809684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.809684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.809684 (E_RNA) where: Base-Base interactions energy: -2014.059 where: short stacking energy: -910.989 Base-Backbone interact. energy: -1.815 local terms energy: -891.935447 where: bonds (distance) C4'-P energy: -152.266 bonds (distance) P-C4' energy: -148.706 flat angles C4'-P-C4' energy: -186.296 flat angles P-C4'-P energy: -137.374 tors. eta vs tors. theta energy: -267.293 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: 73 Temperature: 1.000000 Total energy: -2848.450673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.450673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.450673 (E_RNA) where: Base-Base interactions energy: -1986.613 where: short stacking energy: -886.067 Base-Backbone interact. energy: -4.949 local terms energy: -856.888662 where: bonds (distance) C4'-P energy: -145.663 bonds (distance) P-C4' energy: -154.492 flat angles C4'-P-C4' energy: -188.342 flat angles P-C4'-P energy: -119.094 tors. eta vs tors. theta energy: -249.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2800.776262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.776262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.776262 (E_RNA) where: Base-Base interactions energy: -1937.154 where: short stacking energy: -862.237 Base-Backbone interact. energy: -4.939 local terms energy: -858.682865 where: bonds (distance) C4'-P energy: -152.071 bonds (distance) P-C4' energy: -146.891 flat angles C4'-P-C4' energy: -180.259 flat angles P-C4'-P energy: -119.291 tors. eta vs tors. theta energy: -260.170 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: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2710.892423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.892423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.892423 (E_RNA) where: Base-Base interactions energy: -1884.794 where: short stacking energy: -819.179 Base-Backbone interact. energy: -5.914 local terms energy: -820.184193 where: bonds (distance) C4'-P energy: -137.030 bonds (distance) P-C4' energy: -138.500 flat angles C4'-P-C4' energy: -180.682 flat angles P-C4'-P energy: -125.048 tors. eta vs tors. theta energy: -238.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2383.191561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.191561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.191561 (E_RNA) where: Base-Base interactions energy: -1655.257 where: short stacking energy: -718.624 Base-Backbone interact. energy: 1.613 local terms energy: -729.547337 where: bonds (distance) C4'-P energy: -131.451 bonds (distance) P-C4' energy: -136.001 flat angles C4'-P-C4' energy: -174.426 flat angles P-C4'-P energy: -105.095 tors. eta vs tors. theta energy: -182.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -2266.106583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.106583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.106583 (E_RNA) where: Base-Base interactions energy: -1551.632 where: short stacking energy: -691.938 Base-Backbone interact. energy: -2.391 local terms energy: -712.084272 where: bonds (distance) C4'-P energy: -143.505 bonds (distance) P-C4' energy: -121.415 flat angles C4'-P-C4' energy: -167.589 flat angles P-C4'-P energy: -99.741 tors. eta vs tors. theta energy: -179.834 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: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -2222.437365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.437365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.437365 (E_RNA) where: Base-Base interactions energy: -1532.230 where: short stacking energy: -628.812 Base-Backbone interact. energy: -0.571 local terms energy: -689.636830 where: bonds (distance) C4'-P energy: -111.412 bonds (distance) P-C4' energy: -167.160 flat angles C4'-P-C4' energy: -150.727 flat angles P-C4'-P energy: -98.267 tors. eta vs tors. theta energy: -162.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1782.688941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.688941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.688941 (E_RNA) where: Base-Base interactions energy: -1189.057 where: short stacking energy: -516.078 Base-Backbone interact. energy: 4.125 local terms energy: -597.756549 where: bonds (distance) C4'-P energy: -131.005 bonds (distance) P-C4' energy: -134.730 flat angles C4'-P-C4' energy: -144.356 flat angles P-C4'-P energy: -86.207 tors. eta vs tors. theta energy: -101.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1188.185035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.185035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.185035 (E_RNA) where: Base-Base interactions energy: -694.319 where: short stacking energy: -358.621 Base-Backbone interact. energy: -1.932 local terms energy: -491.933629 where: bonds (distance) C4'-P energy: -122.168 bonds (distance) P-C4' energy: -121.904 flat angles C4'-P-C4' energy: -118.938 flat angles P-C4'-P energy: -78.653 tors. eta vs tors. theta energy: -50.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -3126.096743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.096743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.096743 (E_RNA) where: Base-Base interactions energy: -2203.284 where: short stacking energy: -943.694 Base-Backbone interact. energy: -3.288 local terms energy: -919.524630 where: bonds (distance) C4'-P energy: -151.761 bonds (distance) P-C4' energy: -158.385 flat angles C4'-P-C4' energy: -203.409 flat angles P-C4'-P energy: -129.336 tors. eta vs tors. theta energy: -276.633 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: 5 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2928.923425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.923425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.923425 (E_RNA) where: Base-Base interactions energy: -2001.890 where: short stacking energy: -890.368 Base-Backbone interact. energy: -1.946 local terms energy: -925.087264 where: bonds (distance) C4'-P energy: -161.394 bonds (distance) P-C4' energy: -171.261 flat angles C4'-P-C4' energy: -192.149 flat angles P-C4'-P energy: -132.434 tors. eta vs tors. theta energy: -267.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2838.903665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.903665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.903665 (E_RNA) where: Base-Base interactions energy: -1988.521 where: short stacking energy: -888.451 Base-Backbone interact. energy: -1.678 local terms energy: -848.704306 where: bonds (distance) C4'-P energy: -148.363 bonds (distance) P-C4' energy: -143.533 flat angles C4'-P-C4' energy: -183.605 flat angles P-C4'-P energy: -105.032 tors. eta vs tors. theta energy: -268.171 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: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2798.766941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.766941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.766941 (E_RNA) where: Base-Base interactions energy: -1931.264 where: short stacking energy: -848.153 Base-Backbone interact. energy: -3.428 local terms energy: -864.075153 where: bonds (distance) C4'-P energy: -147.366 bonds (distance) P-C4' energy: -154.875 flat angles C4'-P-C4' energy: -179.734 flat angles P-C4'-P energy: -128.158 tors. eta vs tors. theta energy: -253.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2671.490880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.490880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.490880 (E_RNA) where: Base-Base interactions energy: -1866.274 where: short stacking energy: -811.427 Base-Backbone interact. energy: 0.625 local terms energy: -805.841070 where: bonds (distance) C4'-P energy: -134.764 bonds (distance) P-C4' energy: -137.837 flat angles C4'-P-C4' energy: -182.809 flat angles P-C4'-P energy: -119.728 tors. eta vs tors. theta energy: -230.703 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: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -2453.385104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.385104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.385104 (E_RNA) where: Base-Base interactions energy: -1676.276 where: short stacking energy: -767.504 Base-Backbone interact. energy: -1.758 local terms energy: -775.351169 where: bonds (distance) C4'-P energy: -129.874 bonds (distance) P-C4' energy: -149.626 flat angles C4'-P-C4' energy: -156.880 flat angles P-C4'-P energy: -118.628 tors. eta vs tors. theta energy: -220.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -2233.881410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.881410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.881410 (E_RNA) where: Base-Base interactions energy: -1536.932 where: short stacking energy: -680.248 Base-Backbone interact. energy: -1.900 local terms energy: -695.049988 where: bonds (distance) C4'-P energy: -127.236 bonds (distance) P-C4' energy: -150.933 flat angles C4'-P-C4' energy: -137.840 flat angles P-C4'-P energy: -110.535 tors. eta vs tors. theta energy: -168.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -2154.580567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.580567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.580567 (E_RNA) where: Base-Base interactions energy: -1459.723 where: short stacking energy: -655.233 Base-Backbone interact. energy: -0.901 local terms energy: -693.956894 where: bonds (distance) C4'-P energy: -124.743 bonds (distance) P-C4' energy: -133.759 flat angles C4'-P-C4' energy: -154.518 flat angles P-C4'-P energy: -107.132 tors. eta vs tors. theta energy: -173.805 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: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1740.113442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.113442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.113442 (E_RNA) where: Base-Base interactions energy: -1126.924 where: short stacking energy: -523.352 Base-Backbone interact. energy: 6.106 local terms energy: -619.295228 where: bonds (distance) C4'-P energy: -140.753 bonds (distance) P-C4' energy: -134.746 flat angles C4'-P-C4' energy: -147.080 flat angles P-C4'-P energy: -79.121 tors. eta vs tors. theta energy: -117.595 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: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1212.585681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.585681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.585681 (E_RNA) where: Base-Base interactions energy: -760.258 where: short stacking energy: -356.700 Base-Backbone interact. energy: -0.846 local terms energy: -451.481160 where: bonds (distance) C4'-P energy: -115.788 bonds (distance) P-C4' energy: -142.882 flat angles C4'-P-C4' energy: -115.255 flat angles P-C4'-P energy: -37.930 tors. eta vs tors. theta energy: -39.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -3107.565404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.565404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.565404 (E_RNA) where: Base-Base interactions energy: -2144.871 where: short stacking energy: -954.364 Base-Backbone interact. energy: -4.763 local terms energy: -957.931448 where: bonds (distance) C4'-P energy: -174.623 bonds (distance) P-C4' energy: -157.795 flat angles C4'-P-C4' energy: -209.008 flat angles P-C4'-P energy: -129.760 tors. eta vs tors. theta energy: -286.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2946.719407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.719407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.719407 (E_RNA) where: Base-Base interactions energy: -2040.445 where: short stacking energy: -900.928 Base-Backbone interact. energy: -1.673 local terms energy: -904.602074 where: bonds (distance) C4'-P energy: -152.833 bonds (distance) P-C4' energy: -161.534 flat angles C4'-P-C4' energy: -192.108 flat angles P-C4'-P energy: -132.005 tors. eta vs tors. theta energy: -266.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2844.678556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.678556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.678556 (E_RNA) where: Base-Base interactions energy: -1938.290 where: short stacking energy: -901.015 Base-Backbone interact. energy: -3.553 local terms energy: -902.835261 where: bonds (distance) C4'-P energy: -145.227 bonds (distance) P-C4' energy: -162.531 flat angles C4'-P-C4' energy: -181.199 flat angles P-C4'-P energy: -131.214 tors. eta vs tors. theta energy: -282.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2761.169504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.169504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.169504 (E_RNA) where: Base-Base interactions energy: -1899.347 where: short stacking energy: -828.882 Base-Backbone interact. energy: -2.994 local terms energy: -858.829294 where: bonds (distance) C4'-P energy: -146.246 bonds (distance) P-C4' energy: -168.157 flat angles C4'-P-C4' energy: -187.814 flat angles P-C4'-P energy: -116.336 tors. eta vs tors. theta energy: -240.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2655.522191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.522191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.522191 (E_RNA) where: Base-Base interactions energy: -1848.316 where: short stacking energy: -813.139 Base-Backbone interact. energy: 2.607 local terms energy: -809.813711 where: bonds (distance) C4'-P energy: -136.821 bonds (distance) P-C4' energy: -143.799 flat angles C4'-P-C4' energy: -172.675 flat angles P-C4'-P energy: -127.059 tors. eta vs tors. theta energy: -229.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2468.086462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.086462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.086462 (E_RNA) where: Base-Base interactions energy: -1665.037 where: short stacking energy: -726.266 Base-Backbone interact. energy: 2.178 local terms energy: -805.227241 where: bonds (distance) C4'-P energy: -153.681 bonds (distance) P-C4' energy: -144.921 flat angles C4'-P-C4' energy: -179.900 flat angles P-C4'-P energy: -101.373 tors. eta vs tors. theta energy: -225.352 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: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -2320.808458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.808458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.808458 (E_RNA) where: Base-Base interactions energy: -1627.457 where: short stacking energy: -713.725 Base-Backbone interact. energy: -1.789 local terms energy: -691.562303 where: bonds (distance) C4'-P energy: -116.578 bonds (distance) P-C4' energy: -143.674 flat angles C4'-P-C4' energy: -151.519 flat angles P-C4'-P energy: -100.294 tors. eta vs tors. theta energy: -179.498 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: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -2216.923870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.923870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.923870 (E_RNA) where: Base-Base interactions energy: -1498.415 where: short stacking energy: -654.908 Base-Backbone interact. energy: -0.689 local terms energy: -717.820387 where: bonds (distance) C4'-P energy: -123.801 bonds (distance) P-C4' energy: -162.297 flat angles C4'-P-C4' energy: -148.551 flat angles P-C4'-P energy: -104.514 tors. eta vs tors. theta energy: -178.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1831.931064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.931064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.931064 (E_RNA) where: Base-Base interactions energy: -1217.008 where: short stacking energy: -523.935 Base-Backbone interact. energy: -3.320 local terms energy: -611.603331 where: bonds (distance) C4'-P energy: -133.296 bonds (distance) P-C4' energy: -147.845 flat angles C4'-P-C4' energy: -146.381 flat angles P-C4'-P energy: -75.325 tors. eta vs tors. theta energy: -108.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1164.254805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.254805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.254805 (E_RNA) where: Base-Base interactions energy: -709.460 where: short stacking energy: -349.594 Base-Backbone interact. energy: -0.161 local terms energy: -454.634643 where: bonds (distance) C4'-P energy: -104.855 bonds (distance) P-C4' energy: -152.805 flat angles C4'-P-C4' energy: -111.225 flat angles P-C4'-P energy: -65.863 tors. eta vs tors. theta energy: -19.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -3129.593501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.593501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.593501 (E_RNA) where: Base-Base interactions energy: -2173.509 where: short stacking energy: -951.072 Base-Backbone interact. energy: -3.866 local terms energy: -952.218032 where: bonds (distance) C4'-P energy: -174.900 bonds (distance) P-C4' energy: -163.457 flat angles C4'-P-C4' energy: -196.234 flat angles P-C4'-P energy: -133.008 tors. eta vs tors. theta energy: -284.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2952.785935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.785935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.785935 (E_RNA) where: Base-Base interactions energy: -2049.353 where: short stacking energy: -918.219 Base-Backbone interact. energy: -4.511 local terms energy: -898.921539 where: bonds (distance) C4'-P energy: -141.263 bonds (distance) P-C4' energy: -158.238 flat angles C4'-P-C4' energy: -198.232 flat angles P-C4'-P energy: -129.021 tors. eta vs tors. theta energy: -272.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2846.523506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.523506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.523506 (E_RNA) where: Base-Base interactions energy: -1942.759 where: short stacking energy: -881.883 Base-Backbone interact. energy: -2.338 local terms energy: -901.426731 where: bonds (distance) C4'-P energy: -152.923 bonds (distance) P-C4' energy: -184.650 flat angles C4'-P-C4' energy: -181.269 flat angles P-C4'-P energy: -121.281 tors. eta vs tors. theta energy: -261.304 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: 76 Temperature: 1.050000 Total energy: -2744.660911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.660911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.660911 (E_RNA) where: Base-Base interactions energy: -1910.327 where: short stacking energy: -817.657 Base-Backbone interact. energy: -3.493 local terms energy: -830.840999 where: bonds (distance) C4'-P energy: -142.664 bonds (distance) P-C4' energy: -148.966 flat angles C4'-P-C4' energy: -168.889 flat angles P-C4'-P energy: -122.875 tors. eta vs tors. theta energy: -247.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2593.795883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.795883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.795883 (E_RNA) where: Base-Base interactions energy: -1792.539 where: short stacking energy: -794.928 Base-Backbone interact. energy: -3.588 local terms energy: -797.668416 where: bonds (distance) C4'-P energy: -147.052 bonds (distance) P-C4' energy: -140.034 flat angles C4'-P-C4' energy: -170.856 flat angles P-C4'-P energy: -101.225 tors. eta vs tors. theta energy: -238.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2486.894979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.894979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.894979 (E_RNA) where: Base-Base interactions energy: -1734.799 where: short stacking energy: -755.934 Base-Backbone interact. energy: -2.015 local terms energy: -750.080440 where: bonds (distance) C4'-P energy: -136.709 bonds (distance) P-C4' energy: -135.755 flat angles C4'-P-C4' energy: -170.999 flat angles P-C4'-P energy: -102.882 tors. eta vs tors. theta energy: -203.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -2336.098472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.098472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.098472 (E_RNA) where: Base-Base interactions energy: -1608.656 where: short stacking energy: -699.036 Base-Backbone interact. energy: -3.271 local terms energy: -724.170660 where: bonds (distance) C4'-P energy: -134.170 bonds (distance) P-C4' energy: -152.290 flat angles C4'-P-C4' energy: -147.615 flat angles P-C4'-P energy: -96.807 tors. eta vs tors. theta energy: -193.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -2197.417610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.417610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.417610 (E_RNA) where: Base-Base interactions energy: -1515.956 where: short stacking energy: -666.687 Base-Backbone interact. energy: 10.866 local terms energy: -692.327728 where: bonds (distance) C4'-P energy: -120.300 bonds (distance) P-C4' energy: -145.699 flat angles C4'-P-C4' energy: -144.657 flat angles P-C4'-P energy: -94.753 tors. eta vs tors. theta energy: -186.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1736.165793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.165793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.165793 (E_RNA) where: Base-Base interactions energy: -1146.987 where: short stacking energy: -538.762 Base-Backbone interact. energy: 0.859 local terms energy: -590.037515 where: bonds (distance) C4'-P energy: -124.818 bonds (distance) P-C4' energy: -130.206 flat angles C4'-P-C4' energy: -122.855 flat angles P-C4'-P energy: -105.482 tors. eta vs tors. theta energy: -106.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1115.044000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.044000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.044000 (E_RNA) where: Base-Base interactions energy: -625.281 where: short stacking energy: -310.586 Base-Backbone interact. energy: 5.099 local terms energy: -494.861779 where: bonds (distance) C4'-P energy: -152.203 bonds (distance) P-C4' energy: -122.521 flat angles C4'-P-C4' energy: -115.880 flat angles P-C4'-P energy: -72.224 tors. eta vs tors. theta energy: -32.033 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: 1, replica: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -3092.242962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.242962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.242962 (E_RNA) where: Base-Base interactions energy: -2165.735 where: short stacking energy: -946.686 Base-Backbone interact. energy: -4.599 local terms energy: -921.908970 where: bonds (distance) C4'-P energy: -165.237 bonds (distance) P-C4' energy: -155.324 flat angles C4'-P-C4' energy: -194.275 flat angles P-C4'-P energy: -130.057 tors. eta vs tors. theta energy: -277.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2943.891644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.891644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.891644 (E_RNA) where: Base-Base interactions energy: -2025.945 where: short stacking energy: -904.903 Base-Backbone interact. energy: -7.004 local terms energy: -910.943246 where: bonds (distance) C4'-P energy: -168.391 bonds (distance) P-C4' energy: -155.772 flat angles C4'-P-C4' energy: -181.434 flat angles P-C4'-P energy: -143.404 tors. eta vs tors. theta energy: -261.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2827.714232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.714232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.714232 (E_RNA) where: Base-Base interactions energy: -1933.375 where: short stacking energy: -860.178 Base-Backbone interact. energy: -3.926 local terms energy: -890.413526 where: bonds (distance) C4'-P energy: -161.989 bonds (distance) P-C4' energy: -160.799 flat angles C4'-P-C4' energy: -194.737 flat angles P-C4'-P energy: -122.768 tors. eta vs tors. theta energy: -250.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2793.997300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.997300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.997300 (E_RNA) where: Base-Base interactions energy: -1939.648 where: short stacking energy: -871.688 Base-Backbone interact. energy: -1.193 local terms energy: -853.156325 where: bonds (distance) C4'-P energy: -148.946 bonds (distance) P-C4' energy: -155.980 flat angles C4'-P-C4' energy: -178.192 flat angles P-C4'-P energy: -114.232 tors. eta vs tors. theta energy: -255.806 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: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2702.999723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.999723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.999723 (E_RNA) where: Base-Base interactions energy: -1857.690 where: short stacking energy: -815.493 Base-Backbone interact. energy: -3.182 local terms energy: -842.127687 where: bonds (distance) C4'-P energy: -157.679 bonds (distance) P-C4' energy: -161.140 flat angles C4'-P-C4' energy: -170.161 flat angles P-C4'-P energy: -103.653 tors. eta vs tors. theta energy: -249.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2476.146271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.146271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.146271 (E_RNA) where: Base-Base interactions energy: -1725.161 where: short stacking energy: -754.698 Base-Backbone interact. energy: -1.680 local terms energy: -749.305129 where: bonds (distance) C4'-P energy: -129.297 bonds (distance) P-C4' energy: -144.478 flat angles C4'-P-C4' energy: -161.963 flat angles P-C4'-P energy: -111.876 tors. eta vs tors. theta energy: -201.691 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: 7, replica: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -2400.269927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.269927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.269927 (E_RNA) where: Base-Base interactions energy: -1681.426 where: short stacking energy: -727.270 Base-Backbone interact. energy: 2.280 local terms energy: -721.123990 where: bonds (distance) C4'-P energy: -127.769 bonds (distance) P-C4' energy: -133.221 flat angles C4'-P-C4' energy: -152.760 flat angles P-C4'-P energy: -95.351 tors. eta vs tors. theta energy: -212.022 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: 6 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -2118.996504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.996504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.996504 (E_RNA) where: Base-Base interactions energy: -1491.695 where: short stacking energy: -655.448 Base-Backbone interact. energy: -2.622 local terms energy: -624.679354 where: bonds (distance) C4'-P energy: -103.609 bonds (distance) P-C4' energy: -127.720 flat angles C4'-P-C4' energy: -146.853 flat angles P-C4'-P energy: -74.508 tors. eta vs tors. theta energy: -171.990 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: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1686.619538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.619538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.619538 (E_RNA) where: Base-Base interactions energy: -1101.048 where: short stacking energy: -478.903 Base-Backbone interact. energy: -0.027 local terms energy: -585.543917 where: bonds (distance) C4'-P energy: -119.785 bonds (distance) P-C4' energy: -142.125 flat angles C4'-P-C4' energy: -141.086 flat angles P-C4'-P energy: -81.901 tors. eta vs tors. theta energy: -100.648 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: 10 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1223.711583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.711583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.711583 (E_RNA) where: Base-Base interactions energy: -699.176 where: short stacking energy: -366.864 Base-Backbone interact. energy: -1.790 local terms energy: -522.745738 where: bonds (distance) C4'-P energy: -142.994 bonds (distance) P-C4' energy: -123.975 flat angles C4'-P-C4' energy: -132.143 flat angles P-C4'-P energy: -69.107 tors. eta vs tors. theta energy: -54.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -3067.589496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.589496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.589496 (E_RNA) where: Base-Base interactions energy: -2135.531 where: short stacking energy: -935.541 Base-Backbone interact. energy: -0.593 local terms energy: -931.465319 where: bonds (distance) C4'-P energy: -163.101 bonds (distance) P-C4' energy: -155.351 flat angles C4'-P-C4' energy: -193.605 flat angles P-C4'-P energy: -137.432 tors. eta vs tors. theta energy: -281.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2950.384622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.384622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.384622 (E_RNA) where: Base-Base interactions energy: -2018.146 where: short stacking energy: -925.402 Base-Backbone interact. energy: 0.858 local terms energy: -933.096874 where: bonds (distance) C4'-P energy: -165.318 bonds (distance) P-C4' energy: -163.984 flat angles C4'-P-C4' energy: -187.184 flat angles P-C4'-P energy: -137.611 tors. eta vs tors. theta energy: -279.000 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: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2865.678539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.678539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.678539 (E_RNA) where: Base-Base interactions energy: -1980.210 where: short stacking energy: -907.934 Base-Backbone interact. energy: -3.086 local terms energy: -882.382796 where: bonds (distance) C4'-P energy: -158.130 bonds (distance) P-C4' energy: -142.116 flat angles C4'-P-C4' energy: -199.022 flat angles P-C4'-P energy: -122.063 tors. eta vs tors. theta energy: -261.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2691.184290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.184290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.184290 (E_RNA) where: Base-Base interactions energy: -1840.441 where: short stacking energy: -823.879 Base-Backbone interact. energy: -2.543 local terms energy: -848.201096 where: bonds (distance) C4'-P energy: -138.256 bonds (distance) P-C4' energy: -151.293 flat angles C4'-P-C4' energy: -177.165 flat angles P-C4'-P energy: -135.500 tors. eta vs tors. theta energy: -245.987 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: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2684.237855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.237855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.237855 (E_RNA) where: Base-Base interactions energy: -1890.213 where: short stacking energy: -796.225 Base-Backbone interact. energy: -2.729 local terms energy: -791.296045 where: bonds (distance) C4'-P energy: -152.513 bonds (distance) P-C4' energy: -146.804 flat angles C4'-P-C4' energy: -167.931 flat angles P-C4'-P energy: -90.154 tors. eta vs tors. theta energy: -233.895 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: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2518.821585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.821585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.821585 (E_RNA) where: Base-Base interactions energy: -1752.470 where: short stacking energy: -751.696 Base-Backbone interact. energy: 3.789 local terms energy: -770.139629 where: bonds (distance) C4'-P energy: -142.085 bonds (distance) P-C4' energy: -146.917 flat angles C4'-P-C4' energy: -171.762 flat angles P-C4'-P energy: -105.291 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: 7, replica: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -2331.169319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.169319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.169319 (E_RNA) where: Base-Base interactions energy: -1565.716 where: short stacking energy: -739.185 Base-Backbone interact. energy: 0.657 local terms energy: -766.111007 where: bonds (distance) C4'-P energy: -142.907 bonds (distance) P-C4' energy: -149.547 flat angles C4'-P-C4' energy: -167.017 flat angles P-C4'-P energy: -106.718 tors. eta vs tors. theta energy: -199.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -2116.527078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.527078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.527078 (E_RNA) where: Base-Base interactions energy: -1452.534 where: short stacking energy: -638.090 Base-Backbone interact. energy: 1.679 local terms energy: -665.672133 where: bonds (distance) C4'-P energy: -131.570 bonds (distance) P-C4' energy: -128.433 flat angles C4'-P-C4' energy: -144.560 flat angles P-C4'-P energy: -88.571 tors. eta vs tors. theta energy: -172.539 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: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1722.045879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.045879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.045879 (E_RNA) where: Base-Base interactions energy: -1132.862 where: short stacking energy: -509.243 Base-Backbone interact. energy: -1.185 local terms energy: -587.998991 where: bonds (distance) C4'-P energy: -138.294 bonds (distance) P-C4' energy: -135.952 flat angles C4'-P-C4' energy: -140.743 flat angles P-C4'-P energy: -83.347 tors. eta vs tors. theta energy: -89.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1133.770551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.770551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.770551 (E_RNA) where: Base-Base interactions energy: -643.448 where: short stacking energy: -328.201 Base-Backbone interact. energy: 8.062 local terms energy: -498.384237 where: bonds (distance) C4'-P energy: -105.227 bonds (distance) P-C4' energy: -139.101 flat angles C4'-P-C4' energy: -126.779 flat angles P-C4'-P energy: -85.466 tors. eta vs tors. theta energy: -41.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -3084.885908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.885908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.885908 (E_RNA) where: Base-Base interactions energy: -2152.137 where: short stacking energy: -972.733 Base-Backbone interact. energy: 0.347 local terms energy: -933.096125 where: bonds (distance) C4'-P energy: -163.689 bonds (distance) P-C4' energy: -163.029 flat angles C4'-P-C4' energy: -193.990 flat angles P-C4'-P energy: -128.200 tors. eta vs tors. theta energy: -284.187 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: 2, replica: 5 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2959.059943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.059943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.059943 (E_RNA) where: Base-Base interactions energy: -2038.369 where: short stacking energy: -909.287 Base-Backbone interact. energy: -5.982 local terms energy: -914.708422 where: bonds (distance) C4'-P energy: -166.394 bonds (distance) P-C4' energy: -151.113 flat angles C4'-P-C4' energy: -192.643 flat angles P-C4'-P energy: -129.653 tors. eta vs tors. theta energy: -274.905 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: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2841.189470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.189470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.189470 (E_RNA) where: Base-Base interactions energy: -1971.620 where: short stacking energy: -864.843 Base-Backbone interact. energy: -3.406 local terms energy: -866.162832 where: bonds (distance) C4'-P energy: -132.867 bonds (distance) P-C4' energy: -155.315 flat angles C4'-P-C4' energy: -192.679 flat angles P-C4'-P energy: -126.477 tors. eta vs tors. theta energy: -258.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2759.249661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.249661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.249661 (E_RNA) where: Base-Base interactions energy: -1914.317 where: short stacking energy: -856.469 Base-Backbone interact. energy: -2.585 local terms energy: -842.347461 where: bonds (distance) C4'-P energy: -124.385 bonds (distance) P-C4' energy: -153.464 flat angles C4'-P-C4' energy: -182.001 flat angles P-C4'-P energy: -130.627 tors. eta vs tors. theta energy: -251.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2584.134528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.134528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.134528 (E_RNA) where: Base-Base interactions energy: -1793.466 where: short stacking energy: -784.132 Base-Backbone interact. energy: 4.511 local terms energy: -795.179641 where: bonds (distance) C4'-P energy: -140.282 bonds (distance) P-C4' energy: -153.352 flat angles C4'-P-C4' energy: -159.702 flat angles P-C4'-P energy: -111.548 tors. eta vs tors. theta energy: -230.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2550.924361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.924361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.924361 (E_RNA) where: Base-Base interactions energy: -1763.081 where: short stacking energy: -768.703 Base-Backbone interact. energy: -0.540 local terms energy: -787.303471 where: bonds (distance) C4'-P energy: -131.770 bonds (distance) P-C4' energy: -143.869 flat angles C4'-P-C4' energy: -173.964 flat angles P-C4'-P energy: -115.127 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: 7, replica: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -2332.056938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.056938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.056938 (E_RNA) where: Base-Base interactions energy: -1581.289 where: short stacking energy: -713.061 Base-Backbone interact. energy: -1.943 local terms energy: -748.825342 where: bonds (distance) C4'-P energy: -135.011 bonds (distance) P-C4' energy: -147.864 flat angles C4'-P-C4' energy: -165.053 flat angles P-C4'-P energy: -99.509 tors. eta vs tors. theta energy: -201.389 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: 6 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -2068.914601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.914601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.914601 (E_RNA) where: Base-Base interactions energy: -1354.138 where: short stacking energy: -603.881 Base-Backbone interact. energy: -3.710 local terms energy: -711.066419 where: bonds (distance) C4'-P energy: -151.900 bonds (distance) P-C4' energy: -144.831 flat angles C4'-P-C4' energy: -147.770 flat angles P-C4'-P energy: -95.604 tors. eta vs tors. theta energy: -170.961 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: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1706.485422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.485422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.485422 (E_RNA) where: Base-Base interactions energy: -1146.854 where: short stacking energy: -500.794 Base-Backbone interact. energy: -4.809 local terms energy: -554.822972 where: bonds (distance) C4'-P energy: -130.311 bonds (distance) P-C4' energy: -126.877 flat angles C4'-P-C4' energy: -123.103 flat angles P-C4'-P energy: -64.330 tors. eta vs tors. theta energy: -110.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1373.504318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.504318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.504318 (E_RNA) where: Base-Base interactions energy: -829.925 where: short stacking energy: -416.409 Base-Backbone interact. energy: -2.457 local terms energy: -541.123160 where: bonds (distance) C4'-P energy: -110.234 bonds (distance) P-C4' energy: -136.579 flat angles C4'-P-C4' energy: -147.847 flat angles P-C4'-P energy: -80.462 tors. eta vs tors. theta energy: -66.001 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: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -3104.134103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.134103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.134103 (E_RNA) where: Base-Base interactions energy: -2158.007 where: short stacking energy: -958.980 Base-Backbone interact. energy: -2.575 local terms energy: -943.552266 where: bonds (distance) C4'-P energy: -165.493 bonds (distance) P-C4' energy: -163.533 flat angles C4'-P-C4' energy: -196.605 flat angles P-C4'-P energy: -133.485 tors. eta vs tors. theta energy: -284.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2948.451565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.451565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.451565 (E_RNA) where: Base-Base interactions energy: -2046.124 where: short stacking energy: -904.609 Base-Backbone interact. energy: -3.326 local terms energy: -899.001875 where: bonds (distance) C4'-P energy: -135.919 bonds (distance) P-C4' energy: -172.144 flat angles C4'-P-C4' energy: -193.146 flat angles P-C4'-P energy: -131.726 tors. eta vs tors. theta energy: -266.067 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: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2842.513398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.513398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.513398 (E_RNA) where: Base-Base interactions energy: -1952.669 where: short stacking energy: -869.296 Base-Backbone interact. energy: -5.240 local terms energy: -884.604616 where: bonds (distance) C4'-P energy: -152.500 bonds (distance) P-C4' energy: -160.091 flat angles C4'-P-C4' energy: -193.302 flat angles P-C4'-P energy: -124.304 tors. eta vs tors. theta energy: -254.408 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: 2 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2746.481528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.481528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.481528 (E_RNA) where: Base-Base interactions energy: -1920.027 where: short stacking energy: -832.258 Base-Backbone interact. energy: -6.340 local terms energy: -820.115267 where: bonds (distance) C4'-P energy: -154.445 bonds (distance) P-C4' energy: -146.905 flat angles C4'-P-C4' energy: -157.852 flat angles P-C4'-P energy: -120.101 tors. eta vs tors. theta energy: -240.813 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: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2551.777843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.777843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.777843 (E_RNA) where: Base-Base interactions energy: -1750.902 where: short stacking energy: -776.437 Base-Backbone interact. energy: -2.481 local terms energy: -798.394648 where: bonds (distance) C4'-P energy: -137.409 bonds (distance) P-C4' energy: -145.953 flat angles C4'-P-C4' energy: -179.355 flat angles P-C4'-P energy: -107.070 tors. eta vs tors. theta energy: -228.608 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: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -2562.655363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.655363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.655363 (E_RNA) where: Base-Base interactions energy: -1768.040 where: short stacking energy: -750.765 Base-Backbone interact. energy: 5.998 local terms energy: -800.612832 where: bonds (distance) C4'-P energy: -152.293 bonds (distance) P-C4' energy: -138.030 flat angles C4'-P-C4' energy: -176.386 flat angles P-C4'-P energy: -112.449 tors. eta vs tors. theta energy: -221.454 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: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -2332.485237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.485237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.485237 (E_RNA) where: Base-Base interactions energy: -1609.124 where: short stacking energy: -687.379 Base-Backbone interact. energy: -3.153 local terms energy: -720.208647 where: bonds (distance) C4'-P energy: -143.350 bonds (distance) P-C4' energy: -129.746 flat angles C4'-P-C4' energy: -157.019 flat angles P-C4'-P energy: -94.857 tors. eta vs tors. theta energy: -195.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -2116.277146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.277146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.277146 (E_RNA) where: Base-Base interactions energy: -1441.656 where: short stacking energy: -655.822 Base-Backbone interact. energy: -3.792 local terms energy: -670.829992 where: bonds (distance) C4'-P energy: -113.148 bonds (distance) P-C4' energy: -128.605 flat angles C4'-P-C4' energy: -159.640 flat angles P-C4'-P energy: -107.272 tors. eta vs tors. theta energy: -162.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1799.179015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.179015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.179015 (E_RNA) where: Base-Base interactions energy: -1183.676 where: short stacking energy: -521.842 Base-Backbone interact. energy: -3.849 local terms energy: -611.654818 where: bonds (distance) C4'-P energy: -113.002 bonds (distance) P-C4' energy: -142.786 flat angles C4'-P-C4' energy: -130.705 flat angles P-C4'-P energy: -94.708 tors. eta vs tors. theta energy: -130.454 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: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1170.701404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.701404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.701404 (E_RNA) where: Base-Base interactions energy: -694.661 where: short stacking energy: -339.485 Base-Backbone interact. energy: 1.783 local terms energy: -477.822658 where: bonds (distance) C4'-P energy: -128.354 bonds (distance) P-C4' energy: -128.318 flat angles C4'-P-C4' energy: -121.989 flat angles P-C4'-P energy: -67.767 tors. eta vs tors. theta energy: -31.395 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: 81 Temperature: 0.900000 Total energy: -3111.929617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.929617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.929617 (E_RNA) where: Base-Base interactions energy: -2169.471 where: short stacking energy: -986.568 Base-Backbone interact. energy: -3.836 local terms energy: -938.622229 where: bonds (distance) C4'-P energy: -163.382 bonds (distance) P-C4' energy: -161.550 flat angles C4'-P-C4' energy: -199.666 flat angles P-C4'-P energy: -135.063 tors. eta vs tors. theta energy: -278.961 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: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2932.574604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.574604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.574604 (E_RNA) where: Base-Base interactions energy: -2019.561 where: short stacking energy: -917.625 Base-Backbone interact. energy: -6.321 local terms energy: -906.692387 where: bonds (distance) C4'-P energy: -167.908 bonds (distance) P-C4' energy: -161.625 flat angles C4'-P-C4' energy: -196.693 flat angles P-C4'-P energy: -111.175 tors. eta vs tors. theta energy: -269.291 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: 81 Temperature: 1.000000 Total energy: -2860.802833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.802833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.802833 (E_RNA) where: Base-Base interactions energy: -1965.564 where: short stacking energy: -887.461 Base-Backbone interact. energy: -5.260 local terms energy: -889.978150 where: bonds (distance) C4'-P energy: -162.297 bonds (distance) P-C4' energy: -137.034 flat angles C4'-P-C4' energy: -192.438 flat angles P-C4'-P energy: -121.360 tors. eta vs tors. theta energy: -276.849 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: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2722.665352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.665352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.665352 (E_RNA) where: Base-Base interactions energy: -1858.285 where: short stacking energy: -819.714 Base-Backbone interact. energy: -3.872 local terms energy: -860.508592 where: bonds (distance) C4'-P energy: -142.328 bonds (distance) P-C4' energy: -159.810 flat angles C4'-P-C4' energy: -188.025 flat angles P-C4'-P energy: -116.759 tors. eta vs tors. theta energy: -253.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2574.029989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.029989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.029989 (E_RNA) where: Base-Base interactions energy: -1775.915 where: short stacking energy: -792.044 Base-Backbone interact. energy: 1.867 local terms energy: -799.982479 where: bonds (distance) C4'-P energy: -146.293 bonds (distance) P-C4' energy: -143.591 flat angles C4'-P-C4' energy: -173.909 flat angles P-C4'-P energy: -115.499 tors. eta vs tors. theta energy: -220.691 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: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2541.217549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.217549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.217549 (E_RNA) where: Base-Base interactions energy: -1741.960 where: short stacking energy: -775.269 Base-Backbone interact. energy: -5.271 local terms energy: -793.985839 where: bonds (distance) C4'-P energy: -152.210 bonds (distance) P-C4' energy: -137.661 flat angles C4'-P-C4' energy: -170.549 flat angles P-C4'-P energy: -115.728 tors. eta vs tors. theta energy: -217.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -2405.931239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.931239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.931239 (E_RNA) where: Base-Base interactions energy: -1659.934 where: short stacking energy: -727.521 Base-Backbone interact. energy: -3.414 local terms energy: -742.583113 where: bonds (distance) C4'-P energy: -138.180 bonds (distance) P-C4' energy: -142.082 flat angles C4'-P-C4' energy: -167.389 flat angles P-C4'-P energy: -94.953 tors. eta vs tors. theta energy: -199.980 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: 8, replica: 6 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -2151.876057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.876057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.876057 (E_RNA) where: Base-Base interactions energy: -1461.884 where: short stacking energy: -650.990 Base-Backbone interact. energy: -3.655 local terms energy: -686.336362 where: bonds (distance) C4'-P energy: -108.345 bonds (distance) P-C4' energy: -125.153 flat angles C4'-P-C4' energy: -165.094 flat angles P-C4'-P energy: -113.532 tors. eta vs tors. theta energy: -174.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1920.528111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.528111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.528111 (E_RNA) where: Base-Base interactions energy: -1271.858 where: short stacking energy: -572.860 Base-Backbone interact. energy: -2.139 local terms energy: -646.530583 where: bonds (distance) C4'-P energy: -123.550 bonds (distance) P-C4' energy: -160.897 flat angles C4'-P-C4' energy: -143.286 flat angles P-C4'-P energy: -71.870 tors. eta vs tors. theta energy: -146.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1191.532973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.532973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.532973 (E_RNA) where: Base-Base interactions energy: -707.647 where: short stacking energy: -367.759 Base-Backbone interact. energy: 5.073 local terms energy: -488.959529 where: bonds (distance) C4'-P energy: -112.006 bonds (distance) P-C4' energy: -130.282 flat angles C4'-P-C4' energy: -130.308 flat angles P-C4'-P energy: -60.022 tors. eta vs tors. theta energy: -56.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -3105.133981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.133981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.133981 (E_RNA) where: Base-Base interactions energy: -2145.025 where: short stacking energy: -943.257 Base-Backbone interact. energy: -4.469 local terms energy: -955.640381 where: bonds (distance) C4'-P energy: -165.372 bonds (distance) P-C4' energy: -175.384 flat angles C4'-P-C4' energy: -198.983 flat angles P-C4'-P energy: -144.375 tors. eta vs tors. theta energy: -271.527 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: 5 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2945.744504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.744504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.744504 (E_RNA) where: Base-Base interactions energy: -2037.930 where: short stacking energy: -914.710 Base-Backbone interact. energy: -4.134 local terms energy: -903.680201 where: bonds (distance) C4'-P energy: -154.123 bonds (distance) P-C4' energy: -157.460 flat angles C4'-P-C4' energy: -192.801 flat angles P-C4'-P energy: -125.864 tors. eta vs tors. theta energy: -273.431 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: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2859.295073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.295073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.295073 (E_RNA) where: Base-Base interactions energy: -1994.670 where: short stacking energy: -873.601 Base-Backbone interact. energy: -4.651 local terms energy: -859.973966 where: bonds (distance) C4'-P energy: -142.904 bonds (distance) P-C4' energy: -146.596 flat angles C4'-P-C4' energy: -178.756 flat angles P-C4'-P energy: -127.520 tors. eta vs tors. theta energy: -264.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2726.368443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.368443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.368443 (E_RNA) where: Base-Base interactions energy: -1881.659 where: short stacking energy: -834.903 Base-Backbone interact. energy: -4.997 local terms energy: -839.711861 where: bonds (distance) C4'-P energy: -168.630 bonds (distance) P-C4' energy: -149.249 flat angles C4'-P-C4' energy: -180.514 flat angles P-C4'-P energy: -118.358 tors. eta vs tors. theta energy: -222.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2662.526761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.526761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.526761 (E_RNA) where: Base-Base interactions energy: -1854.147 where: short stacking energy: -787.052 Base-Backbone interact. energy: -4.188 local terms energy: -804.192156 where: bonds (distance) C4'-P energy: -147.665 bonds (distance) P-C4' energy: -140.935 flat angles C4'-P-C4' energy: -182.635 flat angles P-C4'-P energy: -116.071 tors. eta vs tors. theta energy: -216.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2501.783373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.783373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.783373 (E_RNA) where: Base-Base interactions energy: -1710.486 where: short stacking energy: -739.720 Base-Backbone interact. energy: -1.901 local terms energy: -789.396692 where: bonds (distance) C4'-P energy: -147.058 bonds (distance) P-C4' energy: -143.615 flat angles C4'-P-C4' energy: -169.774 flat angles P-C4'-P energy: -113.702 tors. eta vs tors. theta energy: -215.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -2293.396834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.396834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.396834 (E_RNA) where: Base-Base interactions energy: -1593.670 where: short stacking energy: -685.150 Base-Backbone interact. energy: -3.279 local terms energy: -696.448037 where: bonds (distance) C4'-P energy: -109.497 bonds (distance) P-C4' energy: -136.353 flat angles C4'-P-C4' energy: -167.500 flat angles P-C4'-P energy: -101.624 tors. eta vs tors. theta energy: -181.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -2033.511563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.511563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.511563 (E_RNA) where: Base-Base interactions energy: -1394.125 where: short stacking energy: -625.202 Base-Backbone interact. energy: 2.427 local terms energy: -641.814325 where: bonds (distance) C4'-P energy: -122.037 bonds (distance) P-C4' energy: -133.508 flat angles C4'-P-C4' energy: -152.078 flat angles P-C4'-P energy: -89.879 tors. eta vs tors. theta energy: -144.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1723.351330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.351330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.351330 (E_RNA) where: Base-Base interactions energy: -1123.907 where: short stacking energy: -505.245 Base-Backbone interact. energy: -5.185 local terms energy: -594.259285 where: bonds (distance) C4'-P energy: -117.327 bonds (distance) P-C4' energy: -130.476 flat angles C4'-P-C4' energy: -141.539 flat angles P-C4'-P energy: -87.847 tors. eta vs tors. theta energy: -117.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1139.198166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.198166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.198166 (E_RNA) where: Base-Base interactions energy: -626.573 where: short stacking energy: -352.771 Base-Backbone interact. energy: -4.011 local terms energy: -508.613408 where: bonds (distance) C4'-P energy: -115.428 bonds (distance) P-C4' energy: -142.518 flat angles C4'-P-C4' energy: -122.628 flat angles P-C4'-P energy: -77.634 tors. eta vs tors. theta energy: -50.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -3127.254758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.254758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.254758 (E_RNA) where: Base-Base interactions energy: -2185.484 where: short stacking energy: -950.986 Base-Backbone interact. energy: -0.858 local terms energy: -940.912717 where: bonds (distance) C4'-P energy: -155.975 bonds (distance) P-C4' energy: -167.436 flat angles C4'-P-C4' energy: -202.288 flat angles P-C4'-P energy: -136.823 tors. eta vs tors. theta energy: -278.390 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: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2926.658789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.658789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.658789 (E_RNA) where: Base-Base interactions energy: -2018.329 where: short stacking energy: -899.448 Base-Backbone interact. energy: -4.480 local terms energy: -903.849713 where: bonds (distance) C4'-P energy: -157.254 bonds (distance) P-C4' energy: -134.967 flat angles C4'-P-C4' energy: -197.546 flat angles P-C4'-P energy: -146.957 tors. eta vs tors. theta energy: -267.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2870.971754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.971754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.971754 (E_RNA) where: Base-Base interactions energy: -1968.513 where: short stacking energy: -886.898 Base-Backbone interact. energy: -2.929 local terms energy: -899.530191 where: bonds (distance) C4'-P energy: -148.212 bonds (distance) P-C4' energy: -163.239 flat angles C4'-P-C4' energy: -195.259 flat angles P-C4'-P energy: -132.401 tors. eta vs tors. theta energy: -260.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2704.963399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.963399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.963399 (E_RNA) where: Base-Base interactions energy: -1876.147 where: short stacking energy: -815.906 Base-Backbone interact. energy: -3.647 local terms energy: -825.169905 where: bonds (distance) C4'-P energy: -154.884 bonds (distance) P-C4' energy: -136.680 flat angles C4'-P-C4' energy: -187.001 flat angles P-C4'-P energy: -111.864 tors. eta vs tors. theta energy: -234.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2619.690462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.690462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.690462 (E_RNA) where: Base-Base interactions energy: -1831.985 where: short stacking energy: -784.396 Base-Backbone interact. energy: 0.816 local terms energy: -788.522319 where: bonds (distance) C4'-P energy: -146.140 bonds (distance) P-C4' energy: -149.158 flat angles C4'-P-C4' energy: -157.269 flat angles P-C4'-P energy: -106.732 tors. eta vs tors. theta energy: -229.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2490.955607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.955607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.955607 (E_RNA) where: Base-Base interactions energy: -1706.439 where: short stacking energy: -750.476 Base-Backbone interact. energy: 3.003 local terms energy: -787.519944 where: bonds (distance) C4'-P energy: -142.625 bonds (distance) P-C4' energy: -150.020 flat angles C4'-P-C4' energy: -159.564 flat angles P-C4'-P energy: -112.970 tors. eta vs tors. theta energy: -222.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -2239.249402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.249402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.249402 (E_RNA) where: Base-Base interactions energy: -1508.842 where: short stacking energy: -681.556 Base-Backbone interact. energy: -2.160 local terms energy: -728.247251 where: bonds (distance) C4'-P energy: -130.334 bonds (distance) P-C4' energy: -151.357 flat angles C4'-P-C4' energy: -176.507 flat angles P-C4'-P energy: -99.433 tors. eta vs tors. theta energy: -170.616 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: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -2043.818181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.818181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.818181 (E_RNA) where: Base-Base interactions energy: -1393.009 where: short stacking energy: -627.157 Base-Backbone interact. energy: 1.662 local terms energy: -652.470931 where: bonds (distance) C4'-P energy: -124.295 bonds (distance) P-C4' energy: -128.432 flat angles C4'-P-C4' energy: -148.049 flat angles P-C4'-P energy: -93.898 tors. eta vs tors. theta energy: -157.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1791.446895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.446895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.446895 (E_RNA) where: Base-Base interactions energy: -1175.253 where: short stacking energy: -530.665 Base-Backbone interact. energy: 0.963 local terms energy: -617.156686 where: bonds (distance) C4'-P energy: -122.263 bonds (distance) P-C4' energy: -156.849 flat angles C4'-P-C4' energy: -132.596 flat angles P-C4'-P energy: -96.780 tors. eta vs tors. theta energy: -108.668 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: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1125.085699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.085699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.085699 (E_RNA) where: Base-Base interactions energy: -628.853 where: short stacking energy: -315.782 Base-Backbone interact. energy: 2.821 local terms energy: -499.054058 where: bonds (distance) C4'-P energy: -124.679 bonds (distance) P-C4' energy: -139.037 flat angles C4'-P-C4' energy: -149.273 flat angles P-C4'-P energy: -68.695 tors. eta vs tors. theta energy: -17.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -3085.174883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.174883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.174883 (E_RNA) where: Base-Base interactions energy: -2144.286 where: short stacking energy: -932.395 Base-Backbone interact. energy: -0.340 local terms energy: -940.548690 where: bonds (distance) C4'-P energy: -163.421 bonds (distance) P-C4' energy: -170.183 flat angles C4'-P-C4' energy: -190.103 flat angles P-C4'-P energy: -140.258 tors. eta vs tors. theta energy: -276.583 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: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2917.410678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.410678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.410678 (E_RNA) where: Base-Base interactions energy: -2008.401 where: short stacking energy: -881.732 Base-Backbone interact. energy: -1.488 local terms energy: -907.521897 where: bonds (distance) C4'-P energy: -158.545 bonds (distance) P-C4' energy: -168.670 flat angles C4'-P-C4' energy: -197.424 flat angles P-C4'-P energy: -121.696 tors. eta vs tors. theta energy: -261.187 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: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2865.003391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.003391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.003391 (E_RNA) where: Base-Base interactions energy: -2004.298 where: short stacking energy: -892.301 Base-Backbone interact. energy: -1.727 local terms energy: -858.977656 where: bonds (distance) C4'-P energy: -147.249 bonds (distance) P-C4' energy: -155.815 flat angles C4'-P-C4' energy: -176.227 flat angles P-C4'-P energy: -121.179 tors. eta vs tors. theta energy: -258.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2724.277895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.277895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.277895 (E_RNA) where: Base-Base interactions energy: -1882.943 where: short stacking energy: -813.256 Base-Backbone interact. energy: -1.689 local terms energy: -839.646095 where: bonds (distance) C4'-P energy: -142.616 bonds (distance) P-C4' energy: -151.965 flat angles C4'-P-C4' energy: -188.781 flat angles P-C4'-P energy: -121.263 tors. eta vs tors. theta energy: -235.021 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: 84 Temperature: 1.100000 Total energy: -2633.110889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.110889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.110889 (E_RNA) where: Base-Base interactions energy: -1798.402 where: short stacking energy: -770.355 Base-Backbone interact. energy: -1.963 local terms energy: -832.745430 where: bonds (distance) C4'-P energy: -156.762 bonds (distance) P-C4' energy: -154.804 flat angles C4'-P-C4' energy: -185.382 flat angles P-C4'-P energy: -110.550 tors. eta vs tors. theta energy: -225.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2502.039257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.039257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.039257 (E_RNA) where: Base-Base interactions energy: -1727.121 where: short stacking energy: -755.147 Base-Backbone interact. energy: 0.988 local terms energy: -775.906469 where: bonds (distance) C4'-P energy: -131.481 bonds (distance) P-C4' energy: -162.523 flat angles C4'-P-C4' energy: -156.795 flat angles P-C4'-P energy: -87.306 tors. eta vs tors. theta energy: -237.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -2242.305003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.305003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.305003 (E_RNA) where: Base-Base interactions energy: -1529.002 where: short stacking energy: -651.710 Base-Backbone interact. energy: 0.778 local terms energy: -714.081078 where: bonds (distance) C4'-P energy: -144.686 bonds (distance) P-C4' energy: -150.226 flat angles C4'-P-C4' energy: -151.523 flat angles P-C4'-P energy: -92.545 tors. eta vs tors. theta energy: -175.102 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: 8, replica: 6 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -2109.161046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.161046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.161046 (E_RNA) where: Base-Base interactions energy: -1419.082 where: short stacking energy: -636.001 Base-Backbone interact. energy: -1.103 local terms energy: -688.975234 where: bonds (distance) C4'-P energy: -136.942 bonds (distance) P-C4' energy: -130.311 flat angles C4'-P-C4' energy: -157.122 flat angles P-C4'-P energy: -104.326 tors. eta vs tors. theta energy: -160.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1709.582597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.582597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.582597 (E_RNA) where: Base-Base interactions energy: -1102.438 where: short stacking energy: -520.347 Base-Backbone interact. energy: -1.475 local terms energy: -605.669730 where: bonds (distance) C4'-P energy: -144.365 bonds (distance) P-C4' energy: -143.896 flat angles C4'-P-C4' energy: -133.423 flat angles P-C4'-P energy: -89.736 tors. eta vs tors. theta energy: -94.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1068.707275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.707275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.707275 (E_RNA) where: Base-Base interactions energy: -617.885 where: short stacking energy: -298.337 Base-Backbone interact. energy: 2.159 local terms energy: -452.982035 where: bonds (distance) C4'-P energy: -127.244 bonds (distance) P-C4' energy: -123.823 flat angles C4'-P-C4' energy: -114.834 flat angles P-C4'-P energy: -68.093 tors. eta vs tors. theta energy: -18.988 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: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -3093.951535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.951535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.951535 (E_RNA) where: Base-Base interactions energy: -2143.467 where: short stacking energy: -909.975 Base-Backbone interact. energy: -5.126 local terms energy: -945.358754 where: bonds (distance) C4'-P energy: -161.040 bonds (distance) P-C4' energy: -170.230 flat angles C4'-P-C4' energy: -199.630 flat angles P-C4'-P energy: -134.344 tors. eta vs tors. theta energy: -280.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2906.991165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.991165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.991165 (E_RNA) where: Base-Base interactions energy: -2009.819 where: short stacking energy: -893.490 Base-Backbone interact. energy: -6.634 local terms energy: -890.537636 where: bonds (distance) C4'-P energy: -150.117 bonds (distance) P-C4' energy: -171.034 flat angles C4'-P-C4' energy: -174.739 flat angles P-C4'-P energy: -128.879 tors. eta vs tors. theta energy: -265.769 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: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2887.004354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.004354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.004354 (E_RNA) where: Base-Base interactions energy: -2023.442 where: short stacking energy: -858.089 Base-Backbone interact. energy: -5.089 local terms energy: -858.473345 where: bonds (distance) C4'-P energy: -143.487 bonds (distance) P-C4' energy: -143.960 flat angles C4'-P-C4' energy: -191.414 flat angles P-C4'-P energy: -125.641 tors. eta vs tors. theta energy: -253.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2728.796651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.796651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.796651 (E_RNA) where: Base-Base interactions energy: -1903.445 where: short stacking energy: -811.219 Base-Backbone interact. energy: -3.263 local terms energy: -822.089462 where: bonds (distance) C4'-P energy: -151.863 bonds (distance) P-C4' energy: -154.555 flat angles C4'-P-C4' energy: -172.693 flat angles P-C4'-P energy: -112.795 tors. eta vs tors. theta energy: -230.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2671.197542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.197542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.197542 (E_RNA) where: Base-Base interactions energy: -1863.027 where: short stacking energy: -831.058 Base-Backbone interact. energy: -3.993 local terms energy: -804.177388 where: bonds (distance) C4'-P energy: -138.620 bonds (distance) P-C4' energy: -151.553 flat angles C4'-P-C4' energy: -171.600 flat angles P-C4'-P energy: -99.639 tors. eta vs tors. theta energy: -242.766 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: 1 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2493.845434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.845434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.845434 (E_RNA) where: Base-Base interactions energy: -1739.238 where: short stacking energy: -760.600 Base-Backbone interact. energy: -0.339 local terms energy: -754.269084 where: bonds (distance) C4'-P energy: -154.230 bonds (distance) P-C4' energy: -125.469 flat angles C4'-P-C4' energy: -155.101 flat angles P-C4'-P energy: -98.000 tors. eta vs tors. theta energy: -221.468 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: 8 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -2312.595303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.595303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.595303 (E_RNA) where: Base-Base interactions energy: -1598.274 where: short stacking energy: -707.717 Base-Backbone interact. energy: -0.956 local terms energy: -713.365887 where: bonds (distance) C4'-P energy: -124.993 bonds (distance) P-C4' energy: -110.589 flat angles C4'-P-C4' energy: -172.445 flat angles P-C4'-P energy: -108.500 tors. eta vs tors. theta energy: -196.840 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: 8, replica: 6 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -2064.477834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.477834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.477834 (E_RNA) where: Base-Base interactions energy: -1401.837 where: short stacking energy: -604.503 Base-Backbone interact. energy: -3.529 local terms energy: -659.112148 where: bonds (distance) C4'-P energy: -132.810 bonds (distance) P-C4' energy: -131.894 flat angles C4'-P-C4' energy: -138.800 flat angles P-C4'-P energy: -88.274 tors. eta vs tors. theta energy: -167.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1750.668875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.668875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.668875 (E_RNA) where: Base-Base interactions energy: -1174.649 where: short stacking energy: -551.676 Base-Backbone interact. energy: 2.904 local terms energy: -578.924479 where: bonds (distance) C4'-P energy: -118.995 bonds (distance) P-C4' energy: -129.585 flat angles C4'-P-C4' energy: -128.455 flat angles P-C4'-P energy: -70.700 tors. eta vs tors. theta energy: -131.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1018.970147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.970147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.970147 (E_RNA) where: Base-Base interactions energy: -548.685 where: short stacking energy: -284.356 Base-Backbone interact. energy: -0.617 local terms energy: -469.668049 where: bonds (distance) C4'-P energy: -121.921 bonds (distance) P-C4' energy: -148.501 flat angles C4'-P-C4' energy: -126.510 flat angles P-C4'-P energy: -66.133 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -3095.481927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.481927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.481927 (E_RNA) where: Base-Base interactions energy: -2178.291 where: short stacking energy: -950.226 Base-Backbone interact. energy: 3.883 local terms energy: -921.074355 where: bonds (distance) C4'-P energy: -160.464 bonds (distance) P-C4' energy: -161.247 flat angles C4'-P-C4' energy: -197.225 flat angles P-C4'-P energy: -122.113 tors. eta vs tors. theta energy: -280.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2903.605063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.605063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.605063 (E_RNA) where: Base-Base interactions energy: -2014.288 where: short stacking energy: -877.949 Base-Backbone interact. energy: -6.258 local terms energy: -883.058887 where: bonds (distance) C4'-P energy: -161.226 bonds (distance) P-C4' energy: -171.749 flat angles C4'-P-C4' energy: -174.839 flat angles P-C4'-P energy: -120.422 tors. eta vs tors. theta energy: -254.823 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: 5 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2867.686936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.686936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.686936 (E_RNA) where: Base-Base interactions energy: -1974.144 where: short stacking energy: -838.251 Base-Backbone interact. energy: -2.684 local terms energy: -890.859352 where: bonds (distance) C4'-P energy: -157.072 bonds (distance) P-C4' energy: -159.616 flat angles C4'-P-C4' energy: -183.791 flat angles P-C4'-P energy: -131.749 tors. eta vs tors. theta energy: -258.631 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: 7 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2749.307547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.307547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.307547 (E_RNA) where: Base-Base interactions energy: -1924.937 where: short stacking energy: -843.122 Base-Backbone interact. energy: -1.971 local terms energy: -822.399709 where: bonds (distance) C4'-P energy: -141.996 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -169.856 flat angles P-C4'-P energy: -129.036 tors. eta vs tors. theta energy: -232.092 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: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2648.184656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.184656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.184656 (E_RNA) where: Base-Base interactions energy: -1850.102 where: short stacking energy: -823.564 Base-Backbone interact. energy: -1.159 local terms energy: -796.923351 where: bonds (distance) C4'-P energy: -131.020 bonds (distance) P-C4' energy: -150.489 flat angles C4'-P-C4' energy: -172.873 flat angles P-C4'-P energy: -107.977 tors. eta vs tors. theta energy: -234.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2492.855711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.855711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.855711 (E_RNA) where: Base-Base interactions energy: -1698.734 where: short stacking energy: -782.184 Base-Backbone interact. energy: 0.653 local terms energy: -794.774167 where: bonds (distance) C4'-P energy: -147.998 bonds (distance) P-C4' energy: -130.791 flat angles C4'-P-C4' energy: -181.284 flat angles P-C4'-P energy: -111.957 tors. eta vs tors. theta energy: -222.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -2254.774699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.774699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.774699 (E_RNA) where: Base-Base interactions energy: -1525.198 where: short stacking energy: -648.640 Base-Backbone interact. energy: 0.596 local terms energy: -730.172741 where: bonds (distance) C4'-P energy: -143.609 bonds (distance) P-C4' energy: -157.323 flat angles C4'-P-C4' energy: -158.794 flat angles P-C4'-P energy: -92.052 tors. eta vs tors. theta energy: -178.395 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: 6 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -2091.506843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.506843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.506843 (E_RNA) where: Base-Base interactions energy: -1382.501 where: short stacking energy: -611.469 Base-Backbone interact. energy: -3.992 local terms energy: -705.014601 where: bonds (distance) C4'-P energy: -153.676 bonds (distance) P-C4' energy: -149.829 flat angles C4'-P-C4' energy: -165.911 flat angles P-C4'-P energy: -85.800 tors. eta vs tors. theta energy: -149.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1833.673958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.673958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.673958 (E_RNA) where: Base-Base interactions energy: -1192.297 where: short stacking energy: -560.806 Base-Backbone interact. energy: 4.760 local terms energy: -646.136862 where: bonds (distance) C4'-P energy: -152.666 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -132.594 flat angles P-C4'-P energy: -97.500 tors. eta vs tors. theta energy: -120.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1038.499331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.499331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.499331 (E_RNA) where: Base-Base interactions energy: -560.933 where: short stacking energy: -301.018 Base-Backbone interact. energy: 8.056 local terms energy: -485.622151 where: bonds (distance) C4'-P energy: -125.711 bonds (distance) P-C4' energy: -147.605 flat angles C4'-P-C4' energy: -130.437 flat angles P-C4'-P energy: -64.157 tors. eta vs tors. theta energy: -17.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -3093.399665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.399665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.399665 (E_RNA) where: Base-Base interactions energy: -2141.964 where: short stacking energy: -928.471 Base-Backbone interact. energy: -2.235 local terms energy: -949.200765 where: bonds (distance) C4'-P energy: -163.027 bonds (distance) P-C4' energy: -168.509 flat angles C4'-P-C4' energy: -207.288 flat angles P-C4'-P energy: -134.641 tors. eta vs tors. theta energy: -275.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -3002.958608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.958608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.958608 (E_RNA) where: Base-Base interactions energy: -2103.918 where: short stacking energy: -957.506 Base-Backbone interact. energy: -5.299 local terms energy: -893.741804 where: bonds (distance) C4'-P energy: -160.314 bonds (distance) P-C4' energy: -147.331 flat angles C4'-P-C4' energy: -197.631 flat angles P-C4'-P energy: -109.675 tors. eta vs tors. theta energy: -278.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2847.901497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.901497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.901497 (E_RNA) where: Base-Base interactions energy: -1966.374 where: short stacking energy: -858.317 Base-Backbone interact. energy: -4.044 local terms energy: -877.483545 where: bonds (distance) C4'-P energy: -157.164 bonds (distance) P-C4' energy: -169.815 flat angles C4'-P-C4' energy: -164.541 flat angles P-C4'-P energy: -123.764 tors. eta vs tors. theta energy: -262.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2703.301139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.301139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.301139 (E_RNA) where: Base-Base interactions energy: -1881.765 where: short stacking energy: -843.902 Base-Backbone interact. energy: 0.079 local terms energy: -821.615430 where: bonds (distance) C4'-P energy: -146.112 bonds (distance) P-C4' energy: -137.287 flat angles C4'-P-C4' energy: -177.563 flat angles P-C4'-P energy: -111.039 tors. eta vs tors. theta energy: -249.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2591.711657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.711657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.711657 (E_RNA) where: Base-Base interactions energy: -1798.161 where: short stacking energy: -809.433 Base-Backbone interact. energy: -0.338 local terms energy: -793.212322 where: bonds (distance) C4'-P energy: -118.991 bonds (distance) P-C4' energy: -146.429 flat angles C4'-P-C4' energy: -183.823 flat angles P-C4'-P energy: -116.031 tors. eta vs tors. theta energy: -227.938 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: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2532.975976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.975976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.975976 (E_RNA) where: Base-Base interactions energy: -1744.890 where: short stacking energy: -757.743 Base-Backbone interact. energy: -4.061 local terms energy: -784.024431 where: bonds (distance) C4'-P energy: -138.472 bonds (distance) P-C4' energy: -143.787 flat angles C4'-P-C4' energy: -167.588 flat angles P-C4'-P energy: -114.156 tors. eta vs tors. theta energy: -220.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -2192.281355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.281355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.281355 (E_RNA) where: Base-Base interactions energy: -1509.629 where: short stacking energy: -641.098 Base-Backbone interact. energy: 0.213 local terms energy: -682.865100 where: bonds (distance) C4'-P energy: -131.991 bonds (distance) P-C4' energy: -142.563 flat angles C4'-P-C4' energy: -151.306 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -155.188 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: 8, replica: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -2087.139312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.139312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.139312 (E_RNA) where: Base-Base interactions energy: -1442.386 where: short stacking energy: -635.989 Base-Backbone interact. energy: -2.373 local terms energy: -642.379583 where: bonds (distance) C4'-P energy: -135.731 bonds (distance) P-C4' energy: -109.276 flat angles C4'-P-C4' energy: -152.331 flat angles P-C4'-P energy: -76.218 tors. eta vs tors. theta energy: -168.824 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: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1734.141263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.141263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.141263 (E_RNA) where: Base-Base interactions energy: -1163.050 where: short stacking energy: -561.536 Base-Backbone interact. energy: 4.730 local terms energy: -575.820959 where: bonds (distance) C4'-P energy: -132.610 bonds (distance) P-C4' energy: -128.877 flat angles C4'-P-C4' energy: -119.144 flat angles P-C4'-P energy: -74.086 tors. eta vs tors. theta energy: -121.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1014.143978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.143978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.143978 (E_RNA) where: Base-Base interactions energy: -542.841 where: short stacking energy: -303.830 Base-Backbone interact. energy: 0.106 local terms energy: -471.408601 where: bonds (distance) C4'-P energy: -136.402 bonds (distance) P-C4' energy: -130.708 flat angles C4'-P-C4' energy: -120.609 flat angles P-C4'-P energy: -72.923 tors. eta vs tors. theta energy: -10.767 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: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -3118.105854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.105854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.105854 (E_RNA) where: Base-Base interactions energy: -2159.665 where: short stacking energy: -945.976 Base-Backbone interact. energy: -2.459 local terms energy: -955.981822 where: bonds (distance) C4'-P energy: -177.390 bonds (distance) P-C4' energy: -168.624 flat angles C4'-P-C4' energy: -193.701 flat angles P-C4'-P energy: -127.719 tors. eta vs tors. theta energy: -288.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2990.028626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.028626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.028626 (E_RNA) where: Base-Base interactions energy: -2061.660 where: short stacking energy: -911.139 Base-Backbone interact. energy: -2.875 local terms energy: -925.492917 where: bonds (distance) C4'-P energy: -162.457 bonds (distance) P-C4' energy: -158.016 flat angles C4'-P-C4' energy: -192.378 flat angles P-C4'-P energy: -134.532 tors. eta vs tors. theta energy: -278.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2880.515603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.515603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.515603 (E_RNA) where: Base-Base interactions energy: -2010.347 where: short stacking energy: -901.323 Base-Backbone interact. energy: -5.762 local terms energy: -864.407081 where: bonds (distance) C4'-P energy: -134.973 bonds (distance) P-C4' energy: -154.177 flat angles C4'-P-C4' energy: -182.775 flat angles P-C4'-P energy: -125.824 tors. eta vs tors. theta energy: -266.658 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: 7 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2721.218486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.218486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.218486 (E_RNA) where: Base-Base interactions energy: -1879.563 where: short stacking energy: -832.989 Base-Backbone interact. energy: -2.788 local terms energy: -838.867578 where: bonds (distance) C4'-P energy: -151.301 bonds (distance) P-C4' energy: -156.948 flat angles C4'-P-C4' energy: -183.137 flat angles P-C4'-P energy: -123.827 tors. eta vs tors. theta energy: -223.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2605.951715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.951715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.951715 (E_RNA) where: Base-Base interactions energy: -1824.747 where: short stacking energy: -803.105 Base-Backbone interact. energy: -1.876 local terms energy: -779.329626 where: bonds (distance) C4'-P energy: -144.181 bonds (distance) P-C4' energy: -138.233 flat angles C4'-P-C4' energy: -157.309 flat angles P-C4'-P energy: -109.080 tors. eta vs tors. theta energy: -230.526 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: 1 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2452.308831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.308831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.308831 (E_RNA) where: Base-Base interactions energy: -1672.619 where: short stacking energy: -747.378 Base-Backbone interact. energy: 0.663 local terms energy: -780.352956 where: bonds (distance) C4'-P energy: -136.059 bonds (distance) P-C4' energy: -149.728 flat angles C4'-P-C4' energy: -175.182 flat angles P-C4'-P energy: -104.099 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: 88 Temperature: 1.200000 Total energy: -2162.310563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.310563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.310563 (E_RNA) where: Base-Base interactions energy: -1453.223 where: short stacking energy: -629.752 Base-Backbone interact. energy: 2.208 local terms energy: -711.295858 where: bonds (distance) C4'-P energy: -141.609 bonds (distance) P-C4' energy: -143.654 flat angles C4'-P-C4' energy: -154.191 flat angles P-C4'-P energy: -97.419 tors. eta vs tors. theta energy: -174.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -2052.705031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.705031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.705031 (E_RNA) where: Base-Base interactions energy: -1386.976 where: short stacking energy: -602.702 Base-Backbone interact. energy: -1.399 local terms energy: -664.330728 where: bonds (distance) C4'-P energy: -136.911 bonds (distance) P-C4' energy: -142.273 flat angles C4'-P-C4' energy: -145.701 flat angles P-C4'-P energy: -88.236 tors. eta vs tors. theta energy: -151.210 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: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1836.058262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.058262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.058262 (E_RNA) where: Base-Base interactions energy: -1206.779 where: short stacking energy: -561.967 Base-Backbone interact. energy: -2.868 local terms energy: -626.411092 where: bonds (distance) C4'-P energy: -133.722 bonds (distance) P-C4' energy: -129.765 flat angles C4'-P-C4' energy: -151.632 flat angles P-C4'-P energy: -87.432 tors. eta vs tors. theta energy: -123.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1033.706914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.706914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.706914 (E_RNA) where: Base-Base interactions energy: -540.667 where: short stacking energy: -280.643 Base-Backbone interact. energy: 4.459 local terms energy: -497.498884 where: bonds (distance) C4'-P energy: -138.819 bonds (distance) P-C4' energy: -133.571 flat angles C4'-P-C4' energy: -119.391 flat angles P-C4'-P energy: -84.258 tors. eta vs tors. theta energy: -21.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -3109.643673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.643673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.643673 (E_RNA) where: Base-Base interactions energy: -2154.356 where: short stacking energy: -957.170 Base-Backbone interact. energy: -3.754 local terms energy: -951.533378 where: bonds (distance) C4'-P energy: -179.292 bonds (distance) P-C4' energy: -160.736 flat angles C4'-P-C4' energy: -201.245 flat angles P-C4'-P energy: -137.352 tors. eta vs tors. theta energy: -272.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2923.046333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.046333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.046333 (E_RNA) where: Base-Base interactions energy: -2010.853 where: short stacking energy: -887.293 Base-Backbone interact. energy: -3.162 local terms energy: -909.030830 where: bonds (distance) C4'-P energy: -171.165 bonds (distance) P-C4' energy: -164.802 flat angles C4'-P-C4' energy: -188.103 flat angles P-C4'-P energy: -113.173 tors. eta vs tors. theta energy: -271.788 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: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2941.220358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.220358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.220358 (E_RNA) where: Base-Base interactions energy: -2041.788 where: short stacking energy: -908.070 Base-Backbone interact. energy: -1.836 local terms energy: -897.596612 where: bonds (distance) C4'-P energy: -160.352 bonds (distance) P-C4' energy: -159.593 flat angles C4'-P-C4' energy: -190.833 flat angles P-C4'-P energy: -117.594 tors. eta vs tors. theta energy: -269.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2731.370300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.370300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.370300 (E_RNA) where: Base-Base interactions energy: -1900.024 where: short stacking energy: -823.916 Base-Backbone interact. energy: -1.969 local terms energy: -829.376799 where: bonds (distance) C4'-P energy: -149.298 bonds (distance) P-C4' energy: -151.055 flat angles C4'-P-C4' energy: -178.464 flat angles P-C4'-P energy: -109.833 tors. eta vs tors. theta energy: -240.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2642.975450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.975450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.975450 (E_RNA) where: Base-Base interactions energy: -1836.018 where: short stacking energy: -806.568 Base-Backbone interact. energy: -1.618 local terms energy: -805.339524 where: bonds (distance) C4'-P energy: -135.374 bonds (distance) P-C4' energy: -149.947 flat angles C4'-P-C4' energy: -182.619 flat angles P-C4'-P energy: -120.255 tors. eta vs tors. theta energy: -217.145 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: 1 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -2402.648704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.648704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.648704 (E_RNA) where: Base-Base interactions energy: -1627.517 where: short stacking energy: -706.293 Base-Backbone interact. energy: -2.538 local terms energy: -772.593911 where: bonds (distance) C4'-P energy: -140.240 bonds (distance) P-C4' energy: -161.704 flat angles C4'-P-C4' energy: -168.864 flat angles P-C4'-P energy: -90.826 tors. eta vs tors. theta energy: -210.961 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: 8 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -2183.591376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.591376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.591376 (E_RNA) where: Base-Base interactions energy: -1466.843 where: short stacking energy: -650.132 Base-Backbone interact. energy: -1.435 local terms energy: -715.313578 where: bonds (distance) C4'-P energy: -133.603 bonds (distance) P-C4' energy: -148.494 flat angles C4'-P-C4' energy: -149.556 flat angles P-C4'-P energy: -104.335 tors. eta vs tors. theta energy: -179.326 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: 6 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -2076.260592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.260592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.260592 (E_RNA) where: Base-Base interactions energy: -1446.539 where: short stacking energy: -620.756 Base-Backbone interact. energy: -4.257 local terms energy: -625.464261 where: bonds (distance) C4'-P energy: -134.497 bonds (distance) P-C4' energy: -129.667 flat angles C4'-P-C4' energy: -144.385 flat angles P-C4'-P energy: -77.951 tors. eta vs tors. theta energy: -138.965 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: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1776.088292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.088292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.088292 (E_RNA) where: Base-Base interactions energy: -1138.450 where: short stacking energy: -542.179 Base-Backbone interact. energy: 0.853 local terms energy: -638.491746 where: bonds (distance) C4'-P energy: -120.310 bonds (distance) P-C4' energy: -137.516 flat angles C4'-P-C4' energy: -151.457 flat angles P-C4'-P energy: -100.484 tors. eta vs tors. theta energy: -128.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1033.310854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.310854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.310854 (E_RNA) where: Base-Base interactions energy: -580.607 where: short stacking energy: -317.771 Base-Backbone interact. energy: 3.090 local terms energy: -455.793909 where: bonds (distance) C4'-P energy: -130.203 bonds (distance) P-C4' energy: -108.990 flat angles C4'-P-C4' energy: -127.290 flat angles P-C4'-P energy: -72.533 tors. eta vs tors. theta energy: -16.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -3102.166704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.166704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.166704 (E_RNA) where: Base-Base interactions energy: -2177.894 where: short stacking energy: -985.790 Base-Backbone interact. energy: 4.222 local terms energy: -928.495496 where: bonds (distance) C4'-P energy: -168.180 bonds (distance) P-C4' energy: -164.614 flat angles C4'-P-C4' energy: -199.820 flat angles P-C4'-P energy: -116.452 tors. eta vs tors. theta energy: -279.430 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: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2907.896381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.896381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.896381 (E_RNA) where: Base-Base interactions energy: -2003.260 where: short stacking energy: -896.127 Base-Backbone interact. energy: -4.553 local terms energy: -900.083020 where: bonds (distance) C4'-P energy: -155.643 bonds (distance) P-C4' energy: -169.831 flat angles C4'-P-C4' energy: -185.317 flat angles P-C4'-P energy: -119.713 tors. eta vs tors. theta energy: -269.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2954.803347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.803347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.803347 (E_RNA) where: Base-Base interactions energy: -2041.809 where: short stacking energy: -915.837 Base-Backbone interact. energy: -1.095 local terms energy: -911.898968 where: bonds (distance) C4'-P energy: -161.283 bonds (distance) P-C4' energy: -169.613 flat angles C4'-P-C4' energy: -182.331 flat angles P-C4'-P energy: -125.237 tors. eta vs tors. theta energy: -273.435 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: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2727.496883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.496883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.496883 (E_RNA) where: Base-Base interactions energy: -1920.229 where: short stacking energy: -839.813 Base-Backbone interact. energy: -3.593 local terms energy: -803.674786 where: bonds (distance) C4'-P energy: -148.228 bonds (distance) P-C4' energy: -137.999 flat angles C4'-P-C4' energy: -168.492 flat angles P-C4'-P energy: -112.022 tors. eta vs tors. theta energy: -236.934 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: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2597.378961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.378961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.378961 (E_RNA) where: Base-Base interactions energy: -1783.210 where: short stacking energy: -768.843 Base-Backbone interact. energy: -3.077 local terms energy: -811.091656 where: bonds (distance) C4'-P energy: -139.355 bonds (distance) P-C4' energy: -146.771 flat angles C4'-P-C4' energy: -174.888 flat angles P-C4'-P energy: -114.653 tors. eta vs tors. theta energy: -235.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2379.753687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.753687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.753687 (E_RNA) where: Base-Base interactions energy: -1663.121 where: short stacking energy: -737.376 Base-Backbone interact. energy: -2.752 local terms energy: -713.880571 where: bonds (distance) C4'-P energy: -113.640 bonds (distance) P-C4' energy: -137.116 flat angles C4'-P-C4' energy: -158.527 flat angles P-C4'-P energy: -100.146 tors. eta vs tors. theta energy: -204.452 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: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -2281.978301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.978301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.978301 (E_RNA) where: Base-Base interactions energy: -1558.973 where: short stacking energy: -709.826 Base-Backbone interact. energy: -3.158 local terms energy: -719.847336 where: bonds (distance) C4'-P energy: -134.955 bonds (distance) P-C4' energy: -139.926 flat angles C4'-P-C4' energy: -166.650 flat angles P-C4'-P energy: -96.202 tors. eta vs tors. theta energy: -182.114 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: 6 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -2121.667700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.667700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.667700 (E_RNA) where: Base-Base interactions energy: -1428.068 where: short stacking energy: -611.277 Base-Backbone interact. energy: 0.720 local terms energy: -694.318766 where: bonds (distance) C4'-P energy: -131.929 bonds (distance) P-C4' energy: -149.890 flat angles C4'-P-C4' energy: -154.185 flat angles P-C4'-P energy: -104.177 tors. eta vs tors. theta energy: -154.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1862.100651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.100651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.100651 (E_RNA) where: Base-Base interactions energy: -1223.767 where: short stacking energy: -555.825 Base-Backbone interact. energy: 1.178 local terms energy: -639.512211 where: bonds (distance) C4'-P energy: -136.688 bonds (distance) P-C4' energy: -147.236 flat angles C4'-P-C4' energy: -144.818 flat angles P-C4'-P energy: -90.504 tors. eta vs tors. theta energy: -120.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1052.965600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.965600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.965600 (E_RNA) where: Base-Base interactions energy: -639.308 where: short stacking energy: -345.729 Base-Backbone interact. energy: 9.798 local terms energy: -423.455066 where: bonds (distance) C4'-P energy: -108.100 bonds (distance) P-C4' energy: -123.185 flat angles C4'-P-C4' energy: -113.752 flat angles P-C4'-P energy: -60.501 tors. eta vs tors. theta energy: -17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -3093.835235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.835235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.835235 (E_RNA) where: Base-Base interactions energy: -2173.974 where: short stacking energy: -927.569 Base-Backbone interact. energy: 2.781 local terms energy: -922.642232 where: bonds (distance) C4'-P energy: -157.813 bonds (distance) P-C4' energy: -161.948 flat angles C4'-P-C4' energy: -181.025 flat angles P-C4'-P energy: -144.014 tors. eta vs tors. theta energy: -277.842 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: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2895.488418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.488418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.488418 (E_RNA) where: Base-Base interactions energy: -2010.084 where: short stacking energy: -877.423 Base-Backbone interact. energy: -2.730 local terms energy: -882.674645 where: bonds (distance) C4'-P energy: -157.278 bonds (distance) P-C4' energy: -161.733 flat angles C4'-P-C4' energy: -174.141 flat angles P-C4'-P energy: -122.649 tors. eta vs tors. theta energy: -266.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2943.876367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.876367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.876367 (E_RNA) where: Base-Base interactions energy: -2038.430 where: short stacking energy: -891.642 Base-Backbone interact. energy: -2.342 local terms energy: -903.104943 where: bonds (distance) C4'-P energy: -152.093 bonds (distance) P-C4' energy: -148.587 flat angles C4'-P-C4' energy: -197.089 flat angles P-C4'-P energy: -134.058 tors. eta vs tors. theta energy: -271.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2736.430467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.430467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.430467 (E_RNA) where: Base-Base interactions energy: -1882.187 where: short stacking energy: -828.581 Base-Backbone interact. energy: 6.587 local terms energy: -860.830612 where: bonds (distance) C4'-P energy: -155.878 bonds (distance) P-C4' energy: -169.099 flat angles C4'-P-C4' energy: -184.603 flat angles P-C4'-P energy: -120.892 tors. eta vs tors. theta energy: -230.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2589.895907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.895907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.895907 (E_RNA) where: Base-Base interactions energy: -1776.482 where: short stacking energy: -802.906 Base-Backbone interact. energy: -1.714 local terms energy: -811.700228 where: bonds (distance) C4'-P energy: -147.103 bonds (distance) P-C4' energy: -159.707 flat angles C4'-P-C4' energy: -172.698 flat angles P-C4'-P energy: -101.746 tors. eta vs tors. theta energy: -230.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2534.861576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.861576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.861576 (E_RNA) where: Base-Base interactions energy: -1731.280 where: short stacking energy: -744.328 Base-Backbone interact. energy: -0.717 local terms energy: -802.864739 where: bonds (distance) C4'-P energy: -125.510 bonds (distance) P-C4' energy: -157.692 flat angles C4'-P-C4' energy: -169.450 flat angles P-C4'-P energy: -110.158 tors. eta vs tors. theta energy: -240.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -2292.216935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.216935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.216935 (E_RNA) where: Base-Base interactions energy: -1568.040 where: short stacking energy: -710.890 Base-Backbone interact. energy: -3.774 local terms energy: -720.403736 where: bonds (distance) C4'-P energy: -127.198 bonds (distance) P-C4' energy: -140.573 flat angles C4'-P-C4' energy: -157.398 flat angles P-C4'-P energy: -102.124 tors. eta vs tors. theta energy: -193.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -2211.873228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.873228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.873228 (E_RNA) where: Base-Base interactions energy: -1487.644 where: short stacking energy: -621.536 Base-Backbone interact. energy: -3.047 local terms energy: -721.182507 where: bonds (distance) C4'-P energy: -132.710 bonds (distance) P-C4' energy: -145.645 flat angles C4'-P-C4' energy: -165.526 flat angles P-C4'-P energy: -116.467 tors. eta vs tors. theta energy: -160.834 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: 91 Temperature: 1.300000 Total energy: -1777.304054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.304054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.304054 (E_RNA) where: Base-Base interactions energy: -1177.071 where: short stacking energy: -533.096 Base-Backbone interact. energy: -2.364 local terms energy: -597.868084 where: bonds (distance) C4'-P energy: -107.633 bonds (distance) P-C4' energy: -128.202 flat angles C4'-P-C4' energy: -169.742 flat angles P-C4'-P energy: -83.577 tors. eta vs tors. theta energy: -108.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1083.048880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.048880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.048880 (E_RNA) where: Base-Base interactions energy: -607.217 where: short stacking energy: -336.055 Base-Backbone interact. energy: 5.726 local terms energy: -481.558605 where: bonds (distance) C4'-P energy: -116.317 bonds (distance) P-C4' energy: -134.322 flat angles C4'-P-C4' energy: -135.459 flat angles P-C4'-P energy: -70.336 tors. eta vs tors. theta energy: -25.124 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: 3 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -3095.064076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.064076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.064076 (E_RNA) where: Base-Base interactions energy: -2161.831 where: short stacking energy: -940.240 Base-Backbone interact. energy: 5.993 local terms energy: -939.225608 where: bonds (distance) C4'-P energy: -175.913 bonds (distance) P-C4' energy: -154.921 flat angles C4'-P-C4' energy: -198.655 flat angles P-C4'-P energy: -134.683 tors. eta vs tors. theta energy: -275.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2895.864351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.864351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.864351 (E_RNA) where: Base-Base interactions energy: -2004.843 where: short stacking energy: -869.141 Base-Backbone interact. energy: -3.440 local terms energy: -887.581964 where: bonds (distance) C4'-P energy: -153.250 bonds (distance) P-C4' energy: -164.497 flat angles C4'-P-C4' energy: -178.204 flat angles P-C4'-P energy: -135.110 tors. eta vs tors. theta energy: -256.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2934.539261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.539261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.539261 (E_RNA) where: Base-Base interactions energy: -2017.425 where: short stacking energy: -919.739 Base-Backbone interact. energy: -4.110 local terms energy: -913.004210 where: bonds (distance) C4'-P energy: -156.383 bonds (distance) P-C4' energy: -170.162 flat angles C4'-P-C4' energy: -184.328 flat angles P-C4'-P energy: -130.175 tors. eta vs tors. theta energy: -271.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2753.211269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.211269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.211269 (E_RNA) where: Base-Base interactions energy: -1909.324 where: short stacking energy: -866.485 Base-Backbone interact. energy: -3.872 local terms energy: -840.014964 where: bonds (distance) C4'-P energy: -137.394 bonds (distance) P-C4' energy: -151.910 flat angles C4'-P-C4' energy: -192.568 flat angles P-C4'-P energy: -122.538 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: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2570.547743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.547743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.547743 (E_RNA) where: Base-Base interactions energy: -1756.330 where: short stacking energy: -787.349 Base-Backbone interact. energy: -4.946 local terms energy: -809.271538 where: bonds (distance) C4'-P energy: -137.528 bonds (distance) P-C4' energy: -149.169 flat angles C4'-P-C4' energy: -186.141 flat angles P-C4'-P energy: -114.916 tors. eta vs tors. theta energy: -221.518 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: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2498.311195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.311195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.311195 (E_RNA) where: Base-Base interactions energy: -1717.374 where: short stacking energy: -772.305 Base-Backbone interact. energy: -2.962 local terms energy: -777.975117 where: bonds (distance) C4'-P energy: -134.828 bonds (distance) P-C4' energy: -140.710 flat angles C4'-P-C4' energy: -170.446 flat angles P-C4'-P energy: -102.499 tors. eta vs tors. theta energy: -229.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -2211.458888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.458888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.458888 (E_RNA) where: Base-Base interactions energy: -1513.896 where: short stacking energy: -703.184 Base-Backbone interact. energy: -1.380 local terms energy: -696.182943 where: bonds (distance) C4'-P energy: -121.308 bonds (distance) P-C4' energy: -125.510 flat angles C4'-P-C4' energy: -182.878 flat angles P-C4'-P energy: -92.506 tors. eta vs tors. theta energy: -173.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -2178.389766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.389766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.389766 (E_RNA) where: Base-Base interactions energy: -1484.855 where: short stacking energy: -650.598 Base-Backbone interact. energy: -2.831 local terms energy: -690.703449 where: bonds (distance) C4'-P energy: -140.308 bonds (distance) P-C4' energy: -130.834 flat angles C4'-P-C4' energy: -147.358 flat angles P-C4'-P energy: -92.190 tors. eta vs tors. theta energy: -180.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1794.572014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.572014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.572014 (E_RNA) where: Base-Base interactions energy: -1206.093 where: short stacking energy: -537.648 Base-Backbone interact. energy: 2.305 local terms energy: -590.783405 where: bonds (distance) C4'-P energy: -128.319 bonds (distance) P-C4' energy: -136.315 flat angles C4'-P-C4' energy: -151.705 flat angles P-C4'-P energy: -65.841 tors. eta vs tors. theta energy: -108.602 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: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1026.903282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.903282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.903282 (E_RNA) where: Base-Base interactions energy: -559.254 where: short stacking energy: -297.079 Base-Backbone interact. energy: 13.733 local terms energy: -481.382458 where: bonds (distance) C4'-P energy: -140.595 bonds (distance) P-C4' energy: -134.559 flat angles C4'-P-C4' energy: -149.885 flat angles P-C4'-P energy: -61.088 tors. eta vs tors. theta energy: 4.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -3101.239061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.239061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.239061 (E_RNA) where: Base-Base interactions energy: -2170.639 where: short stacking energy: -973.539 Base-Backbone interact. energy: 2.441 local terms energy: -933.041399 where: bonds (distance) C4'-P energy: -155.502 bonds (distance) P-C4' energy: -154.441 flat angles C4'-P-C4' energy: -204.083 flat angles P-C4'-P energy: -128.627 tors. eta vs tors. theta energy: -290.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2956.215713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.215713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.215713 (E_RNA) where: Base-Base interactions energy: -2021.618 where: short stacking energy: -898.322 Base-Backbone interact. energy: -1.847 local terms energy: -932.750267 where: bonds (distance) C4'-P energy: -157.820 bonds (distance) P-C4' energy: -172.316 flat angles C4'-P-C4' energy: -196.718 flat angles P-C4'-P energy: -133.540 tors. eta vs tors. theta energy: -272.356 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: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2855.912142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.912142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.912142 (E_RNA) where: Base-Base interactions energy: -1974.431 where: short stacking energy: -869.037 Base-Backbone interact. energy: -0.852 local terms energy: -880.628708 where: bonds (distance) C4'-P energy: -159.300 bonds (distance) P-C4' energy: -140.817 flat angles C4'-P-C4' energy: -197.650 flat angles P-C4'-P energy: -124.858 tors. eta vs tors. theta energy: -258.004 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: 93 Temperature: 1.050000 Total energy: -2734.473460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.473460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.473460 (E_RNA) where: Base-Base interactions energy: -1925.449 where: short stacking energy: -870.383 Base-Backbone interact. energy: 2.224 local terms energy: -811.248898 where: bonds (distance) C4'-P energy: -149.286 bonds (distance) P-C4' energy: -138.835 flat angles C4'-P-C4' energy: -179.899 flat angles P-C4'-P energy: -110.270 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: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2603.315394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.315394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.315394 (E_RNA) where: Base-Base interactions energy: -1808.354 where: short stacking energy: -809.193 Base-Backbone interact. energy: -1.240 local terms energy: -793.721433 where: bonds (distance) C4'-P energy: -119.391 bonds (distance) P-C4' energy: -150.643 flat angles C4'-P-C4' energy: -175.411 flat angles P-C4'-P energy: -114.805 tors. eta vs tors. theta energy: -233.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2533.025058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.025058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.025058 (E_RNA) where: Base-Base interactions energy: -1737.836 where: short stacking energy: -753.558 Base-Backbone interact. energy: -3.786 local terms energy: -791.403049 where: bonds (distance) C4'-P energy: -149.359 bonds (distance) P-C4' energy: -150.167 flat angles C4'-P-C4' energy: -159.415 flat angles P-C4'-P energy: -102.963 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: 7, replica: 8 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2183.822427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.822427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.822427 (E_RNA) where: Base-Base interactions energy: -1485.943 where: short stacking energy: -639.951 Base-Backbone interact. energy: 1.077 local terms energy: -698.956316 where: bonds (distance) C4'-P energy: -135.574 bonds (distance) P-C4' energy: -134.087 flat angles C4'-P-C4' energy: -162.956 flat angles P-C4'-P energy: -94.335 tors. eta vs tors. theta energy: -172.004 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: 6 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -2091.621916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.621916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.621916 (E_RNA) where: Base-Base interactions energy: -1413.285 where: short stacking energy: -651.215 Base-Backbone interact. energy: -4.551 local terms energy: -673.786427 where: bonds (distance) C4'-P energy: -121.260 bonds (distance) P-C4' energy: -136.752 flat angles C4'-P-C4' energy: -158.757 flat angles P-C4'-P energy: -81.457 tors. eta vs tors. theta energy: -175.560 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: 9, replica: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1605.728290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.728290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.728290 (E_RNA) where: Base-Base interactions energy: -1031.533 where: short stacking energy: -480.907 Base-Backbone interact. energy: -7.532 local terms energy: -566.662893 where: bonds (distance) C4'-P energy: -145.940 bonds (distance) P-C4' energy: -146.072 flat angles C4'-P-C4' energy: -119.613 flat angles P-C4'-P energy: -67.644 tors. eta vs tors. theta energy: -87.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1030.413837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.413837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.413837 (E_RNA) where: Base-Base interactions energy: -596.033 where: short stacking energy: -300.765 Base-Backbone interact. energy: 7.172 local terms energy: -441.552457 where: bonds (distance) C4'-P energy: -123.319 bonds (distance) P-C4' energy: -149.973 flat angles C4'-P-C4' energy: -110.518 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: 5.395 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: 94 Temperature: 0.900000 Total energy: -3094.585508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.585508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.585508 (E_RNA) where: Base-Base interactions energy: -2140.409 where: short stacking energy: -954.870 Base-Backbone interact. energy: -0.458 local terms energy: -953.718148 where: bonds (distance) C4'-P energy: -175.974 bonds (distance) P-C4' energy: -159.240 flat angles C4'-P-C4' energy: -197.994 flat angles P-C4'-P energy: -139.295 tors. eta vs tors. theta energy: -281.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2986.828274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.828274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.828274 (E_RNA) where: Base-Base interactions energy: -2078.374 where: short stacking energy: -915.350 Base-Backbone interact. energy: 0.631 local terms energy: -909.085770 where: bonds (distance) C4'-P energy: -162.527 bonds (distance) P-C4' energy: -161.507 flat angles C4'-P-C4' energy: -188.336 flat angles P-C4'-P energy: -129.040 tors. eta vs tors. theta energy: -267.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2806.713423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.713423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.713423 (E_RNA) where: Base-Base interactions energy: -1933.722 where: short stacking energy: -831.782 Base-Backbone interact. energy: -4.830 local terms energy: -868.162150 where: bonds (distance) C4'-P energy: -153.534 bonds (distance) P-C4' energy: -146.414 flat angles C4'-P-C4' energy: -189.887 flat angles P-C4'-P energy: -124.577 tors. eta vs tors. theta energy: -253.750 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: 94 Temperature: 1.050000 Total energy: -2753.713256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.713256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.713256 (E_RNA) where: Base-Base interactions energy: -1922.851 where: short stacking energy: -855.424 Base-Backbone interact. energy: -4.128 local terms energy: -826.734946 where: bonds (distance) C4'-P energy: -148.318 bonds (distance) P-C4' energy: -141.206 flat angles C4'-P-C4' energy: -175.428 flat angles P-C4'-P energy: -111.725 tors. eta vs tors. theta energy: -250.058 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: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2616.104909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.104909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.104909 (E_RNA) where: Base-Base interactions energy: -1820.698 where: short stacking energy: -796.135 Base-Backbone interact. energy: -2.239 local terms energy: -793.167147 where: bonds (distance) C4'-P energy: -142.989 bonds (distance) P-C4' energy: -153.494 flat angles C4'-P-C4' energy: -162.676 flat angles P-C4'-P energy: -103.185 tors. eta vs tors. theta energy: -230.824 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: 1 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2458.168962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.168962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.168962 (E_RNA) where: Base-Base interactions energy: -1702.630 where: short stacking energy: -726.568 Base-Backbone interact. energy: -1.379 local terms energy: -754.159993 where: bonds (distance) C4'-P energy: -139.962 bonds (distance) P-C4' energy: -146.507 flat angles C4'-P-C4' energy: -157.927 flat angles P-C4'-P energy: -110.763 tors. eta vs tors. theta energy: -199.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -2184.137729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.137729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.137729 (E_RNA) where: Base-Base interactions energy: -1479.298 where: short stacking energy: -651.265 Base-Backbone interact. energy: 0.017 local terms energy: -704.857044 where: bonds (distance) C4'-P energy: -144.169 bonds (distance) P-C4' energy: -158.240 flat angles C4'-P-C4' energy: -159.490 flat angles P-C4'-P energy: -69.771 tors. eta vs tors. theta energy: -173.187 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: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -2088.516033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.516033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.516033 (E_RNA) where: Base-Base interactions energy: -1408.560 where: short stacking energy: -644.752 Base-Backbone interact. energy: -0.564 local terms energy: -679.392018 where: bonds (distance) C4'-P energy: -132.210 bonds (distance) P-C4' energy: -126.996 flat angles C4'-P-C4' energy: -149.194 flat angles P-C4'-P energy: -104.136 tors. eta vs tors. theta energy: -166.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1599.709408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.709408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.709408 (E_RNA) where: Base-Base interactions energy: -1012.077 where: short stacking energy: -479.323 Base-Backbone interact. energy: -2.963 local terms energy: -584.669144 where: bonds (distance) C4'-P energy: -120.151 bonds (distance) P-C4' energy: -135.218 flat angles C4'-P-C4' energy: -145.487 flat angles P-C4'-P energy: -90.414 tors. eta vs tors. theta energy: -93.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1015.809160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.809160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.809160 (E_RNA) where: Base-Base interactions energy: -568.919 where: short stacking energy: -292.845 Base-Backbone interact. energy: 5.979 local terms energy: -452.869339 where: bonds (distance) C4'-P energy: -114.370 bonds (distance) P-C4' energy: -140.373 flat angles C4'-P-C4' energy: -112.754 flat angles P-C4'-P energy: -74.298 tors. eta vs tors. theta energy: -11.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -3096.330870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.330870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.330870 (E_RNA) where: Base-Base interactions energy: -2135.204 where: short stacking energy: -940.628 Base-Backbone interact. energy: -3.255 local terms energy: -957.872629 where: bonds (distance) C4'-P energy: -176.070 bonds (distance) P-C4' energy: -173.931 flat angles C4'-P-C4' energy: -196.823 flat angles P-C4'-P energy: -132.062 tors. eta vs tors. theta energy: -278.987 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: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -3016.818047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.818047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.818047 (E_RNA) where: Base-Base interactions energy: -2071.741 where: short stacking energy: -922.364 Base-Backbone interact. energy: -3.163 local terms energy: -941.913965 where: bonds (distance) C4'-P energy: -160.841 bonds (distance) P-C4' energy: -162.749 flat angles C4'-P-C4' energy: -203.759 flat angles P-C4'-P energy: -133.409 tors. eta vs tors. theta energy: -281.156 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: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2874.671006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.671006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.671006 (E_RNA) where: Base-Base interactions energy: -1957.828 where: short stacking energy: -883.513 Base-Backbone interact. energy: -4.754 local terms energy: -912.088508 where: bonds (distance) C4'-P energy: -163.518 bonds (distance) P-C4' energy: -175.306 flat angles C4'-P-C4' energy: -186.909 flat angles P-C4'-P energy: -118.553 tors. eta vs tors. theta energy: -267.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2731.940781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.940781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.940781 (E_RNA) where: Base-Base interactions energy: -1909.074 where: short stacking energy: -815.716 Base-Backbone interact. energy: -4.968 local terms energy: -817.898350 where: bonds (distance) C4'-P energy: -140.599 bonds (distance) P-C4' energy: -156.623 flat angles C4'-P-C4' energy: -181.832 flat angles P-C4'-P energy: -107.755 tors. eta vs tors. theta energy: -231.090 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: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2704.015263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.015263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.015263 (E_RNA) where: Base-Base interactions energy: -1873.264 where: short stacking energy: -817.887 Base-Backbone interact. energy: -4.547 local terms energy: -826.203883 where: bonds (distance) C4'-P energy: -146.527 bonds (distance) P-C4' energy: -154.718 flat angles C4'-P-C4' energy: -185.109 flat angles P-C4'-P energy: -106.376 tors. eta vs tors. theta energy: -233.474 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: 95 Temperature: 1.150000 Total energy: -2452.060132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.060132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.060132 (E_RNA) where: Base-Base interactions energy: -1692.230 where: short stacking energy: -756.674 Base-Backbone interact. energy: 0.077 local terms energy: -759.907610 where: bonds (distance) C4'-P energy: -132.438 bonds (distance) P-C4' energy: -155.914 flat angles C4'-P-C4' energy: -154.742 flat angles P-C4'-P energy: -106.360 tors. eta vs tors. theta energy: -210.454 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: 8 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -2189.732653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.732653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.732653 (E_RNA) where: Base-Base interactions energy: -1507.749 where: short stacking energy: -678.907 Base-Backbone interact. energy: 1.984 local terms energy: -683.967311 where: bonds (distance) C4'-P energy: -140.482 bonds (distance) P-C4' energy: -125.835 flat angles C4'-P-C4' energy: -166.769 flat angles P-C4'-P energy: -92.645 tors. eta vs tors. theta energy: -158.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -2099.767423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.767423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.767423 (E_RNA) where: Base-Base interactions energy: -1423.710 where: short stacking energy: -681.415 Base-Backbone interact. energy: -0.703 local terms energy: -675.354346 where: bonds (distance) C4'-P energy: -123.602 bonds (distance) P-C4' energy: -122.129 flat angles C4'-P-C4' energy: -163.061 flat angles P-C4'-P energy: -98.980 tors. eta vs tors. theta energy: -167.582 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: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1569.078040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.078040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.078040 (E_RNA) where: Base-Base interactions energy: -1012.362 where: short stacking energy: -485.552 Base-Backbone interact. energy: 4.657 local terms energy: -561.373754 where: bonds (distance) C4'-P energy: -116.237 bonds (distance) P-C4' energy: -134.050 flat angles C4'-P-C4' energy: -130.323 flat angles P-C4'-P energy: -96.843 tors. eta vs tors. theta energy: -83.920 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: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1093.265696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.265696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.265696 (E_RNA) where: Base-Base interactions energy: -600.239 where: short stacking energy: -315.508 Base-Backbone interact. energy: 3.884 local terms energy: -496.910455 where: bonds (distance) C4'-P energy: -130.460 bonds (distance) P-C4' energy: -138.738 flat angles C4'-P-C4' energy: -124.266 flat angles P-C4'-P energy: -86.903 tors. eta vs tors. theta energy: -16.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -3096.812316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.812316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.812316 (E_RNA) where: Base-Base interactions energy: -2159.159 where: short stacking energy: -968.325 Base-Backbone interact. energy: -1.136 local terms energy: -936.517337 where: bonds (distance) C4'-P energy: -173.161 bonds (distance) P-C4' energy: -153.529 flat angles C4'-P-C4' energy: -192.278 flat angles P-C4'-P energy: -139.265 tors. eta vs tors. theta energy: -278.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2981.773990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.773990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.773990 (E_RNA) where: Base-Base interactions energy: -2060.408 where: short stacking energy: -933.977 Base-Backbone interact. energy: -0.569 local terms energy: -920.796638 where: bonds (distance) C4'-P energy: -157.534 bonds (distance) P-C4' energy: -164.499 flat angles C4'-P-C4' energy: -196.714 flat angles P-C4'-P energy: -128.463 tors. eta vs tors. theta energy: -273.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2851.919135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.919135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.919135 (E_RNA) where: Base-Base interactions energy: -1952.004 where: short stacking energy: -864.958 Base-Backbone interact. energy: -1.107 local terms energy: -898.807827 where: bonds (distance) C4'-P energy: -163.367 bonds (distance) P-C4' energy: -164.740 flat angles C4'-P-C4' energy: -182.159 flat angles P-C4'-P energy: -127.314 tors. eta vs tors. theta energy: -261.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2785.214426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.214426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.214426 (E_RNA) where: Base-Base interactions energy: -1929.889 where: short stacking energy: -837.952 Base-Backbone interact. energy: -2.569 local terms energy: -852.756806 where: bonds (distance) C4'-P energy: -157.653 bonds (distance) P-C4' energy: -155.609 flat angles C4'-P-C4' energy: -187.217 flat angles P-C4'-P energy: -112.260 tors. eta vs tors. theta energy: -240.018 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: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2648.999448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.999448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.999448 (E_RNA) where: Base-Base interactions energy: -1843.113 where: short stacking energy: -793.465 Base-Backbone interact. energy: -3.482 local terms energy: -802.404873 where: bonds (distance) C4'-P energy: -126.869 bonds (distance) P-C4' energy: -157.659 flat angles C4'-P-C4' energy: -168.028 flat angles P-C4'-P energy: -131.251 tors. eta vs tors. theta energy: -218.598 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: 96 Temperature: 1.150000 Total energy: -2513.158620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.158620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.158620 (E_RNA) where: Base-Base interactions energy: -1707.887 where: short stacking energy: -744.484 Base-Backbone interact. energy: 0.205 local terms energy: -805.477262 where: bonds (distance) C4'-P energy: -148.894 bonds (distance) P-C4' energy: -160.280 flat angles C4'-P-C4' energy: -167.809 flat angles P-C4'-P energy: -108.676 tors. eta vs tors. theta energy: -219.819 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: 7, replica: 8 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -2351.437979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.437979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.437979 (E_RNA) where: Base-Base interactions energy: -1626.470 where: short stacking energy: -728.269 Base-Backbone interact. energy: -1.903 local terms energy: -723.064447 where: bonds (distance) C4'-P energy: -122.668 bonds (distance) P-C4' energy: -149.493 flat angles C4'-P-C4' energy: -169.454 flat angles P-C4'-P energy: -87.501 tors. eta vs tors. theta energy: -193.948 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: 6 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -2012.431536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.431536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.431536 (E_RNA) where: Base-Base interactions energy: -1342.214 where: short stacking energy: -610.681 Base-Backbone interact. energy: 5.490 local terms energy: -675.706890 where: bonds (distance) C4'-P energy: -136.502 bonds (distance) P-C4' energy: -140.881 flat angles C4'-P-C4' energy: -141.828 flat angles P-C4'-P energy: -115.189 tors. eta vs tors. theta energy: -141.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1470.496601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.496601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.496601 (E_RNA) where: Base-Base interactions energy: -912.307 where: short stacking energy: -403.550 Base-Backbone interact. energy: 7.278 local terms energy: -565.467735 where: bonds (distance) C4'-P energy: -121.665 bonds (distance) P-C4' energy: -148.740 flat angles C4'-P-C4' energy: -141.268 flat angles P-C4'-P energy: -92.830 tors. eta vs tors. theta energy: -60.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1152.597438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.597438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.597438 (E_RNA) where: Base-Base interactions energy: -634.177 where: short stacking energy: -350.290 Base-Backbone interact. energy: -1.811 local terms energy: -516.609725 where: bonds (distance) C4'-P energy: -132.655 bonds (distance) P-C4' energy: -135.898 flat angles C4'-P-C4' energy: -130.345 flat angles P-C4'-P energy: -67.629 tors. eta vs tors. theta energy: -50.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -3101.904864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.904864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.904864 (E_RNA) where: Base-Base interactions energy: -2149.035 where: short stacking energy: -920.148 Base-Backbone interact. energy: -2.154 local terms energy: -950.715380 where: bonds (distance) C4'-P energy: -166.931 bonds (distance) P-C4' energy: -169.422 flat angles C4'-P-C4' energy: -200.155 flat angles P-C4'-P energy: -137.684 tors. eta vs tors. theta energy: -276.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2963.613951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.613951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.613951 (E_RNA) where: Base-Base interactions energy: -2080.751 where: short stacking energy: -931.514 Base-Backbone interact. energy: 5.057 local terms energy: -887.920166 where: bonds (distance) C4'-P energy: -142.653 bonds (distance) P-C4' energy: -176.494 flat angles C4'-P-C4' energy: -168.489 flat angles P-C4'-P energy: -125.209 tors. eta vs tors. theta energy: -275.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2840.714406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.714406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.714406 (E_RNA) where: Base-Base interactions energy: -1950.648 where: short stacking energy: -887.841 Base-Backbone interact. energy: -4.141 local terms energy: -885.925301 where: bonds (distance) C4'-P energy: -153.191 bonds (distance) P-C4' energy: -168.442 flat angles C4'-P-C4' energy: -181.623 flat angles P-C4'-P energy: -120.055 tors. eta vs tors. theta energy: -262.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2818.888892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.888892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.888892 (E_RNA) where: Base-Base interactions energy: -1963.903 where: short stacking energy: -852.542 Base-Backbone interact. energy: 0.140 local terms energy: -855.126712 where: bonds (distance) C4'-P energy: -156.066 bonds (distance) P-C4' energy: -148.042 flat angles C4'-P-C4' energy: -177.374 flat angles P-C4'-P energy: -119.331 tors. eta vs tors. theta energy: -254.314 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: 97 Temperature: 1.100000 Total energy: -2661.406799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.406799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.406799 (E_RNA) where: Base-Base interactions energy: -1840.836 where: short stacking energy: -788.867 Base-Backbone interact. energy: -1.085 local terms energy: -819.486719 where: bonds (distance) C4'-P energy: -145.361 bonds (distance) P-C4' energy: -149.455 flat angles C4'-P-C4' energy: -181.086 flat angles P-C4'-P energy: -115.537 tors. eta vs tors. theta energy: -228.047 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: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2557.111873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.111873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.111873 (E_RNA) where: Base-Base interactions energy: -1769.088 where: short stacking energy: -780.030 Base-Backbone interact. energy: -0.853 local terms energy: -787.171405 where: bonds (distance) C4'-P energy: -131.310 bonds (distance) P-C4' energy: -135.713 flat angles C4'-P-C4' energy: -181.082 flat angles P-C4'-P energy: -116.257 tors. eta vs tors. theta energy: -222.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -2371.502956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.502956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.502956 (E_RNA) where: Base-Base interactions energy: -1601.288 where: short stacking energy: -717.061 Base-Backbone interact. energy: -5.665 local terms energy: -764.549604 where: bonds (distance) C4'-P energy: -142.296 bonds (distance) P-C4' energy: -136.800 flat angles C4'-P-C4' energy: -179.757 flat angles P-C4'-P energy: -93.890 tors. eta vs tors. theta energy: -211.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1980.846211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.846211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.846211 (E_RNA) where: Base-Base interactions energy: -1336.077 where: short stacking energy: -597.886 Base-Backbone interact. energy: 0.391 local terms energy: -645.160021 where: bonds (distance) C4'-P energy: -114.943 bonds (distance) P-C4' energy: -139.983 flat angles C4'-P-C4' energy: -167.383 flat angles P-C4'-P energy: -76.451 tors. eta vs tors. theta energy: -146.399 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: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1445.756973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.756973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.756973 (E_RNA) where: Base-Base interactions energy: -867.574 where: short stacking energy: -428.027 Base-Backbone interact. energy: -1.816 local terms energy: -576.366503 where: bonds (distance) C4'-P energy: -151.412 bonds (distance) P-C4' energy: -146.557 flat angles C4'-P-C4' energy: -134.249 flat angles P-C4'-P energy: -77.728 tors. eta vs tors. theta energy: -66.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1138.152428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.152428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.152428 (E_RNA) where: Base-Base interactions energy: -681.301 where: short stacking energy: -346.735 Base-Backbone interact. energy: 3.673 local terms energy: -460.524107 where: bonds (distance) C4'-P energy: -107.503 bonds (distance) P-C4' energy: -133.632 flat angles C4'-P-C4' energy: -116.372 flat angles P-C4'-P energy: -80.464 tors. eta vs tors. theta energy: -22.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -3023.222112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.222112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.222112 (E_RNA) where: Base-Base interactions energy: -2077.036 where: short stacking energy: -928.139 Base-Backbone interact. energy: -3.785 local terms energy: -942.401128 where: bonds (distance) C4'-P energy: -168.789 bonds (distance) P-C4' energy: -175.741 flat angles C4'-P-C4' energy: -193.477 flat angles P-C4'-P energy: -132.583 tors. eta vs tors. theta energy: -271.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -3035.970832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.970832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.970832 (E_RNA) where: Base-Base interactions energy: -2129.641 where: short stacking energy: -924.047 Base-Backbone interact. energy: 7.458 local terms energy: -913.787989 where: bonds (distance) C4'-P energy: -152.049 bonds (distance) P-C4' energy: -160.768 flat angles C4'-P-C4' energy: -199.177 flat angles P-C4'-P energy: -139.593 tors. eta vs tors. theta energy: -262.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2878.448280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.448280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.448280 (E_RNA) where: Base-Base interactions energy: -1989.937 where: short stacking energy: -915.301 Base-Backbone interact. energy: -4.075 local terms energy: -884.435833 where: bonds (distance) C4'-P energy: -160.467 bonds (distance) P-C4' energy: -139.677 flat angles C4'-P-C4' energy: -180.826 flat angles P-C4'-P energy: -131.624 tors. eta vs tors. theta energy: -271.842 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: 7 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2781.101386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.101386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.101386 (E_RNA) where: Base-Base interactions energy: -1949.197 where: short stacking energy: -855.446 Base-Backbone interact. energy: -1.951 local terms energy: -829.953215 where: bonds (distance) C4'-P energy: -148.722 bonds (distance) P-C4' energy: -141.195 flat angles C4'-P-C4' energy: -182.136 flat angles P-C4'-P energy: -110.826 tors. eta vs tors. theta energy: -247.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2706.539889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.539889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.539889 (E_RNA) where: Base-Base interactions energy: -1881.668 where: short stacking energy: -836.769 Base-Backbone interact. energy: -0.977 local terms energy: -823.894289 where: bonds (distance) C4'-P energy: -145.587 bonds (distance) P-C4' energy: -166.520 flat angles C4'-P-C4' energy: -167.830 flat angles P-C4'-P energy: -105.121 tors. eta vs tors. theta energy: -238.836 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: 6, replica: 1 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2591.888491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.888491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.888491 (E_RNA) where: Base-Base interactions energy: -1806.767 where: short stacking energy: -803.575 Base-Backbone interact. energy: -2.208 local terms energy: -782.913650 where: bonds (distance) C4'-P energy: -123.916 bonds (distance) P-C4' energy: -145.960 flat angles C4'-P-C4' energy: -179.240 flat angles P-C4'-P energy: -93.440 tors. eta vs tors. theta energy: -240.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -2340.391476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.391476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.391476 (E_RNA) where: Base-Base interactions energy: -1621.104 where: short stacking energy: -752.716 Base-Backbone interact. energy: 4.438 local terms energy: -723.725370 where: bonds (distance) C4'-P energy: -146.034 bonds (distance) P-C4' energy: -141.831 flat angles C4'-P-C4' energy: -153.698 flat angles P-C4'-P energy: -89.727 tors. eta vs tors. theta energy: -192.435 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: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -2013.724868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.724868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.724868 (E_RNA) where: Base-Base interactions energy: -1358.164 where: short stacking energy: -608.771 Base-Backbone interact. energy: 3.503 local terms energy: -659.064067 where: bonds (distance) C4'-P energy: -130.508 bonds (distance) P-C4' energy: -146.101 flat angles C4'-P-C4' energy: -154.154 flat angles P-C4'-P energy: -78.048 tors. eta vs tors. theta energy: -150.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1379.200853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.200853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.200853 (E_RNA) where: Base-Base interactions energy: -892.299 where: short stacking energy: -420.226 Base-Backbone interact. energy: -0.505 local terms energy: -486.396761 where: bonds (distance) C4'-P energy: -112.812 bonds (distance) P-C4' energy: -126.864 flat angles C4'-P-C4' energy: -115.252 flat angles P-C4'-P energy: -72.209 tors. eta vs tors. theta energy: -59.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1203.409721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.409721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.409721 (E_RNA) where: Base-Base interactions energy: -703.596 where: short stacking energy: -386.417 Base-Backbone interact. energy: 4.246 local terms energy: -504.059626 where: bonds (distance) C4'-P energy: -121.336 bonds (distance) P-C4' energy: -144.548 flat angles C4'-P-C4' energy: -137.072 flat angles P-C4'-P energy: -66.061 tors. eta vs tors. theta energy: -35.043 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: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -3048.484614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.484614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.484614 (E_RNA) where: Base-Base interactions energy: -2126.470 where: short stacking energy: -923.584 Base-Backbone interact. energy: -2.123 local terms energy: -919.891680 where: bonds (distance) C4'-P energy: -164.912 bonds (distance) P-C4' energy: -175.216 flat angles C4'-P-C4' energy: -196.981 flat angles P-C4'-P energy: -128.076 tors. eta vs tors. theta energy: -254.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -3036.039072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.039072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.039072 (E_RNA) where: Base-Base interactions energy: -2113.243 where: short stacking energy: -921.097 Base-Backbone interact. energy: 3.209 local terms energy: -926.004549 where: bonds (distance) C4'-P energy: -172.544 bonds (distance) P-C4' energy: -163.675 flat angles C4'-P-C4' energy: -193.557 flat angles P-C4'-P energy: -129.781 tors. eta vs tors. theta energy: -266.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2864.675695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.675695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.675695 (E_RNA) where: Base-Base interactions energy: -1994.035 where: short stacking energy: -857.534 Base-Backbone interact. energy: -1.418 local terms energy: -869.222648 where: bonds (distance) C4'-P energy: -148.754 bonds (distance) P-C4' energy: -141.055 flat angles C4'-P-C4' energy: -189.977 flat angles P-C4'-P energy: -116.279 tors. eta vs tors. theta energy: -273.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2707.904339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.904339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.904339 (E_RNA) where: Base-Base interactions energy: -1898.187 where: short stacking energy: -782.349 Base-Backbone interact. energy: -5.104 local terms energy: -804.614139 where: bonds (distance) C4'-P energy: -145.321 bonds (distance) P-C4' energy: -154.774 flat angles C4'-P-C4' energy: -177.917 flat angles P-C4'-P energy: -102.192 tors. eta vs tors. theta energy: -224.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2649.719372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.719372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.719372 (E_RNA) where: Base-Base interactions energy: -1838.413 where: short stacking energy: -812.139 Base-Backbone interact. energy: -1.093 local terms energy: -810.212980 where: bonds (distance) C4'-P energy: -149.844 bonds (distance) P-C4' energy: -152.033 flat angles C4'-P-C4' energy: -169.395 flat angles P-C4'-P energy: -106.525 tors. eta vs tors. theta energy: -232.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2461.678999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.678999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.678999 (E_RNA) where: Base-Base interactions energy: -1727.327 where: short stacking energy: -730.307 Base-Backbone interact. energy: -2.167 local terms energy: -732.184413 where: bonds (distance) C4'-P energy: -138.478 bonds (distance) P-C4' energy: -139.340 flat angles C4'-P-C4' energy: -144.538 flat angles P-C4'-P energy: -92.005 tors. eta vs tors. theta energy: -217.822 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: 7, replica: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -2329.369715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.369715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.369715 (E_RNA) where: Base-Base interactions energy: -1577.822 where: short stacking energy: -706.246 Base-Backbone interact. energy: 0.330 local terms energy: -751.877486 where: bonds (distance) C4'-P energy: -136.282 bonds (distance) P-C4' energy: -140.564 flat angles C4'-P-C4' energy: -176.739 flat angles P-C4'-P energy: -106.204 tors. eta vs tors. theta energy: -192.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1970.967443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.967443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.967443 (E_RNA) where: Base-Base interactions energy: -1362.504 where: short stacking energy: -600.216 Base-Backbone interact. energy: -1.621 local terms energy: -606.842753 where: bonds (distance) C4'-P energy: -117.602 bonds (distance) P-C4' energy: -92.869 flat angles C4'-P-C4' energy: -156.501 flat angles P-C4'-P energy: -89.583 tors. eta vs tors. theta energy: -150.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1397.876070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.876070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.876070 (E_RNA) where: Base-Base interactions energy: -854.972 where: short stacking energy: -420.315 Base-Backbone interact. energy: 0.029 local terms energy: -542.932963 where: bonds (distance) C4'-P energy: -140.488 bonds (distance) P-C4' energy: -125.258 flat angles C4'-P-C4' energy: -131.810 flat angles P-C4'-P energy: -81.981 tors. eta vs tors. theta energy: -63.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1189.124505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.124505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.124505 (E_RNA) where: Base-Base interactions energy: -674.847 where: short stacking energy: -339.296 Base-Backbone interact. energy: -0.198 local terms energy: -514.080180 where: bonds (distance) C4'-P energy: -125.080 bonds (distance) P-C4' energy: -127.441 flat angles C4'-P-C4' energy: -117.875 flat angles P-C4'-P energy: -98.212 tors. eta vs tors. theta energy: -45.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -3096.984868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.984868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.984868 (E_RNA) where: Base-Base interactions energy: -2147.905 where: short stacking energy: -930.642 Base-Backbone interact. energy: 2.283 local terms energy: -951.362861 where: bonds (distance) C4'-P energy: -182.051 bonds (distance) P-C4' energy: -155.929 flat angles C4'-P-C4' energy: -201.485 flat angles P-C4'-P energy: -137.049 tors. eta vs tors. theta energy: -274.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2962.056218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.056218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.056218 (E_RNA) where: Base-Base interactions energy: -2066.903 where: short stacking energy: -903.800 Base-Backbone interact. energy: -3.038 local terms energy: -892.114868 where: bonds (distance) C4'-P energy: -166.611 bonds (distance) P-C4' energy: -147.475 flat angles C4'-P-C4' energy: -194.077 flat angles P-C4'-P energy: -122.207 tors. eta vs tors. theta energy: -261.745 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: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2859.716106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.716106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.716106 (E_RNA) where: Base-Base interactions energy: -1993.447 where: short stacking energy: -862.027 Base-Backbone interact. energy: -3.793 local terms energy: -862.476709 where: bonds (distance) C4'-P energy: -139.673 bonds (distance) P-C4' energy: -163.921 flat angles C4'-P-C4' energy: -183.402 flat angles P-C4'-P energy: -117.442 tors. eta vs tors. theta energy: -258.039 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: 100 Temperature: 1.050000 Total energy: -2742.613204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.613204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.613204 (E_RNA) where: Base-Base interactions energy: -1897.843 where: short stacking energy: -819.016 Base-Backbone interact. energy: -1.994 local terms energy: -842.776023 where: bonds (distance) C4'-P energy: -141.831 bonds (distance) P-C4' energy: -167.304 flat angles C4'-P-C4' energy: -170.891 flat angles P-C4'-P energy: -129.115 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: 5, replica: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2626.439848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.439848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.439848 (E_RNA) where: Base-Base interactions energy: -1829.674 where: short stacking energy: -818.646 Base-Backbone interact. energy: -2.062 local terms energy: -794.704239 where: bonds (distance) C4'-P energy: -117.189 bonds (distance) P-C4' energy: -143.538 flat angles C4'-P-C4' energy: -177.662 flat angles P-C4'-P energy: -121.316 tors. eta vs tors. theta energy: -234.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2529.593835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.593835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.593835 (E_RNA) where: Base-Base interactions energy: -1737.962 where: short stacking energy: -751.437 Base-Backbone interact. energy: -2.607 local terms energy: -789.024195 where: bonds (distance) C4'-P energy: -152.823 bonds (distance) P-C4' energy: -148.260 flat angles C4'-P-C4' energy: -163.650 flat angles P-C4'-P energy: -109.790 tors. eta vs tors. theta energy: -214.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -2307.931628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.931628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.931628 (E_RNA) where: Base-Base interactions energy: -1550.655 where: short stacking energy: -664.281 Base-Backbone interact. energy: -2.419 local terms energy: -754.858509 where: bonds (distance) C4'-P energy: -147.805 bonds (distance) P-C4' energy: -153.305 flat angles C4'-P-C4' energy: -163.605 flat angles P-C4'-P energy: -116.765 tors. eta vs tors. theta energy: -173.379 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: 8, replica: 6 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1996.263364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.263364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.263364 (E_RNA) where: Base-Base interactions energy: -1363.533 where: short stacking energy: -604.641 Base-Backbone interact. energy: 1.471 local terms energy: -634.200588 where: bonds (distance) C4'-P energy: -124.139 bonds (distance) P-C4' energy: -145.376 flat angles C4'-P-C4' energy: -154.593 flat angles P-C4'-P energy: -66.930 tors. eta vs tors. theta energy: -143.163 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: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1360.457793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.457793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.457793 (E_RNA) where: Base-Base interactions energy: -803.580 where: short stacking energy: -413.424 Base-Backbone interact. energy: -0.278 local terms energy: -556.599867 where: bonds (distance) C4'-P energy: -110.212 bonds (distance) P-C4' energy: -149.248 flat angles C4'-P-C4' energy: -145.535 flat angles P-C4'-P energy: -76.721 tors. eta vs tors. theta energy: -74.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1232.234097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.234097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.234097 (E_RNA) where: Base-Base interactions energy: -725.417 where: short stacking energy: -369.113 Base-Backbone interact. energy: -1.800 local terms energy: -505.016562 where: bonds (distance) C4'-P energy: -144.891 bonds (distance) P-C4' energy: -144.915 flat angles C4'-P-C4' energy: -105.585 flat angles P-C4'-P energy: -56.826 tors. eta vs tors. theta energy: -52.800 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: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -3080.298824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.298824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.298824 (E_RNA) where: Base-Base interactions energy: -2154.109 where: short stacking energy: -922.901 Base-Backbone interact. energy: -0.188 local terms energy: -926.002239 where: bonds (distance) C4'-P energy: -161.379 bonds (distance) P-C4' energy: -160.250 flat angles C4'-P-C4' energy: -191.575 flat angles P-C4'-P energy: -129.678 tors. eta vs tors. theta energy: -283.121 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: 5 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2964.409504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.409504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.409504 (E_RNA) where: Base-Base interactions energy: -2048.670 where: short stacking energy: -890.870 Base-Backbone interact. energy: -4.371 local terms energy: -911.368518 where: bonds (distance) C4'-P energy: -167.205 bonds (distance) P-C4' energy: -159.700 flat angles C4'-P-C4' energy: -189.705 flat angles P-C4'-P energy: -139.950 tors. eta vs tors. theta energy: -254.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2863.183401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.183401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.183401 (E_RNA) where: Base-Base interactions energy: -1997.951 where: short stacking energy: -866.332 Base-Backbone interact. energy: -4.854 local terms energy: -860.378280 where: bonds (distance) C4'-P energy: -156.076 bonds (distance) P-C4' energy: -154.918 flat angles C4'-P-C4' energy: -172.827 flat angles P-C4'-P energy: -119.294 tors. eta vs tors. theta energy: -257.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2744.072963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.072963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.072963 (E_RNA) where: Base-Base interactions energy: -1883.872 where: short stacking energy: -796.611 Base-Backbone interact. energy: -2.993 local terms energy: -857.208050 where: bonds (distance) C4'-P energy: -159.290 bonds (distance) P-C4' energy: -156.067 flat angles C4'-P-C4' energy: -188.129 flat angles P-C4'-P energy: -119.408 tors. eta vs tors. theta energy: -234.314 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: 101 Temperature: 1.100000 Total energy: -2599.193480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.193480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.193480 (E_RNA) where: Base-Base interactions energy: -1820.265 where: short stacking energy: -795.662 Base-Backbone interact. energy: -0.576 local terms energy: -778.352079 where: bonds (distance) C4'-P energy: -128.202 bonds (distance) P-C4' energy: -139.836 flat angles C4'-P-C4' energy: -172.279 flat angles P-C4'-P energy: -98.389 tors. eta vs tors. theta energy: -239.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2521.837941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.837941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.837941 (E_RNA) where: Base-Base interactions energy: -1737.881 where: short stacking energy: -739.294 Base-Backbone interact. energy: -1.529 local terms energy: -782.428311 where: bonds (distance) C4'-P energy: -123.823 bonds (distance) P-C4' energy: -152.558 flat angles C4'-P-C4' energy: -167.689 flat angles P-C4'-P energy: -111.888 tors. eta vs tors. theta energy: -226.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -2280.415954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.415954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.415954 (E_RNA) where: Base-Base interactions energy: -1583.603 where: short stacking energy: -656.930 Base-Backbone interact. energy: -3.317 local terms energy: -693.495636 where: bonds (distance) C4'-P energy: -127.073 bonds (distance) P-C4' energy: -135.134 flat angles C4'-P-C4' energy: -150.961 flat angles P-C4'-P energy: -106.430 tors. eta vs tors. theta energy: -173.897 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: 8, replica: 6 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -2026.835374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.835374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.835374 (E_RNA) where: Base-Base interactions energy: -1358.700 where: short stacking energy: -612.645 Base-Backbone interact. energy: 3.080 local terms energy: -671.215416 where: bonds (distance) C4'-P energy: -126.396 bonds (distance) P-C4' energy: -151.932 flat angles C4'-P-C4' energy: -142.410 flat angles P-C4'-P energy: -92.961 tors. eta vs tors. theta energy: -157.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1473.446714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.446714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.446714 (E_RNA) where: Base-Base interactions energy: -953.150 where: short stacking energy: -436.224 Base-Backbone interact. energy: -0.239 local terms energy: -520.058437 where: bonds (distance) C4'-P energy: -104.901 bonds (distance) P-C4' energy: -128.025 flat angles C4'-P-C4' energy: -140.899 flat angles P-C4'-P energy: -73.176 tors. eta vs tors. theta energy: -73.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1162.863600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.863600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.863600 (E_RNA) where: Base-Base interactions energy: -667.479 where: short stacking energy: -351.742 Base-Backbone interact. energy: -3.395 local terms energy: -491.990298 where: bonds (distance) C4'-P energy: -110.080 bonds (distance) P-C4' energy: -148.072 flat angles C4'-P-C4' energy: -115.643 flat angles P-C4'-P energy: -72.594 tors. eta vs tors. theta energy: -45.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -3091.372472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.372472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.372472 (E_RNA) where: Base-Base interactions energy: -2157.900 where: short stacking energy: -934.921 Base-Backbone interact. energy: -0.656 local terms energy: -932.816798 where: bonds (distance) C4'-P energy: -162.649 bonds (distance) P-C4' energy: -167.435 flat angles C4'-P-C4' energy: -194.432 flat angles P-C4'-P energy: -130.671 tors. eta vs tors. theta energy: -277.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2960.971239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.971239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.971239 (E_RNA) where: Base-Base interactions energy: -2090.952 where: short stacking energy: -928.937 Base-Backbone interact. energy: -3.963 local terms energy: -866.056130 where: bonds (distance) C4'-P energy: -144.848 bonds (distance) P-C4' energy: -156.472 flat angles C4'-P-C4' energy: -179.663 flat angles P-C4'-P energy: -121.093 tors. eta vs tors. theta energy: -263.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2865.279823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.279823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.279823 (E_RNA) where: Base-Base interactions energy: -1992.306 where: short stacking energy: -863.551 Base-Backbone interact. energy: -3.347 local terms energy: -869.626281 where: bonds (distance) C4'-P energy: -150.820 bonds (distance) P-C4' energy: -160.828 flat angles C4'-P-C4' energy: -189.673 flat angles P-C4'-P energy: -118.989 tors. eta vs tors. theta energy: -249.316 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: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2747.245724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.245724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.245724 (E_RNA) where: Base-Base interactions energy: -1917.889 where: short stacking energy: -842.857 Base-Backbone interact. energy: -5.045 local terms energy: -824.312430 where: bonds (distance) C4'-P energy: -142.954 bonds (distance) P-C4' energy: -136.954 flat angles C4'-P-C4' energy: -189.716 flat angles P-C4'-P energy: -111.238 tors. eta vs tors. theta energy: -243.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2608.371315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.371315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.371315 (E_RNA) where: Base-Base interactions energy: -1796.580 where: short stacking energy: -807.038 Base-Backbone interact. energy: -3.730 local terms energy: -808.061102 where: bonds (distance) C4'-P energy: -137.924 bonds (distance) P-C4' energy: -144.107 flat angles C4'-P-C4' energy: -191.709 flat angles P-C4'-P energy: -109.708 tors. eta vs tors. theta energy: -224.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2598.588180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.588180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.588180 (E_RNA) where: Base-Base interactions energy: -1776.932 where: short stacking energy: -791.916 Base-Backbone interact. energy: 0.093 local terms energy: -821.749357 where: bonds (distance) C4'-P energy: -137.375 bonds (distance) P-C4' energy: -157.631 flat angles C4'-P-C4' energy: -168.328 flat angles P-C4'-P energy: -111.624 tors. eta vs tors. theta energy: -246.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -2354.516919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.516919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.516919 (E_RNA) where: Base-Base interactions energy: -1646.910 where: short stacking energy: -723.641 Base-Backbone interact. energy: -1.070 local terms energy: -706.536893 where: bonds (distance) C4'-P energy: -121.271 bonds (distance) P-C4' energy: -144.707 flat angles C4'-P-C4' energy: -150.877 flat angles P-C4'-P energy: -91.357 tors. eta vs tors. theta energy: -198.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -2059.158384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.158384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.158384 (E_RNA) where: Base-Base interactions energy: -1386.578 where: short stacking energy: -616.179 Base-Backbone interact. energy: 0.292 local terms energy: -672.872499 where: bonds (distance) C4'-P energy: -124.842 bonds (distance) P-C4' energy: -135.751 flat angles C4'-P-C4' energy: -143.433 flat angles P-C4'-P energy: -97.018 tors. eta vs tors. theta energy: -171.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1538.212438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.212438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.212438 (E_RNA) where: Base-Base interactions energy: -979.922 where: short stacking energy: -471.463 Base-Backbone interact. energy: -0.536 local terms energy: -557.754201 where: bonds (distance) C4'-P energy: -129.180 bonds (distance) P-C4' energy: -143.639 flat angles C4'-P-C4' energy: -121.290 flat angles P-C4'-P energy: -79.721 tors. eta vs tors. theta energy: -83.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1152.889578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.889578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.889578 (E_RNA) where: Base-Base interactions energy: -690.131 where: short stacking energy: -362.667 Base-Backbone interact. energy: -3.587 local terms energy: -459.171465 where: bonds (distance) C4'-P energy: -126.832 bonds (distance) P-C4' energy: -127.987 flat angles C4'-P-C4' energy: -113.406 flat angles P-C4'-P energy: -62.557 tors. eta vs tors. theta energy: -28.389 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: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -3094.320641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.320641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.320641 (E_RNA) where: Base-Base interactions energy: -2150.261 where: short stacking energy: -923.739 Base-Backbone interact. energy: 4.820 local terms energy: -948.879637 where: bonds (distance) C4'-P energy: -156.373 bonds (distance) P-C4' energy: -169.055 flat angles C4'-P-C4' energy: -202.979 flat angles P-C4'-P energy: -138.728 tors. eta vs tors. theta energy: -281.744 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: 5 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2975.570813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.570813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.570813 (E_RNA) where: Base-Base interactions energy: -2067.028 where: short stacking energy: -900.185 Base-Backbone interact. energy: -3.226 local terms energy: -905.316388 where: bonds (distance) C4'-P energy: -178.344 bonds (distance) P-C4' energy: -148.869 flat angles C4'-P-C4' energy: -190.651 flat angles P-C4'-P energy: -114.962 tors. eta vs tors. theta energy: -272.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2851.240181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.240181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.240181 (E_RNA) where: Base-Base interactions energy: -1941.232 where: short stacking energy: -842.853 Base-Backbone interact. energy: -4.489 local terms energy: -905.518269 where: bonds (distance) C4'-P energy: -172.843 bonds (distance) P-C4' energy: -165.357 flat angles C4'-P-C4' energy: -183.921 flat angles P-C4'-P energy: -128.034 tors. eta vs tors. theta energy: -255.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2675.122309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.122309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.122309 (E_RNA) where: Base-Base interactions energy: -1843.811 where: short stacking energy: -827.352 Base-Backbone interact. energy: -2.223 local terms energy: -829.088038 where: bonds (distance) C4'-P energy: -141.924 bonds (distance) P-C4' energy: -158.835 flat angles C4'-P-C4' energy: -171.438 flat angles P-C4'-P energy: -121.266 tors. eta vs tors. theta energy: -235.625 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: 103 Temperature: 1.100000 Total energy: -2680.134269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.134269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.134269 (E_RNA) where: Base-Base interactions energy: -1870.038 where: short stacking energy: -823.324 Base-Backbone interact. energy: -0.642 local terms energy: -809.453575 where: bonds (distance) C4'-P energy: -138.565 bonds (distance) P-C4' energy: -153.791 flat angles C4'-P-C4' energy: -177.125 flat angles P-C4'-P energy: -105.668 tors. eta vs tors. theta energy: -234.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2518.870966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.870966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.870966 (E_RNA) where: Base-Base interactions energy: -1756.162 where: short stacking energy: -768.471 Base-Backbone interact. energy: -2.611 local terms energy: -760.098850 where: bonds (distance) C4'-P energy: -134.609 bonds (distance) P-C4' energy: -128.107 flat angles C4'-P-C4' energy: -150.231 flat angles P-C4'-P energy: -118.452 tors. eta vs tors. theta energy: -228.700 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: 7, replica: 8 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -2320.912545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.912545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.912545 (E_RNA) where: Base-Base interactions energy: -1572.524 where: short stacking energy: -699.514 Base-Backbone interact. energy: -0.441 local terms energy: -747.946989 where: bonds (distance) C4'-P energy: -119.692 bonds (distance) P-C4' energy: -154.230 flat angles C4'-P-C4' energy: -167.115 flat angles P-C4'-P energy: -105.611 tors. eta vs tors. theta energy: -201.299 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: 6 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -2102.569143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.569143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.569143 (E_RNA) where: Base-Base interactions energy: -1411.253 where: short stacking energy: -647.725 Base-Backbone interact. energy: -3.891 local terms energy: -687.424578 where: bonds (distance) C4'-P energy: -150.460 bonds (distance) P-C4' energy: -119.930 flat angles C4'-P-C4' energy: -152.152 flat angles P-C4'-P energy: -97.703 tors. eta vs tors. theta energy: -167.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1509.844177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.844177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.844177 (E_RNA) where: Base-Base interactions energy: -947.748 where: short stacking energy: -434.499 Base-Backbone interact. energy: -0.163 local terms energy: -561.933253 where: bonds (distance) C4'-P energy: -139.397 bonds (distance) P-C4' energy: -128.178 flat angles C4'-P-C4' energy: -142.311 flat angles P-C4'-P energy: -83.289 tors. eta vs tors. theta energy: -68.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1216.340897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.340897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.340897 (E_RNA) where: Base-Base interactions energy: -710.155 where: short stacking energy: -380.512 Base-Backbone interact. energy: -5.398 local terms energy: -500.787970 where: bonds (distance) C4'-P energy: -129.501 bonds (distance) P-C4' energy: -145.187 flat angles C4'-P-C4' energy: -119.858 flat angles P-C4'-P energy: -77.618 tors. eta vs tors. theta energy: -28.625 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: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -3123.001728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.001728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.001728 (E_RNA) where: Base-Base interactions energy: -2155.115 where: short stacking energy: -949.149 Base-Backbone interact. energy: 3.477 local terms energy: -971.364134 where: bonds (distance) C4'-P energy: -186.050 bonds (distance) P-C4' energy: -176.344 flat angles C4'-P-C4' energy: -192.267 flat angles P-C4'-P energy: -136.500 tors. eta vs tors. theta energy: -280.203 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: 5 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2952.515402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.515402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.515402 (E_RNA) where: Base-Base interactions energy: -2027.609 where: short stacking energy: -905.841 Base-Backbone interact. energy: -2.267 local terms energy: -922.639801 where: bonds (distance) C4'-P energy: -174.784 bonds (distance) P-C4' energy: -182.265 flat angles C4'-P-C4' energy: -182.394 flat angles P-C4'-P energy: -118.917 tors. eta vs tors. theta energy: -264.280 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: 4 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2822.700636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.700636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.700636 (E_RNA) where: Base-Base interactions energy: -1945.889 where: short stacking energy: -845.983 Base-Backbone interact. energy: -3.834 local terms energy: -872.977162 where: bonds (distance) C4'-P energy: -164.646 bonds (distance) P-C4' energy: -159.827 flat angles C4'-P-C4' energy: -184.133 flat angles P-C4'-P energy: -120.218 tors. eta vs tors. theta energy: -244.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2713.682216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.682216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.682216 (E_RNA) where: Base-Base interactions energy: -1871.725 where: short stacking energy: -830.021 Base-Backbone interact. energy: -4.084 local terms energy: -837.872968 where: bonds (distance) C4'-P energy: -163.209 bonds (distance) P-C4' energy: -151.140 flat angles C4'-P-C4' energy: -177.173 flat angles P-C4'-P energy: -112.289 tors. eta vs tors. theta energy: -234.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2677.058246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.058246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.058246 (E_RNA) where: Base-Base interactions energy: -1858.843 where: short stacking energy: -787.928 Base-Backbone interact. energy: 0.828 local terms energy: -819.043744 where: bonds (distance) C4'-P energy: -151.733 bonds (distance) P-C4' energy: -148.124 flat angles C4'-P-C4' energy: -171.506 flat angles P-C4'-P energy: -123.964 tors. eta vs tors. theta energy: -223.717 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: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2598.584031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.584031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.584031 (E_RNA) where: Base-Base interactions energy: -1809.456 where: short stacking energy: -780.306 Base-Backbone interact. energy: -0.185 local terms energy: -788.942868 where: bonds (distance) C4'-P energy: -131.283 bonds (distance) P-C4' energy: -137.477 flat angles C4'-P-C4' energy: -179.948 flat angles P-C4'-P energy: -105.115 tors. eta vs tors. theta energy: -235.119 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: 7, replica: 8 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -2327.912780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.912780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.912780 (E_RNA) where: Base-Base interactions energy: -1627.699 where: short stacking energy: -725.408 Base-Backbone interact. energy: -1.031 local terms energy: -699.182645 where: bonds (distance) C4'-P energy: -129.589 bonds (distance) P-C4' energy: -130.438 flat angles C4'-P-C4' energy: -152.289 flat angles P-C4'-P energy: -101.340 tors. eta vs tors. theta energy: -185.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -2056.083611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.083611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.083611 (E_RNA) where: Base-Base interactions energy: -1357.716 where: short stacking energy: -584.346 Base-Backbone interact. energy: -4.059 local terms energy: -694.308375 where: bonds (distance) C4'-P energy: -143.502 bonds (distance) P-C4' energy: -145.629 flat angles C4'-P-C4' energy: -162.286 flat angles P-C4'-P energy: -92.294 tors. eta vs tors. theta energy: -150.597 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: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1492.997751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.997751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.997751 (E_RNA) where: Base-Base interactions energy: -961.664 where: short stacking energy: -438.730 Base-Backbone interact. energy: 0.475 local terms energy: -531.808738 where: bonds (distance) C4'-P energy: -111.746 bonds (distance) P-C4' energy: -117.087 flat angles C4'-P-C4' energy: -148.145 flat angles P-C4'-P energy: -83.041 tors. eta vs tors. theta energy: -71.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1115.814038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.814038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.814038 (E_RNA) where: Base-Base interactions energy: -658.317 where: short stacking energy: -329.576 Base-Backbone interact. energy: 5.474 local terms energy: -462.970946 where: bonds (distance) C4'-P energy: -123.751 bonds (distance) P-C4' energy: -139.138 flat angles C4'-P-C4' energy: -131.511 flat angles P-C4'-P energy: -60.938 tors. eta vs tors. theta energy: -7.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -3111.117299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.117299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.117299 (E_RNA) where: Base-Base interactions energy: -2176.472 where: short stacking energy: -941.639 Base-Backbone interact. energy: 5.004 local terms energy: -939.649753 where: bonds (distance) C4'-P energy: -170.506 bonds (distance) P-C4' energy: -171.263 flat angles C4'-P-C4' energy: -194.081 flat angles P-C4'-P energy: -127.946 tors. eta vs tors. theta energy: -275.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2900.110947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.110947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.110947 (E_RNA) where: Base-Base interactions energy: -1986.543 where: short stacking energy: -890.776 Base-Backbone interact. energy: -2.379 local terms energy: -911.189429 where: bonds (distance) C4'-P energy: -168.302 bonds (distance) P-C4' energy: -168.698 flat angles C4'-P-C4' energy: -177.929 flat angles P-C4'-P energy: -125.223 tors. eta vs tors. theta energy: -271.037 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: 5 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2922.702273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.702273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.702273 (E_RNA) where: Base-Base interactions energy: -2043.521 where: short stacking energy: -884.601 Base-Backbone interact. energy: -0.981 local terms energy: -878.200761 where: bonds (distance) C4'-P energy: -163.815 bonds (distance) P-C4' energy: -152.333 flat angles C4'-P-C4' energy: -178.827 flat angles P-C4'-P energy: -117.476 tors. eta vs tors. theta energy: -265.749 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: 105 Temperature: 1.050000 Total energy: -2769.577135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.577135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.577135 (E_RNA) where: Base-Base interactions energy: -1915.592 where: short stacking energy: -836.539 Base-Backbone interact. energy: -3.606 local terms energy: -850.379580 where: bonds (distance) C4'-P energy: -147.537 bonds (distance) P-C4' energy: -161.571 flat angles C4'-P-C4' energy: -182.093 flat angles P-C4'-P energy: -118.930 tors. eta vs tors. theta energy: -240.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2640.853907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.853907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.853907 (E_RNA) where: Base-Base interactions energy: -1862.178 where: short stacking energy: -801.405 Base-Backbone interact. energy: -3.282 local terms energy: -775.393050 where: bonds (distance) C4'-P energy: -125.506 bonds (distance) P-C4' energy: -137.250 flat angles C4'-P-C4' energy: -170.202 flat angles P-C4'-P energy: -99.016 tors. eta vs tors. theta energy: -243.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2558.450135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.450135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.450135 (E_RNA) where: Base-Base interactions energy: -1753.272 where: short stacking energy: -779.804 Base-Backbone interact. energy: -0.744 local terms energy: -804.434328 where: bonds (distance) C4'-P energy: -155.438 bonds (distance) P-C4' energy: -147.568 flat angles C4'-P-C4' energy: -165.598 flat angles P-C4'-P energy: -111.627 tors. eta vs tors. theta energy: -224.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -2349.542380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.542380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.542380 (E_RNA) where: Base-Base interactions energy: -1606.834 where: short stacking energy: -681.120 Base-Backbone interact. energy: -0.505 local terms energy: -742.203161 where: bonds (distance) C4'-P energy: -142.311 bonds (distance) P-C4' energy: -137.238 flat angles C4'-P-C4' energy: -173.001 flat angles P-C4'-P energy: -103.890 tors. eta vs tors. theta energy: -185.763 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: 6 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -2087.510748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.510748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.510748 (E_RNA) where: Base-Base interactions energy: -1426.718 where: short stacking energy: -639.232 Base-Backbone interact. energy: 4.162 local terms energy: -664.954429 where: bonds (distance) C4'-P energy: -112.062 bonds (distance) P-C4' energy: -124.934 flat angles C4'-P-C4' energy: -162.792 flat angles P-C4'-P energy: -99.923 tors. eta vs tors. theta energy: -165.243 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: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1541.212048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.212048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.212048 (E_RNA) where: Base-Base interactions energy: -1001.116 where: short stacking energy: -436.723 Base-Backbone interact. energy: 1.524 local terms energy: -541.619273 where: bonds (distance) C4'-P energy: -118.828 bonds (distance) P-C4' energy: -125.997 flat angles C4'-P-C4' energy: -133.760 flat angles P-C4'-P energy: -85.001 tors. eta vs tors. theta energy: -78.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1090.945193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.945193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.945193 (E_RNA) where: Base-Base interactions energy: -574.410 where: short stacking energy: -294.836 Base-Backbone interact. energy: 5.355 local terms energy: -521.890158 where: bonds (distance) C4'-P energy: -126.650 bonds (distance) P-C4' energy: -149.319 flat angles C4'-P-C4' energy: -144.451 flat angles P-C4'-P energy: -76.716 tors. eta vs tors. theta energy: -24.754 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: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -3085.597097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.597097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.597097 (E_RNA) where: Base-Base interactions energy: -2164.015 where: short stacking energy: -932.491 Base-Backbone interact. energy: 6.664 local terms energy: -928.245419 where: bonds (distance) C4'-P energy: -170.437 bonds (distance) P-C4' energy: -162.757 flat angles C4'-P-C4' energy: -191.595 flat angles P-C4'-P energy: -129.444 tors. eta vs tors. theta energy: -274.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2919.565640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.565640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.565640 (E_RNA) where: Base-Base interactions energy: -2009.612 where: short stacking energy: -875.020 Base-Backbone interact. energy: -2.835 local terms energy: -907.118956 where: bonds (distance) C4'-P energy: -177.758 bonds (distance) P-C4' energy: -161.145 flat angles C4'-P-C4' energy: -182.770 flat angles P-C4'-P energy: -119.353 tors. eta vs tors. theta energy: -266.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2885.928000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.928000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.928000 (E_RNA) where: Base-Base interactions energy: -1987.129 where: short stacking energy: -866.520 Base-Backbone interact. energy: -2.350 local terms energy: -896.448742 where: bonds (distance) C4'-P energy: -161.106 bonds (distance) P-C4' energy: -158.806 flat angles C4'-P-C4' energy: -188.182 flat angles P-C4'-P energy: -127.484 tors. eta vs tors. theta energy: -260.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2763.343393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.343393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.343393 (E_RNA) where: Base-Base interactions energy: -1901.565 where: short stacking energy: -851.513 Base-Backbone interact. energy: -4.078 local terms energy: -857.699749 where: bonds (distance) C4'-P energy: -156.736 bonds (distance) P-C4' energy: -149.808 flat angles C4'-P-C4' energy: -183.529 flat angles P-C4'-P energy: -122.364 tors. eta vs tors. theta energy: -245.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2635.737347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.737347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.737347 (E_RNA) where: Base-Base interactions energy: -1856.480 where: short stacking energy: -804.535 Base-Backbone interact. energy: -1.184 local terms energy: -778.073777 where: bonds (distance) C4'-P energy: -125.235 bonds (distance) P-C4' energy: -151.997 flat angles C4'-P-C4' energy: -175.364 flat angles P-C4'-P energy: -94.930 tors. eta vs tors. theta energy: -230.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2548.327415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.327415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.327415 (E_RNA) where: Base-Base interactions energy: -1771.344 where: short stacking energy: -782.203 Base-Backbone interact. energy: -1.801 local terms energy: -775.182278 where: bonds (distance) C4'-P energy: -131.119 bonds (distance) P-C4' energy: -119.684 flat angles C4'-P-C4' energy: -166.525 flat angles P-C4'-P energy: -113.765 tors. eta vs tors. theta energy: -244.090 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: 106 Temperature: 1.200000 Total energy: -2323.729458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.729458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.729458 (E_RNA) where: Base-Base interactions energy: -1592.342 where: short stacking energy: -698.676 Base-Backbone interact. energy: -2.286 local terms energy: -729.101339 where: bonds (distance) C4'-P energy: -136.810 bonds (distance) P-C4' energy: -132.530 flat angles C4'-P-C4' energy: -168.141 flat angles P-C4'-P energy: -98.835 tors. eta vs tors. theta energy: -192.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -2066.805589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.805589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.805589 (E_RNA) where: Base-Base interactions energy: -1400.437 where: short stacking energy: -620.136 Base-Backbone interact. energy: -1.253 local terms energy: -665.116271 where: bonds (distance) C4'-P energy: -151.502 bonds (distance) P-C4' energy: -126.905 flat angles C4'-P-C4' energy: -133.320 flat angles P-C4'-P energy: -94.312 tors. eta vs tors. theta energy: -159.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1559.278971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.278971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.278971 (E_RNA) where: Base-Base interactions energy: -1039.586 where: short stacking energy: -476.387 Base-Backbone interact. energy: -1.999 local terms energy: -517.693367 where: bonds (distance) C4'-P energy: -120.912 bonds (distance) P-C4' energy: -120.277 flat angles C4'-P-C4' energy: -125.900 flat angles P-C4'-P energy: -67.727 tors. eta vs tors. theta energy: -82.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1163.781997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.781997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.781997 (E_RNA) where: Base-Base interactions energy: -709.592 where: short stacking energy: -333.104 Base-Backbone interact. energy: -0.841 local terms energy: -453.349369 where: bonds (distance) C4'-P energy: -144.950 bonds (distance) P-C4' energy: -112.359 flat angles C4'-P-C4' energy: -94.019 flat angles P-C4'-P energy: -70.219 tors. eta vs tors. theta energy: -31.802 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: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -3110.752173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.752173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.752173 (E_RNA) where: Base-Base interactions energy: -2182.416 where: short stacking energy: -926.942 Base-Backbone interact. energy: 4.531 local terms energy: -932.866487 where: bonds (distance) C4'-P energy: -153.944 bonds (distance) P-C4' energy: -172.945 flat angles C4'-P-C4' energy: -201.172 flat angles P-C4'-P energy: -129.659 tors. eta vs tors. theta energy: -275.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2920.000400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.000400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.000400 (E_RNA) where: Base-Base interactions energy: -2039.608 where: short stacking energy: -901.057 Base-Backbone interact. energy: -3.409 local terms energy: -876.983302 where: bonds (distance) C4'-P energy: -147.133 bonds (distance) P-C4' energy: -147.671 flat angles C4'-P-C4' energy: -194.885 flat angles P-C4'-P energy: -112.684 tors. eta vs tors. theta energy: -274.610 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: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2893.732364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.732364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.732364 (E_RNA) where: Base-Base interactions energy: -2017.682 where: short stacking energy: -898.008 Base-Backbone interact. energy: -0.871 local terms energy: -875.179368 where: bonds (distance) C4'-P energy: -141.612 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -183.731 flat angles P-C4'-P energy: -125.852 tors. eta vs tors. theta energy: -274.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2721.459231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.459231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.459231 (E_RNA) where: Base-Base interactions energy: -1886.528 where: short stacking energy: -833.470 Base-Backbone interact. energy: -2.972 local terms energy: -831.959348 where: bonds (distance) C4'-P energy: -141.630 bonds (distance) P-C4' energy: -153.103 flat angles C4'-P-C4' energy: -180.926 flat angles P-C4'-P energy: -113.704 tors. eta vs tors. theta energy: -242.597 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: 7 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2708.786066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.786066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.786066 (E_RNA) where: Base-Base interactions energy: -1900.219 where: short stacking energy: -790.741 Base-Backbone interact. energy: -3.376 local terms energy: -805.191049 where: bonds (distance) C4'-P energy: -135.919 bonds (distance) P-C4' energy: -146.787 flat angles C4'-P-C4' energy: -170.556 flat angles P-C4'-P energy: -120.578 tors. eta vs tors. theta energy: -231.351 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: 1 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2540.750028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.750028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.750028 (E_RNA) where: Base-Base interactions energy: -1757.101 where: short stacking energy: -789.995 Base-Backbone interact. energy: -5.048 local terms energy: -778.600769 where: bonds (distance) C4'-P energy: -142.042 bonds (distance) P-C4' energy: -153.136 flat angles C4'-P-C4' energy: -166.347 flat angles P-C4'-P energy: -96.742 tors. eta vs tors. theta energy: -220.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -2309.335752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.335752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.335752 (E_RNA) where: Base-Base interactions energy: -1633.532 where: short stacking energy: -704.343 Base-Backbone interact. energy: -2.960 local terms energy: -672.844072 where: bonds (distance) C4'-P energy: -107.359 bonds (distance) P-C4' energy: -143.709 flat angles C4'-P-C4' energy: -152.222 flat angles P-C4'-P energy: -93.231 tors. eta vs tors. theta energy: -176.323 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: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -2135.743034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.743034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.743034 (E_RNA) where: Base-Base interactions energy: -1390.162 where: short stacking energy: -636.197 Base-Backbone interact. energy: -2.122 local terms energy: -743.458552 where: bonds (distance) C4'-P energy: -139.317 bonds (distance) P-C4' energy: -148.351 flat angles C4'-P-C4' energy: -150.150 flat angles P-C4'-P energy: -115.648 tors. eta vs tors. theta energy: -189.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1607.623861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.623861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.623861 (E_RNA) where: Base-Base interactions energy: -1034.773 where: short stacking energy: -497.863 Base-Backbone interact. energy: -2.409 local terms energy: -570.442111 where: bonds (distance) C4'-P energy: -123.739 bonds (distance) P-C4' energy: -138.857 flat angles C4'-P-C4' energy: -139.961 flat angles P-C4'-P energy: -68.685 tors. eta vs tors. theta energy: -99.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1104.967323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.967323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.967323 (E_RNA) where: Base-Base interactions energy: -621.945 where: short stacking energy: -304.271 Base-Backbone interact. energy: -0.890 local terms energy: -482.132857 where: bonds (distance) C4'-P energy: -120.940 bonds (distance) P-C4' energy: -153.056 flat angles C4'-P-C4' energy: -120.900 flat angles P-C4'-P energy: -60.368 tors. eta vs tors. theta energy: -26.869 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: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -3094.704723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.704723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.704723 (E_RNA) where: Base-Base interactions energy: -2143.849 where: short stacking energy: -895.871 Base-Backbone interact. energy: 5.230 local terms energy: -956.085384 where: bonds (distance) C4'-P energy: -172.691 bonds (distance) P-C4' energy: -183.013 flat angles C4'-P-C4' energy: -192.187 flat angles P-C4'-P energy: -135.449 tors. eta vs tors. theta energy: -272.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2917.412981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.412981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.412981 (E_RNA) where: Base-Base interactions energy: -1994.376 where: short stacking energy: -890.960 Base-Backbone interact. energy: -2.910 local terms energy: -920.126421 where: bonds (distance) C4'-P energy: -165.857 bonds (distance) P-C4' energy: -185.939 flat angles C4'-P-C4' energy: -178.913 flat angles P-C4'-P energy: -118.059 tors. eta vs tors. theta energy: -271.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2889.916709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.916709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.916709 (E_RNA) where: Base-Base interactions energy: -2014.613 where: short stacking energy: -897.749 Base-Backbone interact. energy: -2.150 local terms energy: -873.153979 where: bonds (distance) C4'-P energy: -154.067 bonds (distance) P-C4' energy: -132.299 flat angles C4'-P-C4' energy: -197.285 flat angles P-C4'-P energy: -113.799 tors. eta vs tors. theta energy: -275.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2774.575239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.575239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.575239 (E_RNA) where: Base-Base interactions energy: -1930.770 where: short stacking energy: -860.684 Base-Backbone interact. energy: -1.396 local terms energy: -842.409932 where: bonds (distance) C4'-P energy: -143.091 bonds (distance) P-C4' energy: -135.418 flat angles C4'-P-C4' energy: -189.551 flat angles P-C4'-P energy: -124.167 tors. eta vs tors. theta energy: -250.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2702.106435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.106435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.106435 (E_RNA) where: Base-Base interactions energy: -1894.417 where: short stacking energy: -851.764 Base-Backbone interact. energy: -3.407 local terms energy: -804.282177 where: bonds (distance) C4'-P energy: -146.558 bonds (distance) P-C4' energy: -139.635 flat angles C4'-P-C4' energy: -168.052 flat angles P-C4'-P energy: -107.340 tors. eta vs tors. theta energy: -242.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2551.839043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.839043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.839043 (E_RNA) where: Base-Base interactions energy: -1768.793 where: short stacking energy: -799.809 Base-Backbone interact. energy: -2.591 local terms energy: -780.454904 where: bonds (distance) C4'-P energy: -144.360 bonds (distance) P-C4' energy: -122.922 flat angles C4'-P-C4' energy: -169.690 flat angles P-C4'-P energy: -114.102 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: 7, replica: 8 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -2380.471538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.471538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.471538 (E_RNA) where: Base-Base interactions energy: -1603.335 where: short stacking energy: -712.349 Base-Backbone interact. energy: -6.189 local terms energy: -770.946882 where: bonds (distance) C4'-P energy: -150.254 bonds (distance) P-C4' energy: -143.462 flat angles C4'-P-C4' energy: -161.601 flat angles P-C4'-P energy: -116.904 tors. eta vs tors. theta energy: -198.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -2120.629612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.629612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.629612 (E_RNA) where: Base-Base interactions energy: -1407.086 where: short stacking energy: -630.405 Base-Backbone interact. energy: -2.276 local terms energy: -711.267102 where: bonds (distance) C4'-P energy: -153.690 bonds (distance) P-C4' energy: -139.077 flat angles C4'-P-C4' energy: -147.238 flat angles P-C4'-P energy: -104.580 tors. eta vs tors. theta energy: -166.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1609.601939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.601939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.601939 (E_RNA) where: Base-Base interactions energy: -1024.003 where: short stacking energy: -466.925 Base-Backbone interact. energy: -1.995 local terms energy: -583.603497 where: bonds (distance) C4'-P energy: -127.351 bonds (distance) P-C4' energy: -143.409 flat angles C4'-P-C4' energy: -129.821 flat angles P-C4'-P energy: -89.014 tors. eta vs tors. theta energy: -94.009 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: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1177.180585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.180585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.180585 (E_RNA) where: Base-Base interactions energy: -686.047 where: short stacking energy: -365.774 Base-Backbone interact. energy: 1.194 local terms energy: -492.327697 where: bonds (distance) C4'-P energy: -133.707 bonds (distance) P-C4' energy: -131.803 flat angles C4'-P-C4' energy: -135.113 flat angles P-C4'-P energy: -60.907 tors. eta vs tors. theta energy: -30.798 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: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -3091.007535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.007535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.007535 (E_RNA) where: Base-Base interactions energy: -2149.951 where: short stacking energy: -914.714 Base-Backbone interact. energy: 6.001 local terms energy: -947.057134 where: bonds (distance) C4'-P energy: -166.266 bonds (distance) P-C4' energy: -175.457 flat angles C4'-P-C4' energy: -202.719 flat angles P-C4'-P energy: -130.087 tors. eta vs tors. theta energy: -272.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2941.017616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.017616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.017616 (E_RNA) where: Base-Base interactions energy: -2042.674 where: short stacking energy: -875.454 Base-Backbone interact. energy: -4.206 local terms energy: -894.137429 where: bonds (distance) C4'-P energy: -164.200 bonds (distance) P-C4' energy: -170.003 flat angles C4'-P-C4' energy: -177.041 flat angles P-C4'-P energy: -118.543 tors. eta vs tors. theta energy: -264.351 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: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2941.142782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.142782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.142782 (E_RNA) where: Base-Base interactions energy: -2050.071 where: short stacking energy: -909.611 Base-Backbone interact. energy: 1.803 local terms energy: -892.874101 where: bonds (distance) C4'-P energy: -147.717 bonds (distance) P-C4' energy: -178.332 flat angles C4'-P-C4' energy: -190.866 flat angles P-C4'-P energy: -118.034 tors. eta vs tors. theta energy: -257.925 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: 2 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2773.512913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.512913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.512913 (E_RNA) where: Base-Base interactions energy: -1906.608 where: short stacking energy: -876.021 Base-Backbone interact. energy: -2.687 local terms energy: -864.217321 where: bonds (distance) C4'-P energy: -143.591 bonds (distance) P-C4' energy: -154.807 flat angles C4'-P-C4' energy: -190.211 flat angles P-C4'-P energy: -116.558 tors. eta vs tors. theta energy: -259.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2694.339549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.339549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.339549 (E_RNA) where: Base-Base interactions energy: -1855.468 where: short stacking energy: -790.063 Base-Backbone interact. energy: -4.872 local terms energy: -833.999187 where: bonds (distance) C4'-P energy: -154.455 bonds (distance) P-C4' energy: -133.123 flat angles C4'-P-C4' energy: -194.614 flat angles P-C4'-P energy: -108.432 tors. eta vs tors. theta energy: -243.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2494.032041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.032041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.032041 (E_RNA) where: Base-Base interactions energy: -1724.794 where: short stacking energy: -777.081 Base-Backbone interact. energy: -2.213 local terms energy: -767.024952 where: bonds (distance) C4'-P energy: -127.732 bonds (distance) P-C4' energy: -147.065 flat angles C4'-P-C4' energy: -164.498 flat angles P-C4'-P energy: -98.748 tors. eta vs tors. theta energy: -228.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -2327.069669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.069669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.069669 (E_RNA) where: Base-Base interactions energy: -1558.805 where: short stacking energy: -707.549 Base-Backbone interact. energy: -2.828 local terms energy: -765.437176 where: bonds (distance) C4'-P energy: -147.244 bonds (distance) P-C4' energy: -147.026 flat angles C4'-P-C4' energy: -171.073 flat angles P-C4'-P energy: -99.924 tors. eta vs tors. theta energy: -200.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -2123.298520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.298520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.298520 (E_RNA) where: Base-Base interactions energy: -1449.548 where: short stacking energy: -645.631 Base-Backbone interact. energy: -2.950 local terms energy: -670.799832 where: bonds (distance) C4'-P energy: -129.860 bonds (distance) P-C4' energy: -146.966 flat angles C4'-P-C4' energy: -139.250 flat angles P-C4'-P energy: -100.816 tors. eta vs tors. theta energy: -153.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1664.445055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.445055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.445055 (E_RNA) where: Base-Base interactions energy: -1140.795 where: short stacking energy: -492.144 Base-Backbone interact. energy: -1.326 local terms energy: -522.324247 where: bonds (distance) C4'-P energy: -123.958 bonds (distance) P-C4' energy: -130.790 flat angles C4'-P-C4' energy: -131.569 flat angles P-C4'-P energy: -66.778 tors. eta vs tors. theta energy: -69.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1204.632076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.632076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.632076 (E_RNA) where: Base-Base interactions energy: -753.057 where: short stacking energy: -341.263 Base-Backbone interact. energy: -0.141 local terms energy: -451.434365 where: bonds (distance) C4'-P energy: -112.715 bonds (distance) P-C4' energy: -117.698 flat angles C4'-P-C4' energy: -135.488 flat angles P-C4'-P energy: -68.209 tors. eta vs tors. theta energy: -17.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -3083.265144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.265144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.265144 (E_RNA) where: Base-Base interactions energy: -2144.540 where: short stacking energy: -934.846 Base-Backbone interact. energy: 2.632 local terms energy: -941.357169 where: bonds (distance) C4'-P energy: -177.802 bonds (distance) P-C4' energy: -162.112 flat angles C4'-P-C4' energy: -192.911 flat angles P-C4'-P energy: -133.502 tors. eta vs tors. theta energy: -275.029 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: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2945.350057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.350057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.350057 (E_RNA) where: Base-Base interactions energy: -2063.990 where: short stacking energy: -859.712 Base-Backbone interact. energy: -4.923 local terms energy: -876.437263 where: bonds (distance) C4'-P energy: -145.803 bonds (distance) P-C4' energy: -155.886 flat angles C4'-P-C4' energy: -181.317 flat angles P-C4'-P energy: -129.088 tors. eta vs tors. theta energy: -264.343 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: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2898.021062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.021062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.021062 (E_RNA) where: Base-Base interactions energy: -2019.020 where: short stacking energy: -908.120 Base-Backbone interact. energy: -2.529 local terms energy: -876.471262 where: bonds (distance) C4'-P energy: -156.879 bonds (distance) P-C4' energy: -137.686 flat angles C4'-P-C4' energy: -194.850 flat angles P-C4'-P energy: -117.449 tors. eta vs tors. theta energy: -269.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2759.891135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.891135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.891135 (E_RNA) where: Base-Base interactions energy: -1901.960 where: short stacking energy: -828.617 Base-Backbone interact. energy: -4.203 local terms energy: -853.728298 where: bonds (distance) C4'-P energy: -152.971 bonds (distance) P-C4' energy: -148.642 flat angles C4'-P-C4' energy: -184.679 flat angles P-C4'-P energy: -123.957 tors. eta vs tors. theta energy: -243.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2664.265679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.265679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.265679 (E_RNA) where: Base-Base interactions energy: -1843.327 where: short stacking energy: -777.234 Base-Backbone interact. energy: 1.843 local terms energy: -822.781947 where: bonds (distance) C4'-P energy: -147.046 bonds (distance) P-C4' energy: -141.884 flat angles C4'-P-C4' energy: -181.093 flat angles P-C4'-P energy: -120.535 tors. eta vs tors. theta energy: -232.224 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: 1 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2520.655547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.655547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.655547 (E_RNA) where: Base-Base interactions energy: -1727.037 where: short stacking energy: -746.407 Base-Backbone interact. energy: -2.949 local terms energy: -790.670459 where: bonds (distance) C4'-P energy: -134.128 bonds (distance) P-C4' energy: -150.926 flat angles C4'-P-C4' energy: -162.957 flat angles P-C4'-P energy: -116.372 tors. eta vs tors. theta energy: -226.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -2401.324425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.324425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.324425 (E_RNA) where: Base-Base interactions energy: -1640.760 where: short stacking energy: -725.490 Base-Backbone interact. energy: -1.671 local terms energy: -758.893760 where: bonds (distance) C4'-P energy: -136.999 bonds (distance) P-C4' energy: -150.740 flat angles C4'-P-C4' energy: -171.571 flat angles P-C4'-P energy: -94.646 tors. eta vs tors. theta energy: -204.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -2128.643529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.643529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.643529 (E_RNA) where: Base-Base interactions energy: -1462.516 where: short stacking energy: -639.941 Base-Backbone interact. energy: 0.084 local terms energy: -666.211428 where: bonds (distance) C4'-P energy: -139.814 bonds (distance) P-C4' energy: -138.355 flat angles C4'-P-C4' energy: -150.532 flat angles P-C4'-P energy: -97.664 tors. eta vs tors. theta energy: -139.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1532.359226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.359226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.359226 (E_RNA) where: Base-Base interactions energy: -984.210 where: short stacking energy: -468.277 Base-Backbone interact. energy: -3.346 local terms energy: -544.802304 where: bonds (distance) C4'-P energy: -128.309 bonds (distance) P-C4' energy: -133.265 flat angles C4'-P-C4' energy: -130.366 flat angles P-C4'-P energy: -73.561 tors. eta vs tors. theta energy: -79.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1094.202649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.202649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.202649 (E_RNA) where: Base-Base interactions energy: -648.121 where: short stacking energy: -312.170 Base-Backbone interact. energy: -1.446 local terms energy: -444.636174 where: bonds (distance) C4'-P energy: -117.652 bonds (distance) P-C4' energy: -118.304 flat angles C4'-P-C4' energy: -110.614 flat angles P-C4'-P energy: -70.244 tors. eta vs tors. theta energy: -27.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -3127.783324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.783324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.783324 (E_RNA) where: Base-Base interactions energy: -2177.044 where: short stacking energy: -936.714 Base-Backbone interact. energy: -1.127 local terms energy: -949.612126 where: bonds (distance) C4'-P energy: -169.692 bonds (distance) P-C4' energy: -161.478 flat angles C4'-P-C4' energy: -198.291 flat angles P-C4'-P energy: -139.704 tors. eta vs tors. theta energy: -280.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2928.537688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.537688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.537688 (E_RNA) where: Base-Base interactions energy: -2026.748 where: short stacking energy: -885.795 Base-Backbone interact. energy: -2.828 local terms energy: -898.961680 where: bonds (distance) C4'-P energy: -137.821 bonds (distance) P-C4' energy: -164.808 flat angles C4'-P-C4' energy: -197.506 flat angles P-C4'-P energy: -127.884 tors. eta vs tors. theta energy: -270.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2887.196004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.196004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.196004 (E_RNA) where: Base-Base interactions energy: -1990.332 where: short stacking energy: -870.090 Base-Backbone interact. energy: -2.455 local terms energy: -894.408422 where: bonds (distance) C4'-P energy: -163.257 bonds (distance) P-C4' energy: -173.350 flat angles C4'-P-C4' energy: -168.872 flat angles P-C4'-P energy: -132.563 tors. eta vs tors. theta energy: -256.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2748.346787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.346787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.346787 (E_RNA) where: Base-Base interactions energy: -1913.867 where: short stacking energy: -837.134 Base-Backbone interact. energy: -3.917 local terms energy: -830.562303 where: bonds (distance) C4'-P energy: -124.472 bonds (distance) P-C4' energy: -169.866 flat angles C4'-P-C4' energy: -185.182 flat angles P-C4'-P energy: -113.266 tors. eta vs tors. theta energy: -237.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2736.863729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.863729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.863729 (E_RNA) where: Base-Base interactions energy: -1895.684 where: short stacking energy: -841.096 Base-Backbone interact. energy: -2.221 local terms energy: -838.959526 where: bonds (distance) C4'-P energy: -146.744 bonds (distance) P-C4' energy: -143.754 flat angles C4'-P-C4' energy: -181.238 flat angles P-C4'-P energy: -118.225 tors. eta vs tors. theta energy: -248.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2523.910402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.910402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.910402 (E_RNA) where: Base-Base interactions energy: -1745.294 where: short stacking energy: -747.903 Base-Backbone interact. energy: -4.613 local terms energy: -774.003627 where: bonds (distance) C4'-P energy: -141.408 bonds (distance) P-C4' energy: -148.609 flat angles C4'-P-C4' energy: -166.590 flat angles P-C4'-P energy: -92.362 tors. eta vs tors. theta energy: -225.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -2324.443699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.443699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.443699 (E_RNA) where: Base-Base interactions energy: -1600.889 where: short stacking energy: -716.563 Base-Backbone interact. energy: -3.626 local terms energy: -719.928356 where: bonds (distance) C4'-P energy: -137.952 bonds (distance) P-C4' energy: -127.315 flat angles C4'-P-C4' energy: -160.524 flat angles P-C4'-P energy: -102.959 tors. eta vs tors. theta energy: -191.178 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: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -2121.635698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.635698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.635698 (E_RNA) where: Base-Base interactions energy: -1430.956 where: short stacking energy: -650.128 Base-Backbone interact. energy: -3.662 local terms energy: -687.017534 where: bonds (distance) C4'-P energy: -129.287 bonds (distance) P-C4' energy: -120.286 flat angles C4'-P-C4' energy: -158.614 flat angles P-C4'-P energy: -107.251 tors. eta vs tors. theta energy: -171.580 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: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1556.576149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.576149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.576149 (E_RNA) where: Base-Base interactions energy: -975.895 where: short stacking energy: -452.224 Base-Backbone interact. energy: 6.435 local terms energy: -587.116545 where: bonds (distance) C4'-P energy: -117.498 bonds (distance) P-C4' energy: -155.127 flat angles C4'-P-C4' energy: -138.593 flat angles P-C4'-P energy: -90.168 tors. eta vs tors. theta energy: -85.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -992.306024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.306024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.306024 (E_RNA) where: Base-Base interactions energy: -574.843 where: short stacking energy: -286.817 Base-Backbone interact. energy: -0.604 local terms energy: -416.858862 where: bonds (distance) C4'-P energy: -106.928 bonds (distance) P-C4' energy: -130.234 flat angles C4'-P-C4' energy: -120.954 flat angles P-C4'-P energy: -58.772 tors. eta vs tors. theta energy: 0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -3089.455668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.455668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.455668 (E_RNA) where: Base-Base interactions energy: -2152.547 where: short stacking energy: -922.863 Base-Backbone interact. energy: 2.437 local terms energy: -939.346433 where: bonds (distance) C4'-P energy: -168.987 bonds (distance) P-C4' energy: -168.938 flat angles C4'-P-C4' energy: -187.119 flat angles P-C4'-P energy: -132.705 tors. eta vs tors. theta energy: -281.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2974.164476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.164476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.164476 (E_RNA) where: Base-Base interactions energy: -2044.875 where: short stacking energy: -905.092 Base-Backbone interact. energy: -2.786 local terms energy: -926.503227 where: bonds (distance) C4'-P energy: -166.043 bonds (distance) P-C4' energy: -165.963 flat angles C4'-P-C4' energy: -182.253 flat angles P-C4'-P energy: -131.514 tors. eta vs tors. theta energy: -280.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2846.520617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.520617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.520617 (E_RNA) where: Base-Base interactions energy: -1960.186 where: short stacking energy: -848.412 Base-Backbone interact. energy: -3.105 local terms energy: -883.228916 where: bonds (distance) C4'-P energy: -158.623 bonds (distance) P-C4' energy: -164.297 flat angles C4'-P-C4' energy: -169.372 flat angles P-C4'-P energy: -120.014 tors. eta vs tors. theta energy: -270.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2730.938319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.938319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.938319 (E_RNA) where: Base-Base interactions energy: -1918.387 where: short stacking energy: -818.617 Base-Backbone interact. energy: -1.429 local terms energy: -811.122502 where: bonds (distance) C4'-P energy: -133.987 bonds (distance) P-C4' energy: -139.976 flat angles C4'-P-C4' energy: -172.467 flat angles P-C4'-P energy: -125.107 tors. eta vs tors. theta energy: -239.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2633.322256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.322256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.322256 (E_RNA) where: Base-Base interactions energy: -1809.489 where: short stacking energy: -825.936 Base-Backbone interact. energy: -0.836 local terms energy: -822.997479 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -150.205 flat angles C4'-P-C4' energy: -185.073 flat angles P-C4'-P energy: -110.751 tors. eta vs tors. theta energy: -233.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2634.353326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.353326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.353326 (E_RNA) where: Base-Base interactions energy: -1808.890 where: short stacking energy: -798.573 Base-Backbone interact. energy: -3.124 local terms energy: -822.338493 where: bonds (distance) C4'-P energy: -144.489 bonds (distance) P-C4' energy: -135.963 flat angles C4'-P-C4' energy: -185.828 flat angles P-C4'-P energy: -119.891 tors. eta vs tors. theta energy: -236.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -2288.259334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.259334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.259334 (E_RNA) where: Base-Base interactions energy: -1579.007 where: short stacking energy: -678.506 Base-Backbone interact. energy: -1.622 local terms energy: -707.630564 where: bonds (distance) C4'-P energy: -139.683 bonds (distance) P-C4' energy: -161.531 flat angles C4'-P-C4' energy: -141.209 flat angles P-C4'-P energy: -89.520 tors. eta vs tors. theta energy: -175.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -2051.463349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.463349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.463349 (E_RNA) where: Base-Base interactions energy: -1375.322 where: short stacking energy: -603.948 Base-Backbone interact. energy: -2.586 local terms energy: -673.554512 where: bonds (distance) C4'-P energy: -135.213 bonds (distance) P-C4' energy: -135.600 flat angles C4'-P-C4' energy: -153.729 flat angles P-C4'-P energy: -89.199 tors. eta vs tors. theta energy: -159.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1562.722892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.722892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.722892 (E_RNA) where: Base-Base interactions energy: -991.490 where: short stacking energy: -457.583 Base-Backbone interact. energy: -0.451 local terms energy: -570.781844 where: bonds (distance) C4'-P energy: -145.286 bonds (distance) P-C4' energy: -129.532 flat angles C4'-P-C4' energy: -148.893 flat angles P-C4'-P energy: -76.486 tors. eta vs tors. theta energy: -70.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -969.254215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.254215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.254215 (E_RNA) where: Base-Base interactions energy: -475.883 where: short stacking energy: -273.297 Base-Backbone interact. energy: 1.376 local terms energy: -494.746935 where: bonds (distance) C4'-P energy: -125.859 bonds (distance) P-C4' energy: -157.248 flat angles C4'-P-C4' energy: -113.509 flat angles P-C4'-P energy: -76.510 tors. eta vs tors. theta energy: -21.621 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: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -3097.318630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.318630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.318630 (E_RNA) where: Base-Base interactions energy: -2166.327 where: short stacking energy: -948.892 Base-Backbone interact. energy: -1.817 local terms energy: -929.174356 where: bonds (distance) C4'-P energy: -163.511 bonds (distance) P-C4' energy: -168.683 flat angles C4'-P-C4' energy: -189.858 flat angles P-C4'-P energy: -131.976 tors. eta vs tors. theta energy: -275.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2982.090440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.090440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.090440 (E_RNA) where: Base-Base interactions energy: -2053.742 where: short stacking energy: -904.992 Base-Backbone interact. energy: -2.770 local terms energy: -925.578476 where: bonds (distance) C4'-P energy: -177.741 bonds (distance) P-C4' energy: -153.988 flat angles C4'-P-C4' energy: -180.081 flat angles P-C4'-P energy: -131.789 tors. eta vs tors. theta energy: -281.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2885.219994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.219994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.219994 (E_RNA) where: Base-Base interactions energy: -1986.290 where: short stacking energy: -872.978 Base-Backbone interact. energy: 2.145 local terms energy: -901.074238 where: bonds (distance) C4'-P energy: -173.902 bonds (distance) P-C4' energy: -150.646 flat angles C4'-P-C4' energy: -191.874 flat angles P-C4'-P energy: -120.851 tors. eta vs tors. theta energy: -263.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2732.775396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.775396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.775396 (E_RNA) where: Base-Base interactions energy: -1887.525 where: short stacking energy: -835.381 Base-Backbone interact. energy: -4.737 local terms energy: -840.514109 where: bonds (distance) C4'-P energy: -151.346 bonds (distance) P-C4' energy: -163.637 flat angles C4'-P-C4' energy: -170.269 flat angles P-C4'-P energy: -115.797 tors. eta vs tors. theta energy: -239.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2640.254897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.254897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.254897 (E_RNA) where: Base-Base interactions energy: -1805.947 where: short stacking energy: -817.329 Base-Backbone interact. energy: -0.378 local terms energy: -833.930637 where: bonds (distance) C4'-P energy: -139.247 bonds (distance) P-C4' energy: -165.265 flat angles C4'-P-C4' energy: -172.694 flat angles P-C4'-P energy: -112.106 tors. eta vs tors. theta energy: -244.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2614.915747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.915747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.915747 (E_RNA) where: Base-Base interactions energy: -1826.352 where: short stacking energy: -805.918 Base-Backbone interact. energy: -5.356 local terms energy: -783.207809 where: bonds (distance) C4'-P energy: -129.025 bonds (distance) P-C4' energy: -147.980 flat angles C4'-P-C4' energy: -172.454 flat angles P-C4'-P energy: -105.782 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: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -2322.839730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.839730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.839730 (E_RNA) where: Base-Base interactions energy: -1607.788 where: short stacking energy: -730.403 Base-Backbone interact. energy: -1.478 local terms energy: -713.574067 where: bonds (distance) C4'-P energy: -128.256 bonds (distance) P-C4' energy: -138.431 flat angles C4'-P-C4' energy: -161.985 flat angles P-C4'-P energy: -94.551 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: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -2145.819465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.819465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.819465 (E_RNA) where: Base-Base interactions energy: -1474.141 where: short stacking energy: -646.022 Base-Backbone interact. energy: 6.319 local terms energy: -677.997162 where: bonds (distance) C4'-P energy: -136.241 bonds (distance) P-C4' energy: -128.842 flat angles C4'-P-C4' energy: -154.704 flat angles P-C4'-P energy: -88.941 tors. eta vs tors. theta energy: -169.270 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: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1511.857932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.857932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.857932 (E_RNA) where: Base-Base interactions energy: -987.754 where: short stacking energy: -444.660 Base-Backbone interact. energy: 0.492 local terms energy: -524.595976 where: bonds (distance) C4'-P energy: -137.667 bonds (distance) P-C4' energy: -135.398 flat angles C4'-P-C4' energy: -119.476 flat angles P-C4'-P energy: -67.593 tors. eta vs tors. theta energy: -64.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -931.194825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.194825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.194825 (E_RNA) where: Base-Base interactions energy: -474.280 where: short stacking energy: -279.592 Base-Backbone interact. energy: 1.699 local terms energy: -458.614153 where: bonds (distance) C4'-P energy: -135.020 bonds (distance) P-C4' energy: -133.986 flat angles C4'-P-C4' energy: -121.465 flat angles P-C4'-P energy: -67.103 tors. eta vs tors. theta energy: -1.039 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: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -3069.373272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.373272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.373272 (E_RNA) where: Base-Base interactions energy: -2147.790 where: short stacking energy: -889.985 Base-Backbone interact. energy: -3.450 local terms energy: -918.133874 where: bonds (distance) C4'-P energy: -154.263 bonds (distance) P-C4' energy: -173.975 flat angles C4'-P-C4' energy: -184.474 flat angles P-C4'-P energy: -129.924 tors. eta vs tors. theta energy: -275.498 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: 5 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2971.926187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.926187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.926187 (E_RNA) where: Base-Base interactions energy: -2045.025 where: short stacking energy: -909.343 Base-Backbone interact. energy: -1.263 local terms energy: -925.638418 where: bonds (distance) C4'-P energy: -162.881 bonds (distance) P-C4' energy: -165.029 flat angles C4'-P-C4' energy: -192.701 flat angles P-C4'-P energy: -128.346 tors. eta vs tors. theta energy: -276.681 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: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2867.641198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.641198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.641198 (E_RNA) where: Base-Base interactions energy: -1979.268 where: short stacking energy: -889.000 Base-Backbone interact. energy: -1.365 local terms energy: -887.008479 where: bonds (distance) C4'-P energy: -155.228 bonds (distance) P-C4' energy: -146.540 flat angles C4'-P-C4' energy: -191.398 flat angles P-C4'-P energy: -126.769 tors. eta vs tors. theta energy: -267.073 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: 7 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2717.087525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.087525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.087525 (E_RNA) where: Base-Base interactions energy: -1867.010 where: short stacking energy: -799.635 Base-Backbone interact. energy: -0.508 local terms energy: -849.570007 where: bonds (distance) C4'-P energy: -149.544 bonds (distance) P-C4' energy: -159.335 flat angles C4'-P-C4' energy: -185.489 flat angles P-C4'-P energy: -120.098 tors. eta vs tors. theta energy: -235.103 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: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2645.505682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.505682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.505682 (E_RNA) where: Base-Base interactions energy: -1830.368 where: short stacking energy: -839.175 Base-Backbone interact. energy: -1.901 local terms energy: -813.237196 where: bonds (distance) C4'-P energy: -135.619 bonds (distance) P-C4' energy: -153.517 flat angles C4'-P-C4' energy: -175.864 flat angles P-C4'-P energy: -100.675 tors. eta vs tors. theta energy: -247.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2606.604598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.604598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.604598 (E_RNA) where: Base-Base interactions energy: -1841.750 where: short stacking energy: -810.945 Base-Backbone interact. energy: -1.385 local terms energy: -763.469877 where: bonds (distance) C4'-P energy: -108.507 bonds (distance) P-C4' energy: -146.069 flat angles C4'-P-C4' energy: -167.406 flat angles P-C4'-P energy: -107.167 tors. eta vs tors. theta energy: -234.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -2357.675346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.675346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.675346 (E_RNA) where: Base-Base interactions energy: -1611.982 where: short stacking energy: -711.652 Base-Backbone interact. energy: -0.118 local terms energy: -745.574872 where: bonds (distance) C4'-P energy: -127.671 bonds (distance) P-C4' energy: -150.015 flat angles C4'-P-C4' energy: -163.190 flat angles P-C4'-P energy: -103.696 tors. eta vs tors. theta energy: -201.004 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: 6 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -2084.301410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.301410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.301410 (E_RNA) where: Base-Base interactions energy: -1391.543 where: short stacking energy: -625.259 Base-Backbone interact. energy: -2.508 local terms energy: -690.250493 where: bonds (distance) C4'-P energy: -136.651 bonds (distance) P-C4' energy: -159.349 flat angles C4'-P-C4' energy: -134.452 flat angles P-C4'-P energy: -96.716 tors. eta vs tors. theta energy: -163.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1526.525342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.525342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.525342 (E_RNA) where: Base-Base interactions energy: -983.134 where: short stacking energy: -420.034 Base-Backbone interact. energy: -3.363 local terms energy: -540.028236 where: bonds (distance) C4'-P energy: -142.946 bonds (distance) P-C4' energy: -135.321 flat angles C4'-P-C4' energy: -126.822 flat angles P-C4'-P energy: -80.861 tors. eta vs tors. theta energy: -54.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -899.883971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.883971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.883971 (E_RNA) where: Base-Base interactions energy: -452.950 where: short stacking energy: -246.517 Base-Backbone interact. energy: -0.020 local terms energy: -446.914085 where: bonds (distance) C4'-P energy: -116.249 bonds (distance) P-C4' energy: -146.568 flat angles C4'-P-C4' energy: -126.082 flat angles P-C4'-P energy: -62.462 tors. eta vs tors. theta energy: 4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -3101.008966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.008966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.008966 (E_RNA) where: Base-Base interactions energy: -2165.897 where: short stacking energy: -929.633 Base-Backbone interact. energy: -1.861 local terms energy: -933.251364 where: bonds (distance) C4'-P energy: -167.413 bonds (distance) P-C4' energy: -177.666 flat angles C4'-P-C4' energy: -194.813 flat angles P-C4'-P energy: -118.305 tors. eta vs tors. theta energy: -275.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2965.969737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.969737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.969737 (E_RNA) where: Base-Base interactions energy: -2031.207 where: short stacking energy: -902.438 Base-Backbone interact. energy: -0.684 local terms energy: -934.078951 where: bonds (distance) C4'-P energy: -169.340 bonds (distance) P-C4' energy: -169.056 flat angles C4'-P-C4' energy: -183.834 flat angles P-C4'-P energy: -137.749 tors. eta vs tors. theta energy: -274.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2836.147921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.147921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.147921 (E_RNA) where: Base-Base interactions energy: -1938.339 where: short stacking energy: -859.848 Base-Backbone interact. energy: -3.825 local terms energy: -893.984093 where: bonds (distance) C4'-P energy: -145.319 bonds (distance) P-C4' energy: -168.715 flat angles C4'-P-C4' energy: -182.361 flat angles P-C4'-P energy: -125.785 tors. eta vs tors. theta energy: -271.804 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: 7 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2742.802485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.802485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.802485 (E_RNA) where: Base-Base interactions energy: -1907.120 where: short stacking energy: -829.661 Base-Backbone interact. energy: -3.768 local terms energy: -831.914539 where: bonds (distance) C4'-P energy: -157.051 bonds (distance) P-C4' energy: -151.654 flat angles C4'-P-C4' energy: -170.905 flat angles P-C4'-P energy: -96.933 tors. eta vs tors. theta energy: -255.371 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: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2626.787434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.787434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.787434 (E_RNA) where: Base-Base interactions energy: -1812.844 where: short stacking energy: -816.882 Base-Backbone interact. energy: -2.485 local terms energy: -811.457697 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -140.794 flat angles C4'-P-C4' energy: -189.979 flat angles P-C4'-P energy: -110.982 tors. eta vs tors. theta energy: -252.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2578.503087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.503087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.503087 (E_RNA) where: Base-Base interactions energy: -1811.153 where: short stacking energy: -806.166 Base-Backbone interact. energy: 1.718 local terms energy: -769.068036 where: bonds (distance) C4'-P energy: -125.793 bonds (distance) P-C4' energy: -144.015 flat angles C4'-P-C4' energy: -169.970 flat angles P-C4'-P energy: -108.660 tors. eta vs tors. theta energy: -220.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2440.919156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.919156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.919156 (E_RNA) where: Base-Base interactions energy: -1703.475 where: short stacking energy: -723.645 Base-Backbone interact. energy: 1.167 local terms energy: -738.610813 where: bonds (distance) C4'-P energy: -132.362 bonds (distance) P-C4' energy: -149.180 flat angles C4'-P-C4' energy: -148.440 flat angles P-C4'-P energy: -112.640 tors. eta vs tors. theta energy: -195.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -2046.005219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.005219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.005219 (E_RNA) where: Base-Base interactions energy: -1373.093 where: short stacking energy: -628.548 Base-Backbone interact. energy: -0.290 local terms energy: -672.622375 where: bonds (distance) C4'-P energy: -135.647 bonds (distance) P-C4' energy: -130.211 flat angles C4'-P-C4' energy: -145.923 flat angles P-C4'-P energy: -91.205 tors. eta vs tors. theta energy: -169.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1515.178784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.178784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.178784 (E_RNA) where: Base-Base interactions energy: -953.200 where: short stacking energy: -449.656 Base-Backbone interact. energy: 0.747 local terms energy: -562.725154 where: bonds (distance) C4'-P energy: -127.209 bonds (distance) P-C4' energy: -141.987 flat angles C4'-P-C4' energy: -139.573 flat angles P-C4'-P energy: -86.643 tors. eta vs tors. theta energy: -67.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -941.340686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.340686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.340686 (E_RNA) where: Base-Base interactions energy: -492.952 where: short stacking energy: -245.207 Base-Backbone interact. energy: 0.104 local terms energy: -448.492376 where: bonds (distance) C4'-P energy: -129.324 bonds (distance) P-C4' energy: -143.618 flat angles C4'-P-C4' energy: -114.419 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: 16.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -3085.107840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.107840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.107840 (E_RNA) where: Base-Base interactions energy: -2149.219 where: short stacking energy: -907.179 Base-Backbone interact. energy: -3.522 local terms energy: -932.366833 where: bonds (distance) C4'-P energy: -163.136 bonds (distance) P-C4' energy: -189.067 flat angles C4'-P-C4' energy: -194.756 flat angles P-C4'-P energy: -114.592 tors. eta vs tors. theta energy: -270.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2973.687098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.687098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.687098 (E_RNA) where: Base-Base interactions energy: -2056.208 where: short stacking energy: -908.581 Base-Backbone interact. energy: -1.406 local terms energy: -916.073675 where: bonds (distance) C4'-P energy: -164.994 bonds (distance) P-C4' energy: -159.228 flat angles C4'-P-C4' energy: -201.985 flat angles P-C4'-P energy: -125.456 tors. eta vs tors. theta energy: -264.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2842.974421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.974421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.974421 (E_RNA) where: Base-Base interactions energy: -1966.745 where: short stacking energy: -847.604 Base-Backbone interact. energy: -4.095 local terms energy: -872.133782 where: bonds (distance) C4'-P energy: -164.118 bonds (distance) P-C4' energy: -144.265 flat angles C4'-P-C4' energy: -181.755 flat angles P-C4'-P energy: -119.854 tors. eta vs tors. theta energy: -262.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2725.223761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.223761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.223761 (E_RNA) where: Base-Base interactions energy: -1883.256 where: short stacking energy: -815.416 Base-Backbone interact. energy: -6.481 local terms energy: -835.486365 where: bonds (distance) C4'-P energy: -133.253 bonds (distance) P-C4' energy: -154.048 flat angles C4'-P-C4' energy: -192.523 flat angles P-C4'-P energy: -114.786 tors. eta vs tors. theta energy: -240.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2591.672040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.672040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.672040 (E_RNA) where: Base-Base interactions energy: -1777.744 where: short stacking energy: -787.000 Base-Backbone interact. energy: 0.474 local terms energy: -814.401710 where: bonds (distance) C4'-P energy: -147.534 bonds (distance) P-C4' energy: -136.234 flat angles C4'-P-C4' energy: -176.449 flat angles P-C4'-P energy: -129.739 tors. eta vs tors. theta energy: -224.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2593.826168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.826168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.826168 (E_RNA) where: Base-Base interactions energy: -1805.735 where: short stacking energy: -777.054 Base-Backbone interact. energy: -5.544 local terms energy: -782.547176 where: bonds (distance) C4'-P energy: -124.750 bonds (distance) P-C4' energy: -146.488 flat angles C4'-P-C4' energy: -179.357 flat angles P-C4'-P energy: -104.911 tors. eta vs tors. theta energy: -227.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2420.233325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.233325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.233325 (E_RNA) where: Base-Base interactions energy: -1701.104 where: short stacking energy: -744.030 Base-Backbone interact. energy: -2.130 local terms energy: -716.998890 where: bonds (distance) C4'-P energy: -134.126 bonds (distance) P-C4' energy: -142.261 flat angles C4'-P-C4' energy: -155.786 flat angles P-C4'-P energy: -84.145 tors. eta vs tors. theta energy: -200.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1990.371320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.371320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.371320 (E_RNA) where: Base-Base interactions energy: -1302.789 where: short stacking energy: -576.559 Base-Backbone interact. energy: -0.012 local terms energy: -687.570899 where: bonds (distance) C4'-P energy: -118.358 bonds (distance) P-C4' energy: -153.220 flat angles C4'-P-C4' energy: -163.722 flat angles P-C4'-P energy: -86.764 tors. eta vs tors. theta energy: -165.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1541.219578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.219578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.219578 (E_RNA) where: Base-Base interactions energy: -986.995 where: short stacking energy: -473.607 Base-Backbone interact. energy: 4.246 local terms energy: -558.470205 where: bonds (distance) C4'-P energy: -127.956 bonds (distance) P-C4' energy: -132.543 flat angles C4'-P-C4' energy: -131.278 flat angles P-C4'-P energy: -72.643 tors. eta vs tors. theta energy: -94.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -908.017435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.017435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.017435 (E_RNA) where: Base-Base interactions energy: -498.387 where: short stacking energy: -272.704 Base-Backbone interact. energy: 6.380 local terms energy: -416.011188 where: bonds (distance) C4'-P energy: -108.577 bonds (distance) P-C4' energy: -145.671 flat angles C4'-P-C4' energy: -106.543 flat angles P-C4'-P energy: -65.959 tors. eta vs tors. theta energy: 10.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -3091.449627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.449627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.449627 (E_RNA) where: Base-Base interactions energy: -2189.325 where: short stacking energy: -927.115 Base-Backbone interact. energy: -3.971 local terms energy: -898.153167 where: bonds (distance) C4'-P energy: -171.579 bonds (distance) P-C4' energy: -147.909 flat angles C4'-P-C4' energy: -187.994 flat angles P-C4'-P energy: -126.604 tors. eta vs tors. theta energy: -264.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2986.763937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.763937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.763937 (E_RNA) where: Base-Base interactions energy: -2063.617 where: short stacking energy: -913.576 Base-Backbone interact. energy: 1.815 local terms energy: -924.961737 where: bonds (distance) C4'-P energy: -156.987 bonds (distance) P-C4' energy: -165.993 flat angles C4'-P-C4' energy: -202.002 flat angles P-C4'-P energy: -122.654 tors. eta vs tors. theta energy: -277.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2849.105012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.105012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.105012 (E_RNA) where: Base-Base interactions energy: -1929.739 where: short stacking energy: -880.977 Base-Backbone interact. energy: -5.272 local terms energy: -914.093643 where: bonds (distance) C4'-P energy: -152.989 bonds (distance) P-C4' energy: -176.502 flat angles C4'-P-C4' energy: -191.676 flat angles P-C4'-P energy: -129.767 tors. eta vs tors. theta energy: -263.160 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: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2754.728540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.728540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.728540 (E_RNA) where: Base-Base interactions energy: -1890.584 where: short stacking energy: -813.112 Base-Backbone interact. energy: 5.676 local terms energy: -869.820660 where: bonds (distance) C4'-P energy: -161.361 bonds (distance) P-C4' energy: -163.003 flat angles C4'-P-C4' energy: -179.223 flat angles P-C4'-P energy: -136.133 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: 5, replica: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2637.604098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.604098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.604098 (E_RNA) where: Base-Base interactions energy: -1834.124 where: short stacking energy: -838.103 Base-Backbone interact. energy: -1.434 local terms energy: -802.045687 where: bonds (distance) C4'-P energy: -154.907 bonds (distance) P-C4' energy: -139.701 flat angles C4'-P-C4' energy: -169.621 flat angles P-C4'-P energy: -100.059 tors. eta vs tors. theta energy: -237.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2477.771839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.771839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.771839 (E_RNA) where: Base-Base interactions energy: -1697.904 where: short stacking energy: -737.404 Base-Backbone interact. energy: -2.266 local terms energy: -777.602495 where: bonds (distance) C4'-P energy: -153.797 bonds (distance) P-C4' energy: -141.337 flat angles C4'-P-C4' energy: -169.927 flat angles P-C4'-P energy: -91.725 tors. eta vs tors. theta energy: -220.816 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: 117 Temperature: 1.200000 Total energy: -2384.388241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.388241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.388241 (E_RNA) where: Base-Base interactions energy: -1639.085 where: short stacking energy: -742.780 Base-Backbone interact. energy: -0.156 local terms energy: -745.147302 where: bonds (distance) C4'-P energy: -148.771 bonds (distance) P-C4' energy: -131.218 flat angles C4'-P-C4' energy: -153.509 flat angles P-C4'-P energy: -110.965 tors. eta vs tors. theta energy: -200.684 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: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -2061.075086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.075086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.075086 (E_RNA) where: Base-Base interactions energy: -1382.088 where: short stacking energy: -636.079 Base-Backbone interact. energy: -5.499 local terms energy: -673.487894 where: bonds (distance) C4'-P energy: -113.769 bonds (distance) P-C4' energy: -145.048 flat angles C4'-P-C4' energy: -158.076 flat angles P-C4'-P energy: -84.569 tors. eta vs tors. theta energy: -172.026 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: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1526.055315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.055315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.055315 (E_RNA) where: Base-Base interactions energy: -961.363 where: short stacking energy: -416.815 Base-Backbone interact. energy: -2.414 local terms energy: -562.278711 where: bonds (distance) C4'-P energy: -117.769 bonds (distance) P-C4' energy: -140.975 flat angles C4'-P-C4' energy: -151.458 flat angles P-C4'-P energy: -82.250 tors. eta vs tors. theta energy: -69.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -935.494821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.494821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.494821 (E_RNA) where: Base-Base interactions energy: -493.980 where: short stacking energy: -279.290 Base-Backbone interact. energy: 6.528 local terms energy: -448.042955 where: bonds (distance) C4'-P energy: -113.854 bonds (distance) P-C4' energy: -137.027 flat angles C4'-P-C4' energy: -109.963 flat angles P-C4'-P energy: -74.240 tors. eta vs tors. theta energy: -12.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -3088.971137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.971137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.971137 (E_RNA) where: Base-Base interactions energy: -2141.512 where: short stacking energy: -923.522 Base-Backbone interact. energy: -4.072 local terms energy: -943.387458 where: bonds (distance) C4'-P energy: -174.667 bonds (distance) P-C4' energy: -177.584 flat angles C4'-P-C4' energy: -184.111 flat angles P-C4'-P energy: -133.838 tors. eta vs tors. theta energy: -273.188 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: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2959.098005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.098005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.098005 (E_RNA) where: Base-Base interactions energy: -2063.511 where: short stacking energy: -923.108 Base-Backbone interact. energy: -0.485 local terms energy: -895.101106 where: bonds (distance) C4'-P energy: -165.077 bonds (distance) P-C4' energy: -162.596 flat angles C4'-P-C4' energy: -183.830 flat angles P-C4'-P energy: -124.925 tors. eta vs tors. theta energy: -258.672 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: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2829.273137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.273137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.273137 (E_RNA) where: Base-Base interactions energy: -1945.267 where: short stacking energy: -880.735 Base-Backbone interact. energy: -2.655 local terms energy: -881.351553 where: bonds (distance) C4'-P energy: -144.021 bonds (distance) P-C4' energy: -159.589 flat angles C4'-P-C4' energy: -183.636 flat angles P-C4'-P energy: -122.344 tors. eta vs tors. theta energy: -271.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2759.096115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.096115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.096115 (E_RNA) where: Base-Base interactions energy: -1898.859 where: short stacking energy: -838.072 Base-Backbone interact. energy: 2.427 local terms energy: -862.663747 where: bonds (distance) C4'-P energy: -154.856 bonds (distance) P-C4' energy: -160.934 flat angles C4'-P-C4' energy: -186.651 flat angles P-C4'-P energy: -117.589 tors. eta vs tors. theta energy: -242.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2644.394229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.394229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.394229 (E_RNA) where: Base-Base interactions energy: -1807.339 where: short stacking energy: -780.277 Base-Backbone interact. energy: -3.335 local terms energy: -833.719832 where: bonds (distance) C4'-P energy: -135.990 bonds (distance) P-C4' energy: -141.231 flat angles C4'-P-C4' energy: -192.214 flat angles P-C4'-P energy: -127.097 tors. eta vs tors. theta energy: -237.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2487.411854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.411854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.411854 (E_RNA) where: Base-Base interactions energy: -1713.420 where: short stacking energy: -761.298 Base-Backbone interact. energy: -3.650 local terms energy: -770.341349 where: bonds (distance) C4'-P energy: -139.676 bonds (distance) P-C4' energy: -125.563 flat angles C4'-P-C4' energy: -176.549 flat angles P-C4'-P energy: -108.524 tors. eta vs tors. theta energy: -220.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -2393.204388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.204388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.204388 (E_RNA) where: Base-Base interactions energy: -1643.167 where: short stacking energy: -733.499 Base-Backbone interact. energy: -2.273 local terms energy: -747.764395 where: bonds (distance) C4'-P energy: -120.797 bonds (distance) P-C4' energy: -140.312 flat angles C4'-P-C4' energy: -169.209 flat angles P-C4'-P energy: -102.041 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: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1970.998904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.998904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.998904 (E_RNA) where: Base-Base interactions energy: -1296.307 where: short stacking energy: -598.512 Base-Backbone interact. energy: -1.242 local terms energy: -673.450032 where: bonds (distance) C4'-P energy: -129.708 bonds (distance) P-C4' energy: -147.367 flat angles C4'-P-C4' energy: -156.699 flat angles P-C4'-P energy: -103.075 tors. eta vs tors. theta energy: -136.601 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: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1537.212051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.212051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.212051 (E_RNA) where: Base-Base interactions energy: -967.782 where: short stacking energy: -448.915 Base-Backbone interact. energy: 1.192 local terms energy: -570.621338 where: bonds (distance) C4'-P energy: -123.879 bonds (distance) P-C4' energy: -136.303 flat angles C4'-P-C4' energy: -126.365 flat angles P-C4'-P energy: -92.979 tors. eta vs tors. theta energy: -91.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -957.614743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.614743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.614743 (E_RNA) where: Base-Base interactions energy: -481.264 where: short stacking energy: -236.440 Base-Backbone interact. energy: -6.842 local terms energy: -469.509204 where: bonds (distance) C4'-P energy: -122.683 bonds (distance) P-C4' energy: -142.625 flat angles C4'-P-C4' energy: -127.190 flat angles P-C4'-P energy: -80.752 tors. eta vs tors. theta energy: 3.740 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: 1, replica: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -3118.560770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.560770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.560770 (E_RNA) where: Base-Base interactions energy: -2195.053 where: short stacking energy: -955.326 Base-Backbone interact. energy: -0.602 local terms energy: -922.905637 where: bonds (distance) C4'-P energy: -164.820 bonds (distance) P-C4' energy: -160.668 flat angles C4'-P-C4' energy: -197.044 flat angles P-C4'-P energy: -127.295 tors. eta vs tors. theta energy: -273.079 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: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2982.728449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.728449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.728449 (E_RNA) where: Base-Base interactions energy: -2076.485 where: short stacking energy: -915.020 Base-Backbone interact. energy: -1.917 local terms energy: -904.326484 where: bonds (distance) C4'-P energy: -147.307 bonds (distance) P-C4' energy: -172.831 flat angles C4'-P-C4' energy: -195.018 flat angles P-C4'-P energy: -120.458 tors. eta vs tors. theta energy: -268.713 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: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2819.657209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.657209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.657209 (E_RNA) where: Base-Base interactions energy: -1960.670 where: short stacking energy: -869.229 Base-Backbone interact. energy: -1.812 local terms energy: -857.174554 where: bonds (distance) C4'-P energy: -148.940 bonds (distance) P-C4' energy: -151.067 flat angles C4'-P-C4' energy: -169.199 flat angles P-C4'-P energy: -120.931 tors. eta vs tors. theta energy: -267.038 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: 4, replica: 7 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2711.494431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.494431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.494431 (E_RNA) where: Base-Base interactions energy: -1879.089 where: short stacking energy: -806.472 Base-Backbone interact. energy: -4.686 local terms energy: -827.719680 where: bonds (distance) C4'-P energy: -122.479 bonds (distance) P-C4' energy: -161.918 flat angles C4'-P-C4' energy: -184.369 flat angles P-C4'-P energy: -115.988 tors. eta vs tors. theta energy: -242.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2589.763925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.763925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.763925 (E_RNA) where: Base-Base interactions energy: -1763.637 where: short stacking energy: -796.756 Base-Backbone interact. energy: -0.458 local terms energy: -825.668227 where: bonds (distance) C4'-P energy: -156.793 bonds (distance) P-C4' energy: -166.366 flat angles C4'-P-C4' energy: -170.061 flat angles P-C4'-P energy: -104.572 tors. eta vs tors. theta energy: -227.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2587.082873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.082873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.082873 (E_RNA) where: Base-Base interactions energy: -1819.117 where: short stacking energy: -790.428 Base-Backbone interact. energy: -5.102 local terms energy: -762.864566 where: bonds (distance) C4'-P energy: -116.289 bonds (distance) P-C4' energy: -138.438 flat angles C4'-P-C4' energy: -169.983 flat angles P-C4'-P energy: -122.037 tors. eta vs tors. theta energy: -216.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -2340.584899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.584899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.584899 (E_RNA) where: Base-Base interactions energy: -1607.458 where: short stacking energy: -708.960 Base-Backbone interact. energy: 5.130 local terms energy: -738.256295 where: bonds (distance) C4'-P energy: -146.179 bonds (distance) P-C4' energy: -138.908 flat angles C4'-P-C4' energy: -156.276 flat angles P-C4'-P energy: -99.084 tors. eta vs tors. theta energy: -197.809 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: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -2021.077671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.077671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.077671 (E_RNA) where: Base-Base interactions energy: -1394.656 where: short stacking energy: -618.483 Base-Backbone interact. energy: 0.442 local terms energy: -626.862823 where: bonds (distance) C4'-P energy: -112.978 bonds (distance) P-C4' energy: -144.089 flat angles C4'-P-C4' energy: -129.288 flat angles P-C4'-P energy: -88.208 tors. eta vs tors. theta energy: -152.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1528.853207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.853207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.853207 (E_RNA) where: Base-Base interactions energy: -978.458 where: short stacking energy: -460.725 Base-Backbone interact. energy: 0.324 local terms energy: -550.719333 where: bonds (distance) C4'-P energy: -129.096 bonds (distance) P-C4' energy: -138.227 flat angles C4'-P-C4' energy: -128.165 flat angles P-C4'-P energy: -80.203 tors. eta vs tors. theta energy: -75.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -974.695430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.695430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.695430 (E_RNA) where: Base-Base interactions energy: -504.095 where: short stacking energy: -288.768 Base-Backbone interact. energy: 0.677 local terms energy: -471.278184 where: bonds (distance) C4'-P energy: -129.845 bonds (distance) P-C4' energy: -121.051 flat angles C4'-P-C4' energy: -126.916 flat angles P-C4'-P energy: -74.092 tors. eta vs tors. theta energy: -19.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -3099.958162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.958162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.958162 (E_RNA) where: Base-Base interactions energy: -2182.001 where: short stacking energy: -919.942 Base-Backbone interact. energy: -2.738 local terms energy: -915.218557 where: bonds (distance) C4'-P energy: -148.712 bonds (distance) P-C4' energy: -175.512 flat angles C4'-P-C4' energy: -199.426 flat angles P-C4'-P energy: -128.012 tors. eta vs tors. theta energy: -263.556 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: 5 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2985.821652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.821652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.821652 (E_RNA) where: Base-Base interactions energy: -2043.711 where: short stacking energy: -911.001 Base-Backbone interact. energy: -1.895 local terms energy: -940.214981 where: bonds (distance) C4'-P energy: -162.734 bonds (distance) P-C4' energy: -169.375 flat angles C4'-P-C4' energy: -196.602 flat angles P-C4'-P energy: -135.249 tors. eta vs tors. theta energy: -276.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2806.942560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.942560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.942560 (E_RNA) where: Base-Base interactions energy: -1917.264 where: short stacking energy: -875.059 Base-Backbone interact. energy: -5.693 local terms energy: -883.985187 where: bonds (distance) C4'-P energy: -153.152 bonds (distance) P-C4' energy: -157.394 flat angles C4'-P-C4' energy: -183.573 flat angles P-C4'-P energy: -128.488 tors. eta vs tors. theta energy: -261.378 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: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2749.050453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.050453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.050453 (E_RNA) where: Base-Base interactions energy: -1910.064 where: short stacking energy: -812.450 Base-Backbone interact. energy: -6.178 local terms energy: -832.807784 where: bonds (distance) C4'-P energy: -144.123 bonds (distance) P-C4' energy: -150.583 flat angles C4'-P-C4' energy: -178.840 flat angles P-C4'-P energy: -117.256 tors. eta vs tors. theta energy: -242.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2597.406697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.406697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.406697 (E_RNA) where: Base-Base interactions energy: -1754.744 where: short stacking energy: -793.418 Base-Backbone interact. energy: -4.279 local terms energy: -838.384251 where: bonds (distance) C4'-P energy: -158.593 bonds (distance) P-C4' energy: -148.483 flat angles C4'-P-C4' energy: -173.936 flat angles P-C4'-P energy: -116.996 tors. eta vs tors. theta energy: -240.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2594.345768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.345768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.345768 (E_RNA) where: Base-Base interactions energy: -1797.692 where: short stacking energy: -817.582 Base-Backbone interact. energy: -0.502 local terms energy: -796.151665 where: bonds (distance) C4'-P energy: -128.781 bonds (distance) P-C4' energy: -138.363 flat angles C4'-P-C4' energy: -167.368 flat angles P-C4'-P energy: -123.200 tors. eta vs tors. theta energy: -238.441 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: 7, replica: 8 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -2356.361778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.361778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.361778 (E_RNA) where: Base-Base interactions energy: -1623.311 where: short stacking energy: -733.098 Base-Backbone interact. energy: -0.051 local terms energy: -733.000178 where: bonds (distance) C4'-P energy: -129.745 bonds (distance) P-C4' energy: -127.978 flat angles C4'-P-C4' energy: -166.516 flat angles P-C4'-P energy: -111.720 tors. eta vs tors. theta energy: -197.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -2025.004627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.004627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.004627 (E_RNA) where: Base-Base interactions energy: -1362.575 where: short stacking energy: -609.849 Base-Backbone interact. energy: -2.884 local terms energy: -659.545356 where: bonds (distance) C4'-P energy: -136.999 bonds (distance) P-C4' energy: -125.245 flat angles C4'-P-C4' energy: -151.849 flat angles P-C4'-P energy: -90.541 tors. eta vs tors. theta energy: -154.912 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: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1543.426222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.426222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.426222 (E_RNA) where: Base-Base interactions energy: -963.096 where: short stacking energy: -440.073 Base-Backbone interact. energy: -1.703 local terms energy: -578.627130 where: bonds (distance) C4'-P energy: -136.891 bonds (distance) P-C4' energy: -142.204 flat angles C4'-P-C4' energy: -143.724 flat angles P-C4'-P energy: -87.893 tors. eta vs tors. theta energy: -67.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -932.722633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.722633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.722633 (E_RNA) where: Base-Base interactions energy: -476.744 where: short stacking energy: -265.175 Base-Backbone interact. energy: -0.639 local terms energy: -455.339685 where: bonds (distance) C4'-P energy: -113.855 bonds (distance) P-C4' energy: -127.759 flat angles C4'-P-C4' energy: -135.418 flat angles P-C4'-P energy: -50.217 tors. eta vs tors. theta energy: -28.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -3113.327787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.327787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.327787 (E_RNA) where: Base-Base interactions energy: -2189.598 where: short stacking energy: -922.560 Base-Backbone interact. energy: -7.047 local terms energy: -916.682915 where: bonds (distance) C4'-P energy: -166.177 bonds (distance) P-C4' energy: -157.773 flat angles C4'-P-C4' energy: -191.106 flat angles P-C4'-P energy: -134.120 tors. eta vs tors. theta energy: -267.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -3025.646242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.646242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.646242 (E_RNA) where: Base-Base interactions energy: -2096.052 where: short stacking energy: -944.651 Base-Backbone interact. energy: -3.188 local terms energy: -926.406159 where: bonds (distance) C4'-P energy: -165.321 bonds (distance) P-C4' energy: -159.265 flat angles C4'-P-C4' energy: -195.849 flat angles P-C4'-P energy: -115.741 tors. eta vs tors. theta energy: -290.231 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: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2809.766655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.766655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.766655 (E_RNA) where: Base-Base interactions energy: -1938.813 where: short stacking energy: -873.735 Base-Backbone interact. energy: -0.236 local terms energy: -870.718054 where: bonds (distance) C4'-P energy: -164.855 bonds (distance) P-C4' energy: -145.571 flat angles C4'-P-C4' energy: -181.429 flat angles P-C4'-P energy: -119.587 tors. eta vs tors. theta energy: -259.277 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: 121 Temperature: 1.050000 Total energy: -2780.379584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.379584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.379584 (E_RNA) where: Base-Base interactions energy: -1941.389 where: short stacking energy: -857.628 Base-Backbone interact. energy: 1.385 local terms energy: -840.375353 where: bonds (distance) C4'-P energy: -153.284 bonds (distance) P-C4' energy: -121.804 flat angles C4'-P-C4' energy: -188.114 flat angles P-C4'-P energy: -118.829 tors. eta vs tors. theta energy: -258.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2641.637630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.637630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.637630 (E_RNA) where: Base-Base interactions energy: -1830.773 where: short stacking energy: -821.443 Base-Backbone interact. energy: -3.304 local terms energy: -807.561444 where: bonds (distance) C4'-P energy: -146.752 bonds (distance) P-C4' energy: -134.086 flat angles C4'-P-C4' energy: -171.847 flat angles P-C4'-P energy: -115.793 tors. eta vs tors. theta energy: -239.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2541.429970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.429970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.429970 (E_RNA) where: Base-Base interactions energy: -1757.681 where: short stacking energy: -773.541 Base-Backbone interact. energy: -2.977 local terms energy: -780.771430 where: bonds (distance) C4'-P energy: -136.565 bonds (distance) P-C4' energy: -153.218 flat angles C4'-P-C4' energy: -160.921 flat angles P-C4'-P energy: -101.870 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: 7, replica: 8 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -2307.675358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.675358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.675358 (E_RNA) where: Base-Base interactions energy: -1607.230 where: short stacking energy: -715.895 Base-Backbone interact. energy: -2.130 local terms energy: -698.315723 where: bonds (distance) C4'-P energy: -148.519 bonds (distance) P-C4' energy: -126.460 flat angles C4'-P-C4' energy: -155.612 flat angles P-C4'-P energy: -81.912 tors. eta vs tors. theta energy: -185.812 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: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -2015.999179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.999179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.999179 (E_RNA) where: Base-Base interactions energy: -1359.262 where: short stacking energy: -593.681 Base-Backbone interact. energy: 0.721 local terms energy: -657.458219 where: bonds (distance) C4'-P energy: -133.549 bonds (distance) P-C4' energy: -132.488 flat angles C4'-P-C4' energy: -161.245 flat angles P-C4'-P energy: -81.257 tors. eta vs tors. theta energy: -148.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1569.666133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.666133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.666133 (E_RNA) where: Base-Base interactions energy: -997.254 where: short stacking energy: -460.292 Base-Backbone interact. energy: -1.738 local terms energy: -570.673987 where: bonds (distance) C4'-P energy: -134.301 bonds (distance) P-C4' energy: -163.415 flat angles C4'-P-C4' energy: -134.603 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -71.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -894.719233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.719233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.719233 (E_RNA) where: Base-Base interactions energy: -477.005 where: short stacking energy: -267.884 Base-Backbone interact. energy: -1.017 local terms energy: -416.697414 where: bonds (distance) C4'-P energy: -129.069 bonds (distance) P-C4' energy: -127.811 flat angles C4'-P-C4' energy: -127.391 flat angles P-C4'-P energy: -31.046 tors. eta vs tors. theta energy: -1.381 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: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -3108.876678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.876678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.876678 (E_RNA) where: Base-Base interactions energy: -2189.267 where: short stacking energy: -912.454 Base-Backbone interact. energy: -2.474 local terms energy: -917.135139 where: bonds (distance) C4'-P energy: -164.238 bonds (distance) P-C4' energy: -158.682 flat angles C4'-P-C4' energy: -194.795 flat angles P-C4'-P energy: -140.112 tors. eta vs tors. theta energy: -259.308 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: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -3046.204425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.204425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.204425 (E_RNA) where: Base-Base interactions energy: -2085.294 where: short stacking energy: -969.799 Base-Backbone interact. energy: -6.478 local terms energy: -954.431508 where: bonds (distance) C4'-P energy: -155.170 bonds (distance) P-C4' energy: -174.274 flat angles C4'-P-C4' energy: -198.469 flat angles P-C4'-P energy: -137.662 tors. eta vs tors. theta energy: -288.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2841.508449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.508449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.508449 (E_RNA) where: Base-Base interactions energy: -1985.142 where: short stacking energy: -881.157 Base-Backbone interact. energy: -1.818 local terms energy: -854.548117 where: bonds (distance) C4'-P energy: -153.401 bonds (distance) P-C4' energy: -157.882 flat angles C4'-P-C4' energy: -176.505 flat angles P-C4'-P energy: -108.327 tors. eta vs tors. theta energy: -258.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2779.730864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.730864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.730864 (E_RNA) where: Base-Base interactions energy: -1929.867 where: short stacking energy: -831.971 Base-Backbone interact. energy: -5.893 local terms energy: -843.971458 where: bonds (distance) C4'-P energy: -143.368 bonds (distance) P-C4' energy: -154.095 flat angles C4'-P-C4' energy: -181.610 flat angles P-C4'-P energy: -116.659 tors. eta vs tors. theta energy: -248.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2643.784110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.784110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.784110 (E_RNA) where: Base-Base interactions energy: -1822.448 where: short stacking energy: -783.278 Base-Backbone interact. energy: 0.045 local terms energy: -821.380755 where: bonds (distance) C4'-P energy: -145.403 bonds (distance) P-C4' energy: -173.609 flat angles C4'-P-C4' energy: -168.255 flat angles P-C4'-P energy: -107.628 tors. eta vs tors. theta energy: -226.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2585.441248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.441248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.441248 (E_RNA) where: Base-Base interactions energy: -1775.672 where: short stacking energy: -780.833 Base-Backbone interact. energy: -3.803 local terms energy: -805.966406 where: bonds (distance) C4'-P energy: -126.497 bonds (distance) P-C4' energy: -159.862 flat angles C4'-P-C4' energy: -170.784 flat angles P-C4'-P energy: -119.316 tors. eta vs tors. theta energy: -229.507 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: 7, replica: 8 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -2302.500429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.500429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.500429 (E_RNA) where: Base-Base interactions energy: -1589.043 where: short stacking energy: -712.882 Base-Backbone interact. energy: -0.627 local terms energy: -712.830648 where: bonds (distance) C4'-P energy: -138.502 bonds (distance) P-C4' energy: -145.078 flat angles C4'-P-C4' energy: -143.621 flat angles P-C4'-P energy: -89.186 tors. eta vs tors. theta energy: -196.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -2035.411644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.411644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.411644 (E_RNA) where: Base-Base interactions energy: -1349.796 where: short stacking energy: -630.091 Base-Backbone interact. energy: -2.788 local terms energy: -682.827129 where: bonds (distance) C4'-P energy: -127.522 bonds (distance) P-C4' energy: -143.100 flat angles C4'-P-C4' energy: -155.465 flat angles P-C4'-P energy: -112.350 tors. eta vs tors. theta energy: -144.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1640.483608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.483608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.483608 (E_RNA) where: Base-Base interactions energy: -1031.827 where: short stacking energy: -450.841 Base-Backbone interact. energy: -1.611 local terms energy: -607.045190 where: bonds (distance) C4'-P energy: -143.387 bonds (distance) P-C4' energy: -141.165 flat angles C4'-P-C4' energy: -133.815 flat angles P-C4'-P energy: -114.597 tors. eta vs tors. theta energy: -74.081 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: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -923.143322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.143322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.143322 (E_RNA) where: Base-Base interactions energy: -460.343 where: short stacking energy: -284.831 Base-Backbone interact. energy: 4.839 local terms energy: -467.639732 where: bonds (distance) C4'-P energy: -117.537 bonds (distance) P-C4' energy: -125.217 flat angles C4'-P-C4' energy: -137.733 flat angles P-C4'-P energy: -88.443 tors. eta vs tors. theta energy: 1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -3125.832685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.832685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.832685 (E_RNA) where: Base-Base interactions energy: -2190.127 where: short stacking energy: -931.727 Base-Backbone interact. energy: 1.642 local terms energy: -937.347434 where: bonds (distance) C4'-P energy: -161.032 bonds (distance) P-C4' energy: -181.107 flat angles C4'-P-C4' energy: -199.887 flat angles P-C4'-P energy: -128.024 tors. eta vs tors. theta energy: -267.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -3009.976333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.976333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.976333 (E_RNA) where: Base-Base interactions energy: -2103.510 where: short stacking energy: -943.677 Base-Backbone interact. energy: -1.344 local terms energy: -905.122256 where: bonds (distance) C4'-P energy: -136.646 bonds (distance) P-C4' energy: -164.982 flat angles C4'-P-C4' energy: -194.344 flat angles P-C4'-P energy: -121.915 tors. eta vs tors. theta energy: -287.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2836.288559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.288559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.288559 (E_RNA) where: Base-Base interactions energy: -1939.297 where: short stacking energy: -842.742 Base-Backbone interact. energy: -2.798 local terms energy: -894.194383 where: bonds (distance) C4'-P energy: -155.203 bonds (distance) P-C4' energy: -176.188 flat angles C4'-P-C4' energy: -177.243 flat angles P-C4'-P energy: -129.975 tors. eta vs tors. theta energy: -255.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2787.087015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.087015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.087015 (E_RNA) where: Base-Base interactions energy: -1932.884 where: short stacking energy: -856.173 Base-Backbone interact. energy: -2.945 local terms energy: -851.257959 where: bonds (distance) C4'-P energy: -144.410 bonds (distance) P-C4' energy: -164.725 flat angles C4'-P-C4' energy: -171.340 flat angles P-C4'-P energy: -118.731 tors. eta vs tors. theta energy: -252.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2653.004309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.004309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.004309 (E_RNA) where: Base-Base interactions energy: -1826.938 where: short stacking energy: -823.829 Base-Backbone interact. energy: -1.162 local terms energy: -824.904815 where: bonds (distance) C4'-P energy: -148.505 bonds (distance) P-C4' energy: -148.537 flat angles C4'-P-C4' energy: -184.574 flat angles P-C4'-P energy: -105.170 tors. eta vs tors. theta energy: -238.119 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: 123 Temperature: 1.150000 Total energy: -2560.328719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.328719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.328719 (E_RNA) where: Base-Base interactions energy: -1781.192 where: short stacking energy: -750.443 Base-Backbone interact. energy: -3.641 local terms energy: -775.496212 where: bonds (distance) C4'-P energy: -142.784 bonds (distance) P-C4' energy: -148.743 flat angles C4'-P-C4' energy: -155.386 flat angles P-C4'-P energy: -116.649 tors. eta vs tors. theta energy: -211.934 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: 8 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -2267.050403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.050403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.050403 (E_RNA) where: Base-Base interactions energy: -1579.458 where: short stacking energy: -664.441 Base-Backbone interact. energy: 0.298 local terms energy: -687.890498 where: bonds (distance) C4'-P energy: -138.441 bonds (distance) P-C4' energy: -141.050 flat angles C4'-P-C4' energy: -148.786 flat angles P-C4'-P energy: -93.168 tors. eta vs tors. theta energy: -166.446 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: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1996.478205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.478205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.478205 (E_RNA) where: Base-Base interactions energy: -1352.377 where: short stacking energy: -603.492 Base-Backbone interact. energy: -3.914 local terms energy: -640.187633 where: bonds (distance) C4'-P energy: -128.677 bonds (distance) P-C4' energy: -121.214 flat angles C4'-P-C4' energy: -136.722 flat angles P-C4'-P energy: -91.645 tors. eta vs tors. theta energy: -161.930 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: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1570.979419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.979419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.979419 (E_RNA) where: Base-Base interactions energy: -1015.467 where: short stacking energy: -449.518 Base-Backbone interact. energy: 1.417 local terms energy: -556.929766 where: bonds (distance) C4'-P energy: -130.478 bonds (distance) P-C4' energy: -128.781 flat angles C4'-P-C4' energy: -135.011 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -80.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -899.056943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.056943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.056943 (E_RNA) where: Base-Base interactions energy: -422.780 where: short stacking energy: -277.112 Base-Backbone interact. energy: -1.250 local terms energy: -475.026794 where: bonds (distance) C4'-P energy: -129.279 bonds (distance) P-C4' energy: -145.578 flat angles C4'-P-C4' energy: -116.240 flat angles P-C4'-P energy: -67.768 tors. eta vs tors. theta energy: -16.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -3088.598186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.598186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.598186 (E_RNA) where: Base-Base interactions energy: -2190.963 where: short stacking energy: -939.979 Base-Backbone interact. energy: -2.954 local terms energy: -894.681095 where: bonds (distance) C4'-P energy: -149.991 bonds (distance) P-C4' energy: -168.055 flat angles C4'-P-C4' energy: -187.267 flat angles P-C4'-P energy: -116.138 tors. eta vs tors. theta energy: -273.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -3005.587750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.587750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.587750 (E_RNA) where: Base-Base interactions energy: -2088.198 where: short stacking energy: -915.956 Base-Backbone interact. energy: -1.357 local terms energy: -916.032469 where: bonds (distance) C4'-P energy: -161.513 bonds (distance) P-C4' energy: -153.611 flat angles C4'-P-C4' energy: -188.845 flat angles P-C4'-P energy: -133.727 tors. eta vs tors. theta energy: -278.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2839.307725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.307725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.307725 (E_RNA) where: Base-Base interactions energy: -1961.024 where: short stacking energy: -887.550 Base-Backbone interact. energy: -4.823 local terms energy: -873.460596 where: bonds (distance) C4'-P energy: -161.798 bonds (distance) P-C4' energy: -166.358 flat angles C4'-P-C4' energy: -178.030 flat angles P-C4'-P energy: -105.863 tors. eta vs tors. theta energy: -261.410 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: 124 Temperature: 1.050000 Total energy: -2805.753165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.753165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.753165 (E_RNA) where: Base-Base interactions energy: -1949.827 where: short stacking energy: -863.240 Base-Backbone interact. energy: -2.371 local terms energy: -853.555347 where: bonds (distance) C4'-P energy: -133.691 bonds (distance) P-C4' energy: -171.497 flat angles C4'-P-C4' energy: -179.269 flat angles P-C4'-P energy: -109.800 tors. eta vs tors. theta energy: -259.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2653.520857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.520857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.520857 (E_RNA) where: Base-Base interactions energy: -1832.369 where: short stacking energy: -835.447 Base-Backbone interact. energy: -1.230 local terms energy: -819.922581 where: bonds (distance) C4'-P energy: -141.922 bonds (distance) P-C4' energy: -147.693 flat angles C4'-P-C4' energy: -177.473 flat angles P-C4'-P energy: -112.787 tors. eta vs tors. theta energy: -240.047 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: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2509.220332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.220332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.220332 (E_RNA) where: Base-Base interactions energy: -1745.094 where: short stacking energy: -775.885 Base-Backbone interact. energy: 1.461 local terms energy: -765.587453 where: bonds (distance) C4'-P energy: -120.844 bonds (distance) P-C4' energy: -149.084 flat angles C4'-P-C4' energy: -174.046 flat angles P-C4'-P energy: -97.466 tors. eta vs tors. theta energy: -224.148 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: 8 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -2273.611085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.611085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.611085 (E_RNA) where: Base-Base interactions energy: -1533.820 where: short stacking energy: -688.489 Base-Backbone interact. energy: 0.729 local terms energy: -740.519639 where: bonds (distance) C4'-P energy: -122.175 bonds (distance) P-C4' energy: -156.596 flat angles C4'-P-C4' energy: -163.683 flat angles P-C4'-P energy: -99.236 tors. eta vs tors. theta energy: -198.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -2027.857645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.857645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.857645 (E_RNA) where: Base-Base interactions energy: -1376.089 where: short stacking energy: -637.352 Base-Backbone interact. energy: -3.831 local terms energy: -647.938130 where: bonds (distance) C4'-P energy: -119.649 bonds (distance) P-C4' energy: -130.363 flat angles C4'-P-C4' energy: -147.315 flat angles P-C4'-P energy: -91.053 tors. eta vs tors. theta energy: -159.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1481.995108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.995108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.995108 (E_RNA) where: Base-Base interactions energy: -925.690 where: short stacking energy: -423.997 Base-Backbone interact. energy: 0.691 local terms energy: -556.996119 where: bonds (distance) C4'-P energy: -143.526 bonds (distance) P-C4' energy: -134.550 flat angles C4'-P-C4' energy: -137.338 flat angles P-C4'-P energy: -73.145 tors. eta vs tors. theta energy: -68.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -944.509457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.509457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.509457 (E_RNA) where: Base-Base interactions energy: -476.827 where: short stacking energy: -284.167 Base-Backbone interact. energy: -0.698 local terms energy: -466.984482 where: bonds (distance) C4'-P energy: -130.295 bonds (distance) P-C4' energy: -147.219 flat angles C4'-P-C4' energy: -88.461 flat angles P-C4'-P energy: -82.391 tors. eta vs tors. theta energy: -18.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -3118.864243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.864243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.864243 (E_RNA) where: Base-Base interactions energy: -2180.166 where: short stacking energy: -927.766 Base-Backbone interact. energy: -5.095 local terms energy: -933.603155 where: bonds (distance) C4'-P energy: -171.815 bonds (distance) P-C4' energy: -164.383 flat angles C4'-P-C4' energy: -200.489 flat angles P-C4'-P energy: -132.808 tors. eta vs tors. theta energy: -264.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2973.748113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.748113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.748113 (E_RNA) where: Base-Base interactions energy: -2071.650 where: short stacking energy: -919.998 Base-Backbone interact. energy: -3.528 local terms energy: -898.570961 where: bonds (distance) C4'-P energy: -143.746 bonds (distance) P-C4' energy: -153.856 flat angles C4'-P-C4' energy: -196.254 flat angles P-C4'-P energy: -127.397 tors. eta vs tors. theta energy: -277.319 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: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2804.167746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.167746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.167746 (E_RNA) where: Base-Base interactions energy: -1921.513 where: short stacking energy: -877.077 Base-Backbone interact. energy: -5.030 local terms energy: -877.625441 where: bonds (distance) C4'-P energy: -140.378 bonds (distance) P-C4' energy: -157.021 flat angles C4'-P-C4' energy: -189.738 flat angles P-C4'-P energy: -126.271 tors. eta vs tors. theta energy: -264.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2778.216018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.216018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.216018 (E_RNA) where: Base-Base interactions energy: -1933.718 where: short stacking energy: -828.433 Base-Backbone interact. energy: -1.407 local terms energy: -843.091333 where: bonds (distance) C4'-P energy: -147.372 bonds (distance) P-C4' energy: -136.255 flat angles C4'-P-C4' energy: -186.855 flat angles P-C4'-P energy: -116.553 tors. eta vs tors. theta energy: -256.056 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: 1 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2698.237297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.237297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.237297 (E_RNA) where: Base-Base interactions energy: -1852.340 where: short stacking energy: -814.904 Base-Backbone interact. energy: -3.433 local terms energy: -842.464869 where: bonds (distance) C4'-P energy: -136.862 bonds (distance) P-C4' energy: -160.748 flat angles C4'-P-C4' energy: -174.581 flat angles P-C4'-P energy: -120.877 tors. eta vs tors. theta energy: -249.398 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: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2566.898402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.898402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.898402 (E_RNA) where: Base-Base interactions energy: -1786.444 where: short stacking energy: -807.220 Base-Backbone interact. energy: -0.822 local terms energy: -779.632498 where: bonds (distance) C4'-P energy: -143.181 bonds (distance) P-C4' energy: -152.732 flat angles C4'-P-C4' energy: -174.865 flat angles P-C4'-P energy: -85.972 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: 7, replica: 8 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -2308.560340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.560340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.560340 (E_RNA) where: Base-Base interactions energy: -1628.738 where: short stacking energy: -699.165 Base-Backbone interact. energy: -2.496 local terms energy: -677.326177 where: bonds (distance) C4'-P energy: -114.074 bonds (distance) P-C4' energy: -126.562 flat angles C4'-P-C4' energy: -145.916 flat angles P-C4'-P energy: -100.350 tors. eta vs tors. theta energy: -190.424 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: 8, replica: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -2086.962451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.962451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.962451 (E_RNA) where: Base-Base interactions energy: -1404.671 where: short stacking energy: -623.538 Base-Backbone interact. energy: 8.413 local terms energy: -690.703738 where: bonds (distance) C4'-P energy: -129.008 bonds (distance) P-C4' energy: -152.301 flat angles C4'-P-C4' energy: -152.076 flat angles P-C4'-P energy: -91.966 tors. eta vs tors. theta energy: -165.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1476.929619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.929619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.929619 (E_RNA) where: Base-Base interactions energy: -970.460 where: short stacking energy: -449.205 Base-Backbone interact. energy: 1.382 local terms energy: -507.852228 where: bonds (distance) C4'-P energy: -131.606 bonds (distance) P-C4' energy: -129.236 flat angles C4'-P-C4' energy: -120.493 flat angles P-C4'-P energy: -70.850 tors. eta vs tors. theta energy: -55.667 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: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -971.036471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.036471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.036471 (E_RNA) where: Base-Base interactions energy: -544.721 where: short stacking energy: -317.965 Base-Backbone interact. energy: -0.021 local terms energy: -426.294785 where: bonds (distance) C4'-P energy: -141.129 bonds (distance) P-C4' energy: -120.314 flat angles C4'-P-C4' energy: -84.094 flat angles P-C4'-P energy: -70.503 tors. eta vs tors. theta energy: -10.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -3148.976377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.976377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.976377 (E_RNA) where: Base-Base interactions energy: -2228.739 where: short stacking energy: -936.119 Base-Backbone interact. energy: -2.562 local terms energy: -917.675155 where: bonds (distance) C4'-P energy: -177.366 bonds (distance) P-C4' energy: -148.920 flat angles C4'-P-C4' energy: -191.395 flat angles P-C4'-P energy: -131.115 tors. eta vs tors. theta energy: -268.879 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: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2981.026540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.026540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.026540 (E_RNA) where: Base-Base interactions energy: -2062.503 where: short stacking energy: -923.421 Base-Backbone interact. energy: -1.324 local terms energy: -917.198752 where: bonds (distance) C4'-P energy: -161.604 bonds (distance) P-C4' energy: -168.531 flat angles C4'-P-C4' energy: -185.671 flat angles P-C4'-P energy: -128.879 tors. eta vs tors. theta energy: -272.513 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: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2811.725510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.725510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.725510 (E_RNA) where: Base-Base interactions energy: -1944.338 where: short stacking energy: -829.451 Base-Backbone interact. energy: -7.228 local terms energy: -860.159053 where: bonds (distance) C4'-P energy: -167.778 bonds (distance) P-C4' energy: -142.059 flat angles C4'-P-C4' energy: -172.258 flat angles P-C4'-P energy: -134.321 tors. eta vs tors. theta energy: -243.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2783.698075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.698075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.698075 (E_RNA) where: Base-Base interactions energy: -1953.588 where: short stacking energy: -853.894 Base-Backbone interact. energy: -1.158 local terms energy: -828.951510 where: bonds (distance) C4'-P energy: -151.246 bonds (distance) P-C4' energy: -137.514 flat angles C4'-P-C4' energy: -163.272 flat angles P-C4'-P energy: -122.080 tors. eta vs tors. theta energy: -254.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2693.953114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.953114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.953114 (E_RNA) where: Base-Base interactions energy: -1879.496 where: short stacking energy: -823.056 Base-Backbone interact. energy: -1.763 local terms energy: -812.693975 where: bonds (distance) C4'-P energy: -129.371 bonds (distance) P-C4' energy: -142.713 flat angles C4'-P-C4' energy: -181.500 flat angles P-C4'-P energy: -121.971 tors. eta vs tors. theta energy: -237.139 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: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2584.009862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.009862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.009862 (E_RNA) where: Base-Base interactions energy: -1799.382 where: short stacking energy: -799.485 Base-Backbone interact. energy: -3.762 local terms energy: -780.866115 where: bonds (distance) C4'-P energy: -125.397 bonds (distance) P-C4' energy: -128.409 flat angles C4'-P-C4' energy: -182.890 flat angles P-C4'-P energy: -95.047 tors. eta vs tors. theta energy: -249.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -2316.175529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.175529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.175529 (E_RNA) where: Base-Base interactions energy: -1614.950 where: short stacking energy: -725.417 Base-Backbone interact. energy: -4.617 local terms energy: -696.608092 where: bonds (distance) C4'-P energy: -130.019 bonds (distance) P-C4' energy: -119.474 flat angles C4'-P-C4' energy: -165.806 flat angles P-C4'-P energy: -81.725 tors. eta vs tors. theta energy: -199.584 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: 6 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -2042.149757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.149757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.149757 (E_RNA) where: Base-Base interactions energy: -1364.043 where: short stacking energy: -588.688 Base-Backbone interact. energy: -3.059 local terms energy: -675.047086 where: bonds (distance) C4'-P energy: -141.683 bonds (distance) P-C4' energy: -134.087 flat angles C4'-P-C4' energy: -157.141 flat angles P-C4'-P energy: -97.898 tors. eta vs tors. theta energy: -144.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1497.741697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.741697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.741697 (E_RNA) where: Base-Base interactions energy: -946.930 where: short stacking energy: -435.298 Base-Backbone interact. energy: 0.356 local terms energy: -551.168064 where: bonds (distance) C4'-P energy: -117.934 bonds (distance) P-C4' energy: -126.771 flat angles C4'-P-C4' energy: -143.811 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -75.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -954.470362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.470362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.470362 (E_RNA) where: Base-Base interactions energy: -513.188 where: short stacking energy: -293.433 Base-Backbone interact. energy: 6.968 local terms energy: -448.251102 where: bonds (distance) C4'-P energy: -131.443 bonds (distance) P-C4' energy: -129.214 flat angles C4'-P-C4' energy: -119.317 flat angles P-C4'-P energy: -47.534 tors. eta vs tors. theta energy: -20.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -3124.061088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.061088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.061088 (E_RNA) where: Base-Base interactions energy: -2193.724 where: short stacking energy: -920.513 Base-Backbone interact. energy: -5.899 local terms energy: -924.438695 where: bonds (distance) C4'-P energy: -174.184 bonds (distance) P-C4' energy: -165.920 flat angles C4'-P-C4' energy: -191.213 flat angles P-C4'-P energy: -138.116 tors. eta vs tors. theta energy: -255.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2984.338442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.338442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.338442 (E_RNA) where: Base-Base interactions energy: -2072.697 where: short stacking energy: -940.980 Base-Backbone interact. energy: -1.007 local terms energy: -910.634433 where: bonds (distance) C4'-P energy: -168.172 bonds (distance) P-C4' energy: -163.547 flat angles C4'-P-C4' energy: -182.215 flat angles P-C4'-P energy: -116.893 tors. eta vs tors. theta energy: -279.808 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: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2842.105391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.105391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.105391 (E_RNA) where: Base-Base interactions energy: -1970.310 where: short stacking energy: -865.884 Base-Backbone interact. energy: -5.688 local terms energy: -866.107726 where: bonds (distance) C4'-P energy: -145.246 bonds (distance) P-C4' energy: -157.266 flat angles C4'-P-C4' energy: -188.412 flat angles P-C4'-P energy: -127.954 tors. eta vs tors. theta energy: -247.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2782.330708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.330708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.330708 (E_RNA) where: Base-Base interactions energy: -1941.594 where: short stacking energy: -842.318 Base-Backbone interact. energy: 0.141 local terms energy: -840.877511 where: bonds (distance) C4'-P energy: -147.841 bonds (distance) P-C4' energy: -144.019 flat angles C4'-P-C4' energy: -192.292 flat angles P-C4'-P energy: -121.815 tors. eta vs tors. theta energy: -234.911 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: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2717.756097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.756097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.756097 (E_RNA) where: Base-Base interactions energy: -1885.671 where: short stacking energy: -827.511 Base-Backbone interact. energy: -4.751 local terms energy: -827.334155 where: bonds (distance) C4'-P energy: -138.270 bonds (distance) P-C4' energy: -139.891 flat angles C4'-P-C4' energy: -170.910 flat angles P-C4'-P energy: -128.194 tors. eta vs tors. theta energy: -250.069 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: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2567.927526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.927526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.927526 (E_RNA) where: Base-Base interactions energy: -1803.355 where: short stacking energy: -784.772 Base-Backbone interact. energy: 4.438 local terms energy: -769.011300 where: bonds (distance) C4'-P energy: -131.829 bonds (distance) P-C4' energy: -137.036 flat angles C4'-P-C4' energy: -172.988 flat angles P-C4'-P energy: -105.670 tors. eta vs tors. theta energy: -221.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -2373.958569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.958569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.958569 (E_RNA) where: Base-Base interactions energy: -1629.756 where: short stacking energy: -711.753 Base-Backbone interact. energy: 0.774 local terms energy: -744.976755 where: bonds (distance) C4'-P energy: -123.059 bonds (distance) P-C4' energy: -155.402 flat angles C4'-P-C4' energy: -159.094 flat angles P-C4'-P energy: -108.526 tors. eta vs tors. theta energy: -198.896 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: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -2043.254997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.254997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.254997 (E_RNA) where: Base-Base interactions energy: -1369.210 where: short stacking energy: -609.785 Base-Backbone interact. energy: -4.354 local terms energy: -669.691605 where: bonds (distance) C4'-P energy: -126.796 bonds (distance) P-C4' energy: -115.006 flat angles C4'-P-C4' energy: -160.266 flat angles P-C4'-P energy: -102.824 tors. eta vs tors. theta energy: -164.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1511.325835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.325835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.325835 (E_RNA) where: Base-Base interactions energy: -947.829 where: short stacking energy: -458.062 Base-Backbone interact. energy: 0.218 local terms energy: -563.715425 where: bonds (distance) C4'-P energy: -118.951 bonds (distance) P-C4' energy: -126.303 flat angles C4'-P-C4' energy: -136.015 flat angles P-C4'-P energy: -94.222 tors. eta vs tors. theta energy: -88.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -911.184263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.184263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.184263 (E_RNA) where: Base-Base interactions energy: -463.514 where: short stacking energy: -258.689 Base-Backbone interact. energy: 0.232 local terms energy: -447.903141 where: bonds (distance) C4'-P energy: -134.589 bonds (distance) P-C4' energy: -121.779 flat angles C4'-P-C4' energy: -109.223 flat angles P-C4'-P energy: -77.091 tors. eta vs tors. theta energy: -5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -3109.141493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.141493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.141493 (E_RNA) where: Base-Base interactions energy: -2181.158 where: short stacking energy: -901.742 Base-Backbone interact. energy: -6.490 local terms energy: -921.493897 where: bonds (distance) C4'-P energy: -166.878 bonds (distance) P-C4' energy: -172.249 flat angles C4'-P-C4' energy: -181.787 flat angles P-C4'-P energy: -132.509 tors. eta vs tors. theta energy: -268.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2978.207705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.207705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.207705 (E_RNA) where: Base-Base interactions energy: -2047.110 where: short stacking energy: -893.047 Base-Backbone interact. energy: -2.604 local terms energy: -928.494451 where: bonds (distance) C4'-P energy: -162.658 bonds (distance) P-C4' energy: -173.819 flat angles C4'-P-C4' energy: -188.816 flat angles P-C4'-P energy: -139.797 tors. eta vs tors. theta energy: -263.405 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: 128 Temperature: 1.000000 Total energy: -2863.932210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.932210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.932210 (E_RNA) where: Base-Base interactions energy: -1973.841 where: short stacking energy: -875.639 Base-Backbone interact. energy: -3.044 local terms energy: -887.047404 where: bonds (distance) C4'-P energy: -149.138 bonds (distance) P-C4' energy: -161.952 flat angles C4'-P-C4' energy: -186.562 flat angles P-C4'-P energy: -128.370 tors. eta vs tors. theta energy: -261.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2811.944127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.944127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.944127 (E_RNA) where: Base-Base interactions energy: -1947.519 where: short stacking energy: -854.760 Base-Backbone interact. energy: -5.309 local terms energy: -859.116559 where: bonds (distance) C4'-P energy: -151.733 bonds (distance) P-C4' energy: -144.446 flat angles C4'-P-C4' energy: -187.371 flat angles P-C4'-P energy: -122.998 tors. eta vs tors. theta energy: -252.568 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: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2668.697808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.697808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.697808 (E_RNA) where: Base-Base interactions energy: -1837.099 where: short stacking energy: -812.935 Base-Backbone interact. energy: -1.410 local terms energy: -830.187974 where: bonds (distance) C4'-P energy: -146.649 bonds (distance) P-C4' energy: -140.554 flat angles C4'-P-C4' energy: -178.616 flat angles P-C4'-P energy: -114.751 tors. eta vs tors. theta energy: -249.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2517.200339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.200339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.200339 (E_RNA) where: Base-Base interactions energy: -1781.615 where: short stacking energy: -749.646 Base-Backbone interact. energy: -2.628 local terms energy: -732.957750 where: bonds (distance) C4'-P energy: -150.101 bonds (distance) P-C4' energy: -119.310 flat angles C4'-P-C4' energy: -149.884 flat angles P-C4'-P energy: -105.804 tors. eta vs tors. theta energy: -207.859 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: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -2412.001278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.001278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.001278 (E_RNA) where: Base-Base interactions energy: -1673.519 where: short stacking energy: -726.615 Base-Backbone interact. energy: -3.193 local terms energy: -735.289083 where: bonds (distance) C4'-P energy: -132.709 bonds (distance) P-C4' energy: -131.975 flat angles C4'-P-C4' energy: -157.857 flat angles P-C4'-P energy: -108.763 tors. eta vs tors. theta energy: -203.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -2042.763831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.763831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.763831 (E_RNA) where: Base-Base interactions energy: -1373.559 where: short stacking energy: -642.469 Base-Backbone interact. energy: 2.130 local terms energy: -671.335067 where: bonds (distance) C4'-P energy: -119.975 bonds (distance) P-C4' energy: -136.241 flat angles C4'-P-C4' energy: -155.238 flat angles P-C4'-P energy: -96.787 tors. eta vs tors. theta energy: -163.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1482.133175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.133175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.133175 (E_RNA) where: Base-Base interactions energy: -943.734 where: short stacking energy: -431.503 Base-Backbone interact. energy: 9.171 local terms energy: -547.569927 where: bonds (distance) C4'-P energy: -108.809 bonds (distance) P-C4' energy: -160.856 flat angles C4'-P-C4' energy: -122.602 flat angles P-C4'-P energy: -82.719 tors. eta vs tors. theta energy: -72.584 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: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -932.378729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.378729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.378729 (E_RNA) where: Base-Base interactions energy: -521.155 where: short stacking energy: -295.837 Base-Backbone interact. energy: 1.641 local terms energy: -412.865059 where: bonds (distance) C4'-P energy: -120.563 bonds (distance) P-C4' energy: -109.212 flat angles C4'-P-C4' energy: -104.455 flat angles P-C4'-P energy: -75.855 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -3116.061336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.061336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.061336 (E_RNA) where: Base-Base interactions energy: -2204.902 where: short stacking energy: -927.242 Base-Backbone interact. energy: -1.129 local terms energy: -910.029497 where: bonds (distance) C4'-P energy: -151.741 bonds (distance) P-C4' energy: -160.124 flat angles C4'-P-C4' energy: -191.071 flat angles P-C4'-P energy: -141.329 tors. eta vs tors. theta energy: -265.765 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: 2, replica: 5 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -3015.191641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.191641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.191641 (E_RNA) where: Base-Base interactions energy: -2085.486 where: short stacking energy: -933.355 Base-Backbone interact. energy: -1.572 local terms energy: -928.133097 where: bonds (distance) C4'-P energy: -159.990 bonds (distance) P-C4' energy: -164.833 flat angles C4'-P-C4' energy: -188.349 flat angles P-C4'-P energy: -135.936 tors. eta vs tors. theta energy: -279.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2852.098688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.098688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.098688 (E_RNA) where: Base-Base interactions energy: -1964.542 where: short stacking energy: -875.171 Base-Backbone interact. energy: -2.699 local terms energy: -884.858177 where: bonds (distance) C4'-P energy: -138.848 bonds (distance) P-C4' energy: -164.078 flat angles C4'-P-C4' energy: -185.458 flat angles P-C4'-P energy: -135.860 tors. eta vs tors. theta energy: -260.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2798.784683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.784683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.784683 (E_RNA) where: Base-Base interactions energy: -1932.824 where: short stacking energy: -846.517 Base-Backbone interact. energy: -6.319 local terms energy: -859.641691 where: bonds (distance) C4'-P energy: -151.029 bonds (distance) P-C4' energy: -144.046 flat angles C4'-P-C4' energy: -182.512 flat angles P-C4'-P energy: -132.263 tors. eta vs tors. theta energy: -249.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2665.598212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.598212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.598212 (E_RNA) where: Base-Base interactions energy: -1846.544 where: short stacking energy: -823.245 Base-Backbone interact. energy: -2.574 local terms energy: -816.479658 where: bonds (distance) C4'-P energy: -136.600 bonds (distance) P-C4' energy: -142.253 flat angles C4'-P-C4' energy: -184.038 flat angles P-C4'-P energy: -111.778 tors. eta vs tors. theta energy: -241.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2501.390463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.390463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.390463 (E_RNA) where: Base-Base interactions energy: -1698.443 where: short stacking energy: -774.845 Base-Backbone interact. energy: -3.437 local terms energy: -799.510563 where: bonds (distance) C4'-P energy: -147.529 bonds (distance) P-C4' energy: -149.212 flat angles C4'-P-C4' energy: -183.779 flat angles P-C4'-P energy: -107.916 tors. eta vs tors. theta energy: -211.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -2378.565013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.565013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.565013 (E_RNA) where: Base-Base interactions energy: -1655.107 where: short stacking energy: -714.788 Base-Backbone interact. energy: 0.528 local terms energy: -723.986084 where: bonds (distance) C4'-P energy: -121.642 bonds (distance) P-C4' energy: -133.259 flat angles C4'-P-C4' energy: -152.367 flat angles P-C4'-P energy: -115.899 tors. eta vs tors. theta energy: -200.819 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: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -2082.670071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.670071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.670071 (E_RNA) where: Base-Base interactions energy: -1426.332 where: short stacking energy: -623.236 Base-Backbone interact. energy: -0.555 local terms energy: -655.782561 where: bonds (distance) C4'-P energy: -121.196 bonds (distance) P-C4' energy: -140.357 flat angles C4'-P-C4' energy: -150.761 flat angles P-C4'-P energy: -85.738 tors. eta vs tors. theta energy: -157.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1502.724485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.724485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.724485 (E_RNA) where: Base-Base interactions energy: -956.497 where: short stacking energy: -453.690 Base-Backbone interact. energy: 0.997 local terms energy: -547.225023 where: bonds (distance) C4'-P energy: -128.542 bonds (distance) P-C4' energy: -130.212 flat angles C4'-P-C4' energy: -131.177 flat angles P-C4'-P energy: -85.814 tors. eta vs tors. theta energy: -71.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -972.919609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.919609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.919609 (E_RNA) where: Base-Base interactions energy: -528.951 where: short stacking energy: -284.833 Base-Backbone interact. energy: -0.230 local terms energy: -443.739016 where: bonds (distance) C4'-P energy: -135.440 bonds (distance) P-C4' energy: -126.214 flat angles C4'-P-C4' energy: -106.399 flat angles P-C4'-P energy: -72.442 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -3102.634129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.634129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.634129 (E_RNA) where: Base-Base interactions energy: -2193.256 where: short stacking energy: -935.993 Base-Backbone interact. energy: -3.805 local terms energy: -905.573417 where: bonds (distance) C4'-P energy: -153.447 bonds (distance) P-C4' energy: -166.636 flat angles C4'-P-C4' energy: -197.100 flat angles P-C4'-P energy: -125.195 tors. eta vs tors. theta energy: -263.195 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: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -3039.907408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.907408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.907408 (E_RNA) where: Base-Base interactions energy: -2129.501 where: short stacking energy: -966.621 Base-Backbone interact. energy: -1.212 local terms energy: -909.193636 where: bonds (distance) C4'-P energy: -145.409 bonds (distance) P-C4' energy: -158.598 flat angles C4'-P-C4' energy: -184.622 flat angles P-C4'-P energy: -144.472 tors. eta vs tors. theta energy: -276.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2835.011617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.011617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.011617 (E_RNA) where: Base-Base interactions energy: -1954.846 where: short stacking energy: -852.532 Base-Backbone interact. energy: -1.664 local terms energy: -878.501571 where: bonds (distance) C4'-P energy: -159.437 bonds (distance) P-C4' energy: -144.882 flat angles C4'-P-C4' energy: -185.431 flat angles P-C4'-P energy: -130.723 tors. eta vs tors. theta energy: -258.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2800.032226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.032226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.032226 (E_RNA) where: Base-Base interactions energy: -1926.759 where: short stacking energy: -837.417 Base-Backbone interact. energy: -2.191 local terms energy: -871.082825 where: bonds (distance) C4'-P energy: -160.924 bonds (distance) P-C4' energy: -155.130 flat angles C4'-P-C4' energy: -182.469 flat angles P-C4'-P energy: -128.677 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: 5, replica: 2 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2644.490288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.490288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.490288 (E_RNA) where: Base-Base interactions energy: -1832.957 where: short stacking energy: -815.547 Base-Backbone interact. energy: -2.305 local terms energy: -809.228970 where: bonds (distance) C4'-P energy: -127.310 bonds (distance) P-C4' energy: -146.513 flat angles C4'-P-C4' energy: -184.718 flat angles P-C4'-P energy: -123.134 tors. eta vs tors. theta energy: -227.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2598.014372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.014372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.014372 (E_RNA) where: Base-Base interactions energy: -1809.283 where: short stacking energy: -802.840 Base-Backbone interact. energy: -4.220 local terms energy: -784.510721 where: bonds (distance) C4'-P energy: -124.252 bonds (distance) P-C4' energy: -137.997 flat angles C4'-P-C4' energy: -166.741 flat angles P-C4'-P energy: -99.938 tors. eta vs tors. theta energy: -255.583 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: 8 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -2383.277682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.277682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.277682 (E_RNA) where: Base-Base interactions energy: -1685.390 where: short stacking energy: -742.690 Base-Backbone interact. energy: -2.170 local terms energy: -695.718070 where: bonds (distance) C4'-P energy: -120.191 bonds (distance) P-C4' energy: -118.743 flat angles C4'-P-C4' energy: -163.327 flat angles P-C4'-P energy: -93.427 tors. eta vs tors. theta energy: -200.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -2042.334256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.334256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.334256 (E_RNA) where: Base-Base interactions energy: -1386.026 where: short stacking energy: -608.172 Base-Backbone interact. energy: -3.554 local terms energy: -652.753914 where: bonds (distance) C4'-P energy: -119.407 bonds (distance) P-C4' energy: -138.185 flat angles C4'-P-C4' energy: -158.484 flat angles P-C4'-P energy: -94.578 tors. eta vs tors. theta energy: -142.100 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: 9 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1485.454518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.454518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.454518 (E_RNA) where: Base-Base interactions energy: -937.323 where: short stacking energy: -462.490 Base-Backbone interact. energy: 1.491 local terms energy: -549.622380 where: bonds (distance) C4'-P energy: -120.128 bonds (distance) P-C4' energy: -145.814 flat angles C4'-P-C4' energy: -130.069 flat angles P-C4'-P energy: -82.623 tors. eta vs tors. theta energy: -70.988 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: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -951.649642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.649642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.649642 (E_RNA) where: Base-Base interactions energy: -479.424 where: short stacking energy: -241.354 Base-Backbone interact. energy: -3.490 local terms energy: -468.735771 where: bonds (distance) C4'-P energy: -147.263 bonds (distance) P-C4' energy: -142.591 flat angles C4'-P-C4' energy: -118.313 flat angles P-C4'-P energy: -68.626 tors. eta vs tors. theta energy: 8.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -3108.989642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.989642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.989642 (E_RNA) where: Base-Base interactions energy: -2178.871 where: short stacking energy: -934.274 Base-Backbone interact. energy: -2.908 local terms energy: -927.210412 where: bonds (distance) C4'-P energy: -160.972 bonds (distance) P-C4' energy: -165.777 flat angles C4'-P-C4' energy: -193.572 flat angles P-C4'-P energy: -142.776 tors. eta vs tors. theta energy: -264.113 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: 5 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2985.977668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.977668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.977668 (E_RNA) where: Base-Base interactions energy: -2075.129 where: short stacking energy: -908.087 Base-Backbone interact. energy: -3.224 local terms energy: -907.624985 where: bonds (distance) C4'-P energy: -157.459 bonds (distance) P-C4' energy: -164.799 flat angles C4'-P-C4' energy: -181.224 flat angles P-C4'-P energy: -131.463 tors. eta vs tors. theta energy: -272.680 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: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2841.422206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.422206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.422206 (E_RNA) where: Base-Base interactions energy: -1967.085 where: short stacking energy: -855.697 Base-Backbone interact. energy: -4.011 local terms energy: -870.326138 where: bonds (distance) C4'-P energy: -137.370 bonds (distance) P-C4' energy: -174.365 flat angles C4'-P-C4' energy: -180.931 flat angles P-C4'-P energy: -130.203 tors. eta vs tors. theta energy: -247.457 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: 4, replica: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2772.091661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.091661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.091661 (E_RNA) where: Base-Base interactions energy: -1889.523 where: short stacking energy: -846.397 Base-Backbone interact. energy: -3.520 local terms energy: -879.049174 where: bonds (distance) C4'-P energy: -154.948 bonds (distance) P-C4' energy: -166.338 flat angles C4'-P-C4' energy: -190.992 flat angles P-C4'-P energy: -114.956 tors. eta vs tors. theta energy: -251.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2644.999487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.999487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.999487 (E_RNA) where: Base-Base interactions energy: -1821.247 where: short stacking energy: -835.859 Base-Backbone interact. energy: -4.236 local terms energy: -819.516017 where: bonds (distance) C4'-P energy: -152.244 bonds (distance) P-C4' energy: -157.314 flat angles C4'-P-C4' energy: -162.029 flat angles P-C4'-P energy: -107.715 tors. eta vs tors. theta energy: -240.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2596.129183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.129183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.129183 (E_RNA) where: Base-Base interactions energy: -1806.535 where: short stacking energy: -797.591 Base-Backbone interact. energy: 0.183 local terms energy: -789.777027 where: bonds (distance) C4'-P energy: -129.940 bonds (distance) P-C4' energy: -152.760 flat angles C4'-P-C4' energy: -174.395 flat angles P-C4'-P energy: -100.263 tors. eta vs tors. theta energy: -232.420 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: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -2306.068026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.068026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.068026 (E_RNA) where: Base-Base interactions energy: -1601.894 where: short stacking energy: -706.116 Base-Backbone interact. energy: -2.984 local terms energy: -701.189836 where: bonds (distance) C4'-P energy: -118.850 bonds (distance) P-C4' energy: -146.291 flat angles C4'-P-C4' energy: -156.352 flat angles P-C4'-P energy: -100.001 tors. eta vs tors. theta energy: -179.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -2061.401762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.401762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.401762 (E_RNA) where: Base-Base interactions energy: -1436.270 where: short stacking energy: -634.590 Base-Backbone interact. energy: 1.468 local terms energy: -626.599682 where: bonds (distance) C4'-P energy: -109.125 bonds (distance) P-C4' energy: -132.854 flat angles C4'-P-C4' energy: -152.319 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -152.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1476.635229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.635229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.635229 (E_RNA) where: Base-Base interactions energy: -886.622 where: short stacking energy: -431.041 Base-Backbone interact. energy: 1.883 local terms energy: -591.896427 where: bonds (distance) C4'-P energy: -152.244 bonds (distance) P-C4' energy: -130.120 flat angles C4'-P-C4' energy: -144.537 flat angles P-C4'-P energy: -98.941 tors. eta vs tors. theta energy: -66.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -912.740723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.740723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.740723 (E_RNA) where: Base-Base interactions energy: -451.594 where: short stacking energy: -268.186 Base-Backbone interact. energy: 1.947 local terms energy: -463.093653 where: bonds (distance) C4'-P energy: -121.691 bonds (distance) P-C4' energy: -130.073 flat angles C4'-P-C4' energy: -127.851 flat angles P-C4'-P energy: -84.562 tors. eta vs tors. theta energy: 1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3088.773024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.773024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.773024 (E_RNA) where: Base-Base interactions energy: -2160.506 where: short stacking energy: -915.891 Base-Backbone interact. energy: -1.230 local terms energy: -927.036330 where: bonds (distance) C4'-P energy: -171.250 bonds (distance) P-C4' energy: -176.485 flat angles C4'-P-C4' energy: -193.247 flat angles P-C4'-P energy: -133.444 tors. eta vs tors. theta energy: -252.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2991.582462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.582462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.582462 (E_RNA) where: Base-Base interactions energy: -2062.424 where: short stacking energy: -924.635 Base-Backbone interact. energy: -5.025 local terms energy: -924.132904 where: bonds (distance) C4'-P energy: -156.481 bonds (distance) P-C4' energy: -162.788 flat angles C4'-P-C4' energy: -195.049 flat angles P-C4'-P energy: -135.493 tors. eta vs tors. theta energy: -274.321 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: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2877.181225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.181225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.181225 (E_RNA) where: Base-Base interactions energy: -2007.771 where: short stacking energy: -882.486 Base-Backbone interact. energy: -1.628 local terms energy: -867.782473 where: bonds (distance) C4'-P energy: -126.067 bonds (distance) P-C4' energy: -168.171 flat angles C4'-P-C4' energy: -199.583 flat angles P-C4'-P energy: -124.274 tors. eta vs tors. theta energy: -249.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2803.303781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.303781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.303781 (E_RNA) where: Base-Base interactions energy: -1937.222 where: short stacking energy: -844.585 Base-Backbone interact. energy: -0.067 local terms energy: -866.015183 where: bonds (distance) C4'-P energy: -157.218 bonds (distance) P-C4' energy: -144.684 flat angles C4'-P-C4' energy: -179.469 flat angles P-C4'-P energy: -121.098 tors. eta vs tors. theta energy: -263.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2695.536813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.536813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.536813 (E_RNA) where: Base-Base interactions energy: -1898.156 where: short stacking energy: -828.057 Base-Backbone interact. energy: -2.185 local terms energy: -795.196286 where: bonds (distance) C4'-P energy: -152.524 bonds (distance) P-C4' energy: -140.913 flat angles C4'-P-C4' energy: -156.579 flat angles P-C4'-P energy: -106.423 tors. eta vs tors. theta energy: -238.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2561.275953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.275953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.275953 (E_RNA) where: Base-Base interactions energy: -1768.736 where: short stacking energy: -782.110 Base-Backbone interact. energy: -4.801 local terms energy: -787.738876 where: bonds (distance) C4'-P energy: -147.441 bonds (distance) P-C4' energy: -142.698 flat angles C4'-P-C4' energy: -166.002 flat angles P-C4'-P energy: -106.887 tors. eta vs tors. theta energy: -224.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -2365.012931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.012931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.012931 (E_RNA) where: Base-Base interactions energy: -1626.392 where: short stacking energy: -708.035 Base-Backbone interact. energy: -3.545 local terms energy: -735.075321 where: bonds (distance) C4'-P energy: -134.501 bonds (distance) P-C4' energy: -138.514 flat angles C4'-P-C4' energy: -173.203 flat angles P-C4'-P energy: -97.897 tors. eta vs tors. theta energy: -190.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -2110.492255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.492255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.492255 (E_RNA) where: Base-Base interactions energy: -1418.448 where: short stacking energy: -607.303 Base-Backbone interact. energy: -0.416 local terms energy: -691.628121 where: bonds (distance) C4'-P energy: -141.537 bonds (distance) P-C4' energy: -138.541 flat angles C4'-P-C4' energy: -159.624 flat angles P-C4'-P energy: -86.838 tors. eta vs tors. theta energy: -165.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1514.606718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.606718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.606718 (E_RNA) where: Base-Base interactions energy: -946.017 where: short stacking energy: -449.668 Base-Backbone interact. energy: 1.733 local terms energy: -570.321939 where: bonds (distance) C4'-P energy: -141.174 bonds (distance) P-C4' energy: -143.086 flat angles C4'-P-C4' energy: -130.174 flat angles P-C4'-P energy: -76.640 tors. eta vs tors. theta energy: -79.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -903.224864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.224864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.224864 (E_RNA) where: Base-Base interactions energy: -429.638 where: short stacking energy: -244.189 Base-Backbone interact. energy: 0.720 local terms energy: -474.307694 where: bonds (distance) C4'-P energy: -130.541 bonds (distance) P-C4' energy: -136.657 flat angles C4'-P-C4' energy: -128.766 flat angles P-C4'-P energy: -80.566 tors. eta vs tors. theta energy: 2.222 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: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -3101.512519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.512519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.512519 (E_RNA) where: Base-Base interactions energy: -2166.897 where: short stacking energy: -917.773 Base-Backbone interact. energy: -1.275 local terms energy: -933.339996 where: bonds (distance) C4'-P energy: -166.255 bonds (distance) P-C4' energy: -166.143 flat angles C4'-P-C4' energy: -203.358 flat angles P-C4'-P energy: -130.059 tors. eta vs tors. theta energy: -267.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -3022.331885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.331885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.331885 (E_RNA) where: Base-Base interactions energy: -2083.144 where: short stacking energy: -932.187 Base-Backbone interact. energy: 0.385 local terms energy: -939.573270 where: bonds (distance) C4'-P energy: -163.107 bonds (distance) P-C4' energy: -166.134 flat angles C4'-P-C4' energy: -189.240 flat angles P-C4'-P energy: -131.970 tors. eta vs tors. theta energy: -289.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2863.083504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.083504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.083504 (E_RNA) where: Base-Base interactions energy: -1984.467 where: short stacking energy: -867.720 Base-Backbone interact. energy: 1.727 local terms energy: -880.343789 where: bonds (distance) C4'-P energy: -157.661 bonds (distance) P-C4' energy: -154.838 flat angles C4'-P-C4' energy: -192.817 flat angles P-C4'-P energy: -118.314 tors. eta vs tors. theta energy: -256.714 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: 4, replica: 7 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2789.000282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.000282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.000282 (E_RNA) where: Base-Base interactions energy: -1949.654 where: short stacking energy: -860.547 Base-Backbone interact. energy: -2.424 local terms energy: -836.921952 where: bonds (distance) C4'-P energy: -128.243 bonds (distance) P-C4' energy: -153.689 flat angles C4'-P-C4' energy: -181.889 flat angles P-C4'-P energy: -121.866 tors. eta vs tors. theta energy: -251.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2696.933536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.933536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.933536 (E_RNA) where: Base-Base interactions energy: -1874.256 where: short stacking energy: -833.483 Base-Backbone interact. energy: -4.419 local terms energy: -818.258945 where: bonds (distance) C4'-P energy: -143.565 bonds (distance) P-C4' energy: -162.655 flat angles C4'-P-C4' energy: -165.987 flat angles P-C4'-P energy: -103.708 tors. eta vs tors. theta energy: -242.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2558.614415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.614415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.614415 (E_RNA) where: Base-Base interactions energy: -1774.523 where: short stacking energy: -768.716 Base-Backbone interact. energy: -1.718 local terms energy: -782.373898 where: bonds (distance) C4'-P energy: -128.573 bonds (distance) P-C4' energy: -144.330 flat angles C4'-P-C4' energy: -175.262 flat angles P-C4'-P energy: -109.098 tors. eta vs tors. theta energy: -225.110 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: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2358.716011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.716011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.716011 (E_RNA) where: Base-Base interactions energy: -1622.529 where: short stacking energy: -724.420 Base-Backbone interact. energy: -0.298 local terms energy: -735.889583 where: bonds (distance) C4'-P energy: -121.874 bonds (distance) P-C4' energy: -154.615 flat angles C4'-P-C4' energy: -166.486 flat angles P-C4'-P energy: -102.869 tors. eta vs tors. theta energy: -190.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -2035.794550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.794550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.794550 (E_RNA) where: Base-Base interactions energy: -1380.390 where: short stacking energy: -608.593 Base-Backbone interact. energy: -3.368 local terms energy: -652.036925 where: bonds (distance) C4'-P energy: -123.453 bonds (distance) P-C4' energy: -143.288 flat angles C4'-P-C4' energy: -148.348 flat angles P-C4'-P energy: -92.605 tors. eta vs tors. theta energy: -144.343 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: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1523.084687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.084687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.084687 (E_RNA) where: Base-Base interactions energy: -949.653 where: short stacking energy: -430.272 Base-Backbone interact. energy: -0.011 local terms energy: -573.421168 where: bonds (distance) C4'-P energy: -135.305 bonds (distance) P-C4' energy: -136.463 flat angles C4'-P-C4' energy: -136.378 flat angles P-C4'-P energy: -99.417 tors. eta vs tors. theta energy: -65.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -899.529288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.529288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.529288 (E_RNA) where: Base-Base interactions energy: -468.030 where: short stacking energy: -271.438 Base-Backbone interact. energy: 1.561 local terms energy: -433.060178 where: bonds (distance) C4'-P energy: -112.322 bonds (distance) P-C4' energy: -128.519 flat angles C4'-P-C4' energy: -122.217 flat angles P-C4'-P energy: -73.465 tors. eta vs tors. theta energy: 3.463 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: 1, replica: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -3077.899817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.899817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.899817 (E_RNA) where: Base-Base interactions energy: -2156.693 where: short stacking energy: -922.896 Base-Backbone interact. energy: -3.415 local terms energy: -917.791558 where: bonds (distance) C4'-P energy: -164.440 bonds (distance) P-C4' energy: -161.626 flat angles C4'-P-C4' energy: -192.924 flat angles P-C4'-P energy: -134.110 tors. eta vs tors. theta energy: -264.692 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: 5 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -3006.023666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.023666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.023666 (E_RNA) where: Base-Base interactions energy: -2070.417 where: short stacking energy: -911.941 Base-Backbone interact. energy: -0.865 local terms energy: -934.741867 where: bonds (distance) C4'-P energy: -159.097 bonds (distance) P-C4' energy: -162.676 flat angles C4'-P-C4' energy: -191.678 flat angles P-C4'-P energy: -137.971 tors. eta vs tors. theta energy: -283.319 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: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2863.896556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.896556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.896556 (E_RNA) where: Base-Base interactions energy: -1963.936 where: short stacking energy: -849.886 Base-Backbone interact. energy: -3.854 local terms energy: -896.106192 where: bonds (distance) C4'-P energy: -154.613 bonds (distance) P-C4' energy: -167.612 flat angles C4'-P-C4' energy: -191.389 flat angles P-C4'-P energy: -123.345 tors. eta vs tors. theta energy: -259.148 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: 134 Temperature: 1.050000 Total energy: -2792.132259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.132259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.132259 (E_RNA) where: Base-Base interactions energy: -1938.971 where: short stacking energy: -827.765 Base-Backbone interact. energy: -3.900 local terms energy: -849.261364 where: bonds (distance) C4'-P energy: -141.486 bonds (distance) P-C4' energy: -170.968 flat angles C4'-P-C4' energy: -160.939 flat angles P-C4'-P energy: -134.624 tors. eta vs tors. theta energy: -241.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2707.628822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.628822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.628822 (E_RNA) where: Base-Base interactions energy: -1887.779 where: short stacking energy: -831.738 Base-Backbone interact. energy: -2.044 local terms energy: -817.805296 where: bonds (distance) C4'-P energy: -143.191 bonds (distance) P-C4' energy: -153.434 flat angles C4'-P-C4' energy: -180.400 flat angles P-C4'-P energy: -109.421 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: 6, replica: 1 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2533.766273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.766273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.766273 (E_RNA) where: Base-Base interactions energy: -1794.565 where: short stacking energy: -791.468 Base-Backbone interact. energy: 0.141 local terms energy: -739.341642 where: bonds (distance) C4'-P energy: -131.821 bonds (distance) P-C4' energy: -118.160 flat angles C4'-P-C4' energy: -164.880 flat angles P-C4'-P energy: -104.848 tors. eta vs tors. theta energy: -219.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -2351.653585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.653585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.653585 (E_RNA) where: Base-Base interactions energy: -1604.703 where: short stacking energy: -726.125 Base-Backbone interact. energy: -5.392 local terms energy: -741.558213 where: bonds (distance) C4'-P energy: -125.941 bonds (distance) P-C4' energy: -149.788 flat angles C4'-P-C4' energy: -164.249 flat angles P-C4'-P energy: -105.845 tors. eta vs tors. theta energy: -195.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -2072.247156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.247156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.247156 (E_RNA) where: Base-Base interactions energy: -1381.708 where: short stacking energy: -631.604 Base-Backbone interact. energy: 2.474 local terms energy: -693.013489 where: bonds (distance) C4'-P energy: -148.437 bonds (distance) P-C4' energy: -134.658 flat angles C4'-P-C4' energy: -134.528 flat angles P-C4'-P energy: -100.614 tors. eta vs tors. theta energy: -174.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1544.342732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.342732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.342732 (E_RNA) where: Base-Base interactions energy: -994.007 where: short stacking energy: -478.150 Base-Backbone interact. energy: 4.422 local terms energy: -554.757762 where: bonds (distance) C4'-P energy: -143.158 bonds (distance) P-C4' energy: -141.907 flat angles C4'-P-C4' energy: -141.633 flat angles P-C4'-P energy: -56.270 tors. eta vs tors. theta energy: -71.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -838.274518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.274518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.274518 (E_RNA) where: Base-Base interactions energy: -418.365 where: short stacking energy: -253.739 Base-Backbone interact. energy: 0.031 local terms energy: -419.940921 where: bonds (distance) C4'-P energy: -116.165 bonds (distance) P-C4' energy: -121.964 flat angles C4'-P-C4' energy: -123.492 flat angles P-C4'-P energy: -68.351 tors. eta vs tors. theta energy: 10.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -3085.775107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.775107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.775107 (E_RNA) where: Base-Base interactions energy: -2155.870 where: short stacking energy: -898.012 Base-Backbone interact. energy: 1.000 local terms energy: -930.905745 where: bonds (distance) C4'-P energy: -154.552 bonds (distance) P-C4' energy: -180.750 flat angles C4'-P-C4' energy: -191.964 flat angles P-C4'-P energy: -132.184 tors. eta vs tors. theta energy: -271.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -3029.812459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.812459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.812459 (E_RNA) where: Base-Base interactions energy: -2101.918 where: short stacking energy: -932.164 Base-Backbone interact. energy: -6.053 local terms energy: -921.841018 where: bonds (distance) C4'-P energy: -167.740 bonds (distance) P-C4' energy: -159.833 flat angles C4'-P-C4' energy: -186.221 flat angles P-C4'-P energy: -131.649 tors. eta vs tors. theta energy: -276.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2898.655609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.655609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.655609 (E_RNA) where: Base-Base interactions energy: -1990.556 where: short stacking energy: -858.195 Base-Backbone interact. energy: -3.541 local terms energy: -904.559172 where: bonds (distance) C4'-P energy: -161.363 bonds (distance) P-C4' energy: -175.746 flat angles C4'-P-C4' energy: -184.418 flat angles P-C4'-P energy: -127.491 tors. eta vs tors. theta energy: -255.541 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: 4, replica: 7 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2818.206495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.206495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.206495 (E_RNA) where: Base-Base interactions energy: -1983.335 where: short stacking energy: -855.191 Base-Backbone interact. energy: -0.255 local terms energy: -834.616400 where: bonds (distance) C4'-P energy: -149.352 bonds (distance) P-C4' energy: -148.635 flat angles C4'-P-C4' energy: -168.514 flat angles P-C4'-P energy: -118.348 tors. eta vs tors. theta energy: -249.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2692.150842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.150842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.150842 (E_RNA) where: Base-Base interactions energy: -1849.156 where: short stacking energy: -795.202 Base-Backbone interact. energy: -1.365 local terms energy: -841.630132 where: bonds (distance) C4'-P energy: -158.989 bonds (distance) P-C4' energy: -148.932 flat angles C4'-P-C4' energy: -174.901 flat angles P-C4'-P energy: -116.209 tors. eta vs tors. theta energy: -242.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2590.632656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.632656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.632656 (E_RNA) where: Base-Base interactions energy: -1786.026 where: short stacking energy: -790.965 Base-Backbone interact. energy: 5.788 local terms energy: -810.395051 where: bonds (distance) C4'-P energy: -160.472 bonds (distance) P-C4' energy: -161.836 flat angles C4'-P-C4' energy: -156.656 flat angles P-C4'-P energy: -109.804 tors. eta vs tors. theta energy: -221.628 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: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -2355.016982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.016982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.016982 (E_RNA) where: Base-Base interactions energy: -1634.048 where: short stacking energy: -706.531 Base-Backbone interact. energy: 0.991 local terms energy: -721.960205 where: bonds (distance) C4'-P energy: -147.297 bonds (distance) P-C4' energy: -119.128 flat angles C4'-P-C4' energy: -161.617 flat angles P-C4'-P energy: -99.431 tors. eta vs tors. theta energy: -194.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -2144.014817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.014817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.014817 (E_RNA) where: Base-Base interactions energy: -1458.710 where: short stacking energy: -681.699 Base-Backbone interact. energy: 1.326 local terms energy: -686.631036 where: bonds (distance) C4'-P energy: -111.555 bonds (distance) P-C4' energy: -151.206 flat angles C4'-P-C4' energy: -139.856 flat angles P-C4'-P energy: -103.454 tors. eta vs tors. theta energy: -180.560 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: 9, replica: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1570.091012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.091012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.091012 (E_RNA) where: Base-Base interactions energy: -1008.428 where: short stacking energy: -476.022 Base-Backbone interact. energy: -3.776 local terms energy: -557.887114 where: bonds (distance) C4'-P energy: -116.771 bonds (distance) P-C4' energy: -140.320 flat angles C4'-P-C4' energy: -135.325 flat angles P-C4'-P energy: -64.715 tors. eta vs tors. theta energy: -100.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -831.460904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.460904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.460904 (E_RNA) where: Base-Base interactions energy: -372.149 where: short stacking energy: -246.780 Base-Backbone interact. energy: 1.328 local terms energy: -460.640399 where: bonds (distance) C4'-P energy: -129.568 bonds (distance) P-C4' energy: -148.445 flat angles C4'-P-C4' energy: -127.348 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -3.994 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: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -3083.573227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.573227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.573227 (E_RNA) where: Base-Base interactions energy: -2133.168 where: short stacking energy: -898.649 Base-Backbone interact. energy: -6.457 local terms energy: -943.948283 where: bonds (distance) C4'-P energy: -170.361 bonds (distance) P-C4' energy: -165.554 flat angles C4'-P-C4' energy: -194.379 flat angles P-C4'-P energy: -145.608 tors. eta vs tors. theta energy: -268.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -3003.139297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.139297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.139297 (E_RNA) where: Base-Base interactions energy: -2071.283 where: short stacking energy: -938.122 Base-Backbone interact. energy: -2.211 local terms energy: -929.645443 where: bonds (distance) C4'-P energy: -157.355 bonds (distance) P-C4' energy: -153.607 flat angles C4'-P-C4' energy: -207.550 flat angles P-C4'-P energy: -137.611 tors. eta vs tors. theta energy: -273.523 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: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2888.887501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.887501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.887501 (E_RNA) where: Base-Base interactions energy: -2005.861 where: short stacking energy: -875.736 Base-Backbone interact. energy: 2.381 local terms energy: -885.408193 where: bonds (distance) C4'-P energy: -154.597 bonds (distance) P-C4' energy: -166.083 flat angles C4'-P-C4' energy: -190.743 flat angles P-C4'-P energy: -115.258 tors. eta vs tors. theta energy: -258.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2766.074987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.074987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.074987 (E_RNA) where: Base-Base interactions energy: -1932.263 where: short stacking energy: -811.088 Base-Backbone interact. energy: 5.005 local terms energy: -838.816779 where: bonds (distance) C4'-P energy: -156.874 bonds (distance) P-C4' energy: -148.475 flat angles C4'-P-C4' energy: -185.048 flat angles P-C4'-P energy: -101.673 tors. eta vs tors. theta energy: -246.747 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: 136 Temperature: 1.100000 Total energy: -2708.963321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.963321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.963321 (E_RNA) where: Base-Base interactions energy: -1876.292 where: short stacking energy: -825.112 Base-Backbone interact. energy: 1.276 local terms energy: -833.948006 where: bonds (distance) C4'-P energy: -156.593 bonds (distance) P-C4' energy: -149.456 flat angles C4'-P-C4' energy: -173.291 flat angles P-C4'-P energy: -92.766 tors. eta vs tors. theta energy: -261.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2593.880307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.880307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.880307 (E_RNA) where: Base-Base interactions energy: -1775.459 where: short stacking energy: -796.139 Base-Backbone interact. energy: -1.329 local terms energy: -817.091608 where: bonds (distance) C4'-P energy: -139.534 bonds (distance) P-C4' energy: -162.749 flat angles C4'-P-C4' energy: -164.191 flat angles P-C4'-P energy: -108.966 tors. eta vs tors. theta energy: -241.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -2233.766434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.766434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.766434 (E_RNA) where: Base-Base interactions energy: -1513.271 where: short stacking energy: -691.937 Base-Backbone interact. energy: -3.808 local terms energy: -716.687382 where: bonds (distance) C4'-P energy: -137.394 bonds (distance) P-C4' energy: -155.687 flat angles C4'-P-C4' energy: -170.513 flat angles P-C4'-P energy: -80.184 tors. eta vs tors. theta energy: -172.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -2254.967951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.967951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.967951 (E_RNA) where: Base-Base interactions energy: -1560.551 where: short stacking energy: -661.038 Base-Backbone interact. energy: -3.253 local terms energy: -691.163943 where: bonds (distance) C4'-P energy: -117.313 bonds (distance) P-C4' energy: -145.307 flat angles C4'-P-C4' energy: -152.349 flat angles P-C4'-P energy: -91.848 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: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1554.116105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.116105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.116105 (E_RNA) where: Base-Base interactions energy: -1012.804 where: short stacking energy: -479.521 Base-Backbone interact. energy: 1.252 local terms energy: -542.564736 where: bonds (distance) C4'-P energy: -140.033 bonds (distance) P-C4' energy: -116.316 flat angles C4'-P-C4' energy: -132.940 flat angles P-C4'-P energy: -70.341 tors. eta vs tors. theta energy: -82.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -823.399310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.399310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.399310 (E_RNA) where: Base-Base interactions energy: -400.238 where: short stacking energy: -258.377 Base-Backbone interact. energy: 1.073 local terms energy: -424.234316 where: bonds (distance) C4'-P energy: -111.232 bonds (distance) P-C4' energy: -123.700 flat angles C4'-P-C4' energy: -110.963 flat angles P-C4'-P energy: -65.028 tors. eta vs tors. theta energy: -13.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -3052.215367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.215367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.215367 (E_RNA) where: Base-Base interactions energy: -2140.242 where: short stacking energy: -890.152 Base-Backbone interact. energy: -3.396 local terms energy: -908.577439 where: bonds (distance) C4'-P energy: -161.443 bonds (distance) P-C4' energy: -168.169 flat angles C4'-P-C4' energy: -188.043 flat angles P-C4'-P energy: -123.084 tors. eta vs tors. theta energy: -267.838 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: 5 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2985.775498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.775498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.775498 (E_RNA) where: Base-Base interactions energy: -2098.275 where: short stacking energy: -921.720 Base-Backbone interact. energy: -2.413 local terms energy: -885.087147 where: bonds (distance) C4'-P energy: -155.522 bonds (distance) P-C4' energy: -151.353 flat angles C4'-P-C4' energy: -188.267 flat angles P-C4'-P energy: -118.846 tors. eta vs tors. theta energy: -271.099 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: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2840.239936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.239936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.239936 (E_RNA) where: Base-Base interactions energy: -1986.196 where: short stacking energy: -845.156 Base-Backbone interact. energy: -3.676 local terms energy: -850.367655 where: bonds (distance) C4'-P energy: -146.493 bonds (distance) P-C4' energy: -152.614 flat angles C4'-P-C4' energy: -176.583 flat angles P-C4'-P energy: -124.847 tors. eta vs tors. theta energy: -249.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2782.043656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.043656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.043656 (E_RNA) where: Base-Base interactions energy: -1925.995 where: short stacking energy: -822.943 Base-Backbone interact. energy: -4.839 local terms energy: -851.209296 where: bonds (distance) C4'-P energy: -140.939 bonds (distance) P-C4' energy: -153.778 flat angles C4'-P-C4' energy: -177.469 flat angles P-C4'-P energy: -128.372 tors. eta vs tors. theta energy: -250.651 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: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2688.131889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.131889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.131889 (E_RNA) where: Base-Base interactions energy: -1844.924 where: short stacking energy: -822.501 Base-Backbone interact. energy: -4.180 local terms energy: -839.027485 where: bonds (distance) C4'-P energy: -147.554 bonds (distance) P-C4' energy: -165.151 flat angles C4'-P-C4' energy: -171.352 flat angles P-C4'-P energy: -106.499 tors. eta vs tors. theta energy: -248.471 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: 137 Temperature: 1.150000 Total energy: -2554.818770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.818770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.818770 (E_RNA) where: Base-Base interactions energy: -1792.956 where: short stacking energy: -767.506 Base-Backbone interact. energy: -3.475 local terms energy: -758.388025 where: bonds (distance) C4'-P energy: -133.354 bonds (distance) P-C4' energy: -150.078 flat angles C4'-P-C4' energy: -154.842 flat angles P-C4'-P energy: -96.326 tors. eta vs tors. theta energy: -223.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -2279.720394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.720394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.720394 (E_RNA) where: Base-Base interactions energy: -1585.382 where: short stacking energy: -698.177 Base-Backbone interact. energy: -3.716 local terms energy: -690.622002 where: bonds (distance) C4'-P energy: -133.438 bonds (distance) P-C4' energy: -139.961 flat angles C4'-P-C4' energy: -153.945 flat angles P-C4'-P energy: -93.971 tors. eta vs tors. theta energy: -169.306 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: 137 Temperature: 1.250000 Total energy: -2268.108434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.108434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.108434 (E_RNA) where: Base-Base interactions energy: -1570.216 where: short stacking energy: -700.282 Base-Backbone interact. energy: -1.669 local terms energy: -696.223916 where: bonds (distance) C4'-P energy: -140.831 bonds (distance) P-C4' energy: -142.429 flat angles C4'-P-C4' energy: -141.949 flat angles P-C4'-P energy: -84.200 tors. eta vs tors. theta energy: -186.815 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: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1469.613563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.613563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.613563 (E_RNA) where: Base-Base interactions energy: -890.976 where: short stacking energy: -409.080 Base-Backbone interact. energy: -3.481 local terms energy: -575.156468 where: bonds (distance) C4'-P energy: -112.059 bonds (distance) P-C4' energy: -157.027 flat angles C4'-P-C4' energy: -140.676 flat angles P-C4'-P energy: -96.270 tors. eta vs tors. theta energy: -69.124 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: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -829.229855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.229855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.229855 (E_RNA) where: Base-Base interactions energy: -373.744 where: short stacking energy: -258.107 Base-Backbone interact. energy: 5.015 local terms energy: -460.501417 where: bonds (distance) C4'-P energy: -135.876 bonds (distance) P-C4' energy: -143.388 flat angles C4'-P-C4' energy: -116.574 flat angles P-C4'-P energy: -76.352 tors. eta vs tors. theta energy: 11.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -3082.516742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.516742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.516742 (E_RNA) where: Base-Base interactions energy: -2181.776 where: short stacking energy: -932.180 Base-Backbone interact. energy: -4.729 local terms energy: -896.011435 where: bonds (distance) C4'-P energy: -155.278 bonds (distance) P-C4' energy: -156.997 flat angles C4'-P-C4' energy: -184.922 flat angles P-C4'-P energy: -121.092 tors. eta vs tors. theta energy: -277.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2976.828542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.828542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.828542 (E_RNA) where: Base-Base interactions energy: -2064.563 where: short stacking energy: -912.690 Base-Backbone interact. energy: -1.625 local terms energy: -910.640640 where: bonds (distance) C4'-P energy: -163.522 bonds (distance) P-C4' energy: -160.416 flat angles C4'-P-C4' energy: -182.084 flat angles P-C4'-P energy: -132.633 tors. eta vs tors. theta energy: -271.986 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: 138 Temperature: 1.000000 Total energy: -2823.081902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.081902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.081902 (E_RNA) where: Base-Base interactions energy: -1930.183 where: short stacking energy: -876.363 Base-Backbone interact. energy: -3.566 local terms energy: -889.332795 where: bonds (distance) C4'-P energy: -150.651 bonds (distance) P-C4' energy: -164.093 flat angles C4'-P-C4' energy: -189.066 flat angles P-C4'-P energy: -127.272 tors. eta vs tors. theta energy: -258.251 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: 4 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2800.336134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.336134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.336134 (E_RNA) where: Base-Base interactions energy: -1939.154 where: short stacking energy: -832.576 Base-Backbone interact. energy: -3.883 local terms energy: -857.298982 where: bonds (distance) C4'-P energy: -143.155 bonds (distance) P-C4' energy: -145.562 flat angles C4'-P-C4' energy: -182.666 flat angles P-C4'-P energy: -123.286 tors. eta vs tors. theta energy: -262.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2673.452513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.452513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.452513 (E_RNA) where: Base-Base interactions energy: -1837.344 where: short stacking energy: -799.726 Base-Backbone interact. energy: -0.479 local terms energy: -835.629427 where: bonds (distance) C4'-P energy: -163.138 bonds (distance) P-C4' energy: -142.252 flat angles C4'-P-C4' energy: -171.947 flat angles P-C4'-P energy: -119.739 tors. eta vs tors. theta energy: -238.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2562.251383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.251383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.251383 (E_RNA) where: Base-Base interactions energy: -1812.791 where: short stacking energy: -798.683 Base-Backbone interact. energy: -1.630 local terms energy: -747.830660 where: bonds (distance) C4'-P energy: -136.137 bonds (distance) P-C4' energy: -130.823 flat angles C4'-P-C4' energy: -158.503 flat angles P-C4'-P energy: -98.293 tors. eta vs tors. theta energy: -224.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -2414.106983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.106983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.106983 (E_RNA) where: Base-Base interactions energy: -1676.381 where: short stacking energy: -739.986 Base-Backbone interact. energy: -4.746 local terms energy: -732.979816 where: bonds (distance) C4'-P energy: -140.247 bonds (distance) P-C4' energy: -133.609 flat angles C4'-P-C4' energy: -152.905 flat angles P-C4'-P energy: -103.249 tors. eta vs tors. theta energy: -202.969 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: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -2182.350703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.350703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.350703 (E_RNA) where: Base-Base interactions energy: -1519.710 where: short stacking energy: -663.691 Base-Backbone interact. energy: -0.173 local terms energy: -662.467569 where: bonds (distance) C4'-P energy: -115.117 bonds (distance) P-C4' energy: -132.629 flat angles C4'-P-C4' energy: -140.981 flat angles P-C4'-P energy: -96.889 tors. eta vs tors. theta energy: -176.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1538.805715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.805715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.805715 (E_RNA) where: Base-Base interactions energy: -989.574 where: short stacking energy: -477.336 Base-Backbone interact. energy: 0.463 local terms energy: -549.694184 where: bonds (distance) C4'-P energy: -106.327 bonds (distance) P-C4' energy: -132.301 flat angles C4'-P-C4' energy: -127.229 flat angles P-C4'-P energy: -80.312 tors. eta vs tors. theta energy: -103.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -865.072648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.072648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.072648 (E_RNA) where: Base-Base interactions energy: -424.456 where: short stacking energy: -246.594 Base-Backbone interact. energy: 5.702 local terms energy: -446.318172 where: bonds (distance) C4'-P energy: -129.969 bonds (distance) P-C4' energy: -114.914 flat angles C4'-P-C4' energy: -134.384 flat angles P-C4'-P energy: -55.985 tors. eta vs tors. theta energy: -11.066 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: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -3101.193828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.193828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.193828 (E_RNA) where: Base-Base interactions energy: -2173.759 where: short stacking energy: -935.446 Base-Backbone interact. energy: -4.293 local terms energy: -923.141601 where: bonds (distance) C4'-P energy: -154.361 bonds (distance) P-C4' energy: -171.071 flat angles C4'-P-C4' energy: -184.530 flat angles P-C4'-P energy: -137.307 tors. eta vs tors. theta energy: -275.873 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: 5 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2997.101230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.101230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.101230 (E_RNA) where: Base-Base interactions energy: -2084.066 where: short stacking energy: -936.858 Base-Backbone interact. energy: -1.174 local terms energy: -911.861557 where: bonds (distance) C4'-P energy: -146.796 bonds (distance) P-C4' energy: -162.567 flat angles C4'-P-C4' energy: -189.248 flat angles P-C4'-P energy: -134.185 tors. eta vs tors. theta energy: -279.065 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: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2856.942602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.942602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.942602 (E_RNA) where: Base-Base interactions energy: -1969.605 where: short stacking energy: -862.976 Base-Backbone interact. energy: -4.256 local terms energy: -883.081005 where: bonds (distance) C4'-P energy: -152.137 bonds (distance) P-C4' energy: -143.196 flat angles C4'-P-C4' energy: -197.471 flat angles P-C4'-P energy: -136.926 tors. eta vs tors. theta energy: -253.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2756.968202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.968202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.968202 (E_RNA) where: Base-Base interactions energy: -1924.976 where: short stacking energy: -803.697 Base-Backbone interact. energy: -5.072 local terms energy: -826.920675 where: bonds (distance) C4'-P energy: -144.401 bonds (distance) P-C4' energy: -152.130 flat angles C4'-P-C4' energy: -176.606 flat angles P-C4'-P energy: -128.617 tors. eta vs tors. theta energy: -225.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2620.776788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.776788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.776788 (E_RNA) where: Base-Base interactions energy: -1833.756 where: short stacking energy: -819.363 Base-Backbone interact. energy: -0.086 local terms energy: -786.934737 where: bonds (distance) C4'-P energy: -129.902 bonds (distance) P-C4' energy: -133.275 flat angles C4'-P-C4' energy: -178.003 flat angles P-C4'-P energy: -104.825 tors. eta vs tors. theta energy: -240.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2520.498289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.498289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.498289 (E_RNA) where: Base-Base interactions energy: -1740.605 where: short stacking energy: -730.844 Base-Backbone interact. energy: -3.478 local terms energy: -776.415337 where: bonds (distance) C4'-P energy: -140.013 bonds (distance) P-C4' energy: -146.559 flat angles C4'-P-C4' energy: -168.408 flat angles P-C4'-P energy: -111.678 tors. eta vs tors. theta energy: -209.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -2398.698809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.698809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.698809 (E_RNA) where: Base-Base interactions energy: -1670.012 where: short stacking energy: -718.514 Base-Backbone interact. energy: -0.225 local terms energy: -728.461619 where: bonds (distance) C4'-P energy: -138.387 bonds (distance) P-C4' energy: -130.393 flat angles C4'-P-C4' energy: -168.901 flat angles P-C4'-P energy: -102.559 tors. eta vs tors. theta energy: -188.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -2159.246993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.246993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.246993 (E_RNA) where: Base-Base interactions energy: -1484.089 where: short stacking energy: -681.199 Base-Backbone interact. energy: -0.201 local terms energy: -674.956627 where: bonds (distance) C4'-P energy: -141.832 bonds (distance) P-C4' energy: -133.730 flat angles C4'-P-C4' energy: -148.312 flat angles P-C4'-P energy: -76.100 tors. eta vs tors. theta energy: -174.983 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: 9 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1472.414690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.414690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.414690 (E_RNA) where: Base-Base interactions energy: -904.674 where: short stacking energy: -438.583 Base-Backbone interact. energy: 1.181 local terms energy: -568.921942 where: bonds (distance) C4'-P energy: -125.752 bonds (distance) P-C4' energy: -147.944 flat angles C4'-P-C4' energy: -144.662 flat angles P-C4'-P energy: -69.062 tors. eta vs tors. theta energy: -81.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -961.338856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.338856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.338856 (E_RNA) where: Base-Base interactions energy: -489.561 where: short stacking energy: -275.792 Base-Backbone interact. energy: 2.955 local terms energy: -474.732757 where: bonds (distance) C4'-P energy: -129.160 bonds (distance) P-C4' energy: -137.976 flat angles C4'-P-C4' energy: -130.868 flat angles P-C4'-P energy: -64.975 tors. eta vs tors. theta energy: -11.754 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: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3085.781623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.781623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.781623 (E_RNA) where: Base-Base interactions energy: -2157.685 where: short stacking energy: -948.956 Base-Backbone interact. energy: 1.037 local terms energy: -929.133372 where: bonds (distance) C4'-P energy: -166.137 bonds (distance) P-C4' energy: -166.924 flat angles C4'-P-C4' energy: -188.922 flat angles P-C4'-P energy: -135.116 tors. eta vs tors. theta energy: -272.035 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: 5 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2968.554788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.554788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.554788 (E_RNA) where: Base-Base interactions energy: -2044.429 where: short stacking energy: -921.478 Base-Backbone interact. energy: -1.956 local terms energy: -922.169819 where: bonds (distance) C4'-P energy: -165.744 bonds (distance) P-C4' energy: -155.826 flat angles C4'-P-C4' energy: -195.496 flat angles P-C4'-P energy: -119.262 tors. eta vs tors. theta energy: -285.842 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: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2835.601041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.601041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.601041 (E_RNA) where: Base-Base interactions energy: -1937.195 where: short stacking energy: -836.122 Base-Backbone interact. energy: -4.329 local terms energy: -894.076985 where: bonds (distance) C4'-P energy: -175.022 bonds (distance) P-C4' energy: -144.180 flat angles C4'-P-C4' energy: -197.055 flat angles P-C4'-P energy: -127.718 tors. eta vs tors. theta energy: -250.102 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: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2798.377607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.377607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.377607 (E_RNA) where: Base-Base interactions energy: -1953.590 where: short stacking energy: -856.557 Base-Backbone interact. energy: -5.714 local terms energy: -839.074096 where: bonds (distance) C4'-P energy: -139.291 bonds (distance) P-C4' energy: -156.256 flat angles C4'-P-C4' energy: -183.212 flat angles P-C4'-P energy: -112.258 tors. eta vs tors. theta energy: -248.057 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: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2685.297014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.297014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.297014 (E_RNA) where: Base-Base interactions energy: -1877.870 where: short stacking energy: -822.114 Base-Backbone interact. energy: -2.202 local terms energy: -805.224208 where: bonds (distance) C4'-P energy: -138.541 bonds (distance) P-C4' energy: -150.686 flat angles C4'-P-C4' energy: -173.253 flat angles P-C4'-P energy: -99.944 tors. eta vs tors. theta energy: -242.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2483.140369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.140369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.140369 (E_RNA) where: Base-Base interactions energy: -1736.777 where: short stacking energy: -791.579 Base-Backbone interact. energy: -1.741 local terms energy: -744.622772 where: bonds (distance) C4'-P energy: -137.621 bonds (distance) P-C4' energy: -129.222 flat angles C4'-P-C4' energy: -160.990 flat angles P-C4'-P energy: -101.847 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: 7, replica: 8 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2425.083681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.083681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.083681 (E_RNA) where: Base-Base interactions energy: -1674.570 where: short stacking energy: -719.905 Base-Backbone interact. energy: -1.711 local terms energy: -748.801994 where: bonds (distance) C4'-P energy: -137.141 bonds (distance) P-C4' energy: -145.967 flat angles C4'-P-C4' energy: -166.654 flat angles P-C4'-P energy: -97.089 tors. eta vs tors. theta energy: -201.950 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: 8, replica: 6 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -2218.505615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.505615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.505615 (E_RNA) where: Base-Base interactions energy: -1525.507 where: short stacking energy: -691.170 Base-Backbone interact. energy: -0.101 local terms energy: -692.896867 where: bonds (distance) C4'-P energy: -136.596 bonds (distance) P-C4' energy: -128.340 flat angles C4'-P-C4' energy: -157.949 flat angles P-C4'-P energy: -87.054 tors. eta vs tors. theta energy: -182.959 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: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1454.444300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.444300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.444300 (E_RNA) where: Base-Base interactions energy: -940.140 where: short stacking energy: -448.072 Base-Backbone interact. energy: 2.026 local terms energy: -516.330107 where: bonds (distance) C4'-P energy: -132.565 bonds (distance) P-C4' energy: -125.057 flat angles C4'-P-C4' energy: -127.302 flat angles P-C4'-P energy: -70.422 tors. eta vs tors. theta energy: -60.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1025.425998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.425998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.425998 (E_RNA) where: Base-Base interactions energy: -569.580 where: short stacking energy: -315.668 Base-Backbone interact. energy: -3.836 local terms energy: -452.010199 where: bonds (distance) C4'-P energy: -111.716 bonds (distance) P-C4' energy: -130.355 flat angles C4'-P-C4' energy: -101.393 flat angles P-C4'-P energy: -78.102 tors. eta vs tors. theta energy: -30.445 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: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -3076.957789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.957789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.957789 (E_RNA) where: Base-Base interactions energy: -2147.024 where: short stacking energy: -926.849 Base-Backbone interact. energy: -2.473 local terms energy: -927.460974 where: bonds (distance) C4'-P energy: -167.821 bonds (distance) P-C4' energy: -152.338 flat angles C4'-P-C4' energy: -191.865 flat angles P-C4'-P energy: -144.706 tors. eta vs tors. theta energy: -270.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2981.706925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.706925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.706925 (E_RNA) where: Base-Base interactions energy: -2050.598 where: short stacking energy: -904.752 Base-Backbone interact. energy: 0.321 local terms energy: -931.429439 where: bonds (distance) C4'-P energy: -172.540 bonds (distance) P-C4' energy: -167.514 flat angles C4'-P-C4' energy: -183.280 flat angles P-C4'-P energy: -129.290 tors. eta vs tors. theta energy: -278.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2803.589212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.589212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.589212 (E_RNA) where: Base-Base interactions energy: -1962.243 where: short stacking energy: -836.324 Base-Backbone interact. energy: -2.511 local terms energy: -838.835362 where: bonds (distance) C4'-P energy: -153.413 bonds (distance) P-C4' energy: -147.086 flat angles C4'-P-C4' energy: -161.486 flat angles P-C4'-P energy: -123.622 tors. eta vs tors. theta energy: -253.227 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: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2778.650101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.650101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.650101 (E_RNA) where: Base-Base interactions energy: -1930.197 where: short stacking energy: -827.115 Base-Backbone interact. energy: -4.333 local terms energy: -844.119940 where: bonds (distance) C4'-P energy: -162.413 bonds (distance) P-C4' energy: -144.792 flat angles C4'-P-C4' energy: -184.442 flat angles P-C4'-P energy: -114.273 tors. eta vs tors. theta energy: -238.200 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: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2631.440438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.440438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.440438 (E_RNA) where: Base-Base interactions energy: -1845.088 where: short stacking energy: -817.847 Base-Backbone interact. energy: -4.411 local terms energy: -781.941676 where: bonds (distance) C4'-P energy: -130.486 bonds (distance) P-C4' energy: -146.407 flat angles C4'-P-C4' energy: -178.595 flat angles P-C4'-P energy: -95.340 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: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2461.741521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.741521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.741521 (E_RNA) where: Base-Base interactions energy: -1675.339 where: short stacking energy: -758.372 Base-Backbone interact. energy: -2.975 local terms energy: -783.428061 where: bonds (distance) C4'-P energy: -148.747 bonds (distance) P-C4' energy: -142.886 flat angles C4'-P-C4' energy: -174.575 flat angles P-C4'-P energy: -108.492 tors. eta vs tors. theta energy: -208.728 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: 1 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2462.257207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.257207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.257207 (E_RNA) where: Base-Base interactions energy: -1687.579 where: short stacking energy: -753.853 Base-Backbone interact. energy: -2.535 local terms energy: -772.142764 where: bonds (distance) C4'-P energy: -138.926 bonds (distance) P-C4' energy: -154.736 flat angles C4'-P-C4' energy: -169.471 flat angles P-C4'-P energy: -94.487 tors. eta vs tors. theta energy: -214.523 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: 6 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -2106.773790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2106.773790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2106.773790 (E_RNA) where: Base-Base interactions energy: -1402.774 where: short stacking energy: -623.349 Base-Backbone interact. energy: -1.471 local terms energy: -702.528416 where: bonds (distance) C4'-P energy: -133.857 bonds (distance) P-C4' energy: -162.318 flat angles C4'-P-C4' energy: -140.658 flat angles P-C4'-P energy: -98.292 tors. eta vs tors. theta energy: -167.404 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: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1556.085236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.085236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.085236 (E_RNA) where: Base-Base interactions energy: -1007.700 where: short stacking energy: -450.110 Base-Backbone interact. energy: -0.585 local terms energy: -547.800759 where: bonds (distance) C4'-P energy: -146.531 bonds (distance) P-C4' energy: -143.697 flat angles C4'-P-C4' energy: -124.245 flat angles P-C4'-P energy: -69.329 tors. eta vs tors. theta energy: -63.999 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: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -940.978971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.978971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.978971 (E_RNA) where: Base-Base interactions energy: -494.406 where: short stacking energy: -248.647 Base-Backbone interact. energy: 5.977 local terms energy: -452.550182 where: bonds (distance) C4'-P energy: -126.218 bonds (distance) P-C4' energy: -123.580 flat angles C4'-P-C4' energy: -131.540 flat angles P-C4'-P energy: -85.131 tors. eta vs tors. theta energy: 13.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -3091.747590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.747590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.747590 (E_RNA) where: Base-Base interactions energy: -2155.981 where: short stacking energy: -942.839 Base-Backbone interact. energy: -2.854 local terms energy: -932.912313 where: bonds (distance) C4'-P energy: -178.966 bonds (distance) P-C4' energy: -167.506 flat angles C4'-P-C4' energy: -197.127 flat angles P-C4'-P energy: -126.001 tors. eta vs tors. theta energy: -263.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2991.206794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.206794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.206794 (E_RNA) where: Base-Base interactions energy: -2036.535 where: short stacking energy: -931.747 Base-Backbone interact. energy: -1.652 local terms energy: -953.020142 where: bonds (distance) C4'-P energy: -170.594 bonds (distance) P-C4' energy: -173.193 flat angles C4'-P-C4' energy: -193.996 flat angles P-C4'-P energy: -134.952 tors. eta vs tors. theta energy: -280.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2845.918997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.918997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.918997 (E_RNA) where: Base-Base interactions energy: -1936.714 where: short stacking energy: -861.243 Base-Backbone interact. energy: -4.100 local terms energy: -905.104671 where: bonds (distance) C4'-P energy: -152.702 bonds (distance) P-C4' energy: -169.681 flat angles C4'-P-C4' energy: -204.535 flat angles P-C4'-P energy: -121.274 tors. eta vs tors. theta energy: -256.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2828.785557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.785557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.785557 (E_RNA) where: Base-Base interactions energy: -1951.579 where: short stacking energy: -848.410 Base-Backbone interact. energy: -7.226 local terms energy: -869.980663 where: bonds (distance) C4'-P energy: -160.885 bonds (distance) P-C4' energy: -150.172 flat angles C4'-P-C4' energy: -182.001 flat angles P-C4'-P energy: -125.410 tors. eta vs tors. theta energy: -251.514 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: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2617.867161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.867161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.867161 (E_RNA) where: Base-Base interactions energy: -1783.045 where: short stacking energy: -823.800 Base-Backbone interact. energy: -2.796 local terms energy: -832.025859 where: bonds (distance) C4'-P energy: -137.679 bonds (distance) P-C4' energy: -165.206 flat angles C4'-P-C4' energy: -181.825 flat angles P-C4'-P energy: -120.706 tors. eta vs tors. theta energy: -226.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2535.133903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.133903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.133903 (E_RNA) where: Base-Base interactions energy: -1751.162 where: short stacking energy: -774.778 Base-Backbone interact. energy: -1.500 local terms energy: -782.472005 where: bonds (distance) C4'-P energy: -145.237 bonds (distance) P-C4' energy: -137.827 flat angles C4'-P-C4' energy: -165.591 flat angles P-C4'-P energy: -108.465 tors. eta vs tors. theta energy: -225.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2497.274395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.274395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.274395 (E_RNA) where: Base-Base interactions energy: -1738.737 where: short stacking energy: -750.994 Base-Backbone interact. energy: -2.970 local terms energy: -755.567210 where: bonds (distance) C4'-P energy: -125.883 bonds (distance) P-C4' energy: -139.216 flat angles C4'-P-C4' energy: -176.665 flat angles P-C4'-P energy: -86.992 tors. eta vs tors. theta energy: -226.813 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: 8, replica: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -2132.020213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.020213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.020213 (E_RNA) where: Base-Base interactions energy: -1448.422 where: short stacking energy: -629.133 Base-Backbone interact. energy: 0.633 local terms energy: -684.230811 where: bonds (distance) C4'-P energy: -137.826 bonds (distance) P-C4' energy: -122.306 flat angles C4'-P-C4' energy: -153.794 flat angles P-C4'-P energy: -96.693 tors. eta vs tors. theta energy: -173.612 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: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1545.240515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.240515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.240515 (E_RNA) where: Base-Base interactions energy: -995.968 where: short stacking energy: -435.559 Base-Backbone interact. energy: -3.483 local terms energy: -545.789700 where: bonds (distance) C4'-P energy: -137.897 bonds (distance) P-C4' energy: -130.035 flat angles C4'-P-C4' energy: -116.207 flat angles P-C4'-P energy: -84.816 tors. eta vs tors. theta energy: -76.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -965.308654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.308654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.308654 (E_RNA) where: Base-Base interactions energy: -539.180 where: short stacking energy: -289.088 Base-Backbone interact. energy: 2.118 local terms energy: -428.247010 where: bonds (distance) C4'-P energy: -135.077 bonds (distance) P-C4' energy: -158.079 flat angles C4'-P-C4' energy: -96.671 flat angles P-C4'-P energy: -56.725 tors. eta vs tors. theta energy: 18.306 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: 143 Temperature: 0.900000 Total energy: -3090.044241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.044241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.044241 (E_RNA) where: Base-Base interactions energy: -2181.508 where: short stacking energy: -942.173 Base-Backbone interact. energy: -4.898 local terms energy: -903.638016 where: bonds (distance) C4'-P energy: -158.261 bonds (distance) P-C4' energy: -161.021 flat angles C4'-P-C4' energy: -199.166 flat angles P-C4'-P energy: -118.535 tors. eta vs tors. theta energy: -266.655 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: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2983.903251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.903251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.903251 (E_RNA) where: Base-Base interactions energy: -2055.958 where: short stacking energy: -907.969 Base-Backbone interact. energy: -3.218 local terms energy: -924.727154 where: bonds (distance) C4'-P energy: -172.904 bonds (distance) P-C4' energy: -172.220 flat angles C4'-P-C4' energy: -177.333 flat angles P-C4'-P energy: -116.516 tors. eta vs tors. theta energy: -285.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2827.878096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.878096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.878096 (E_RNA) where: Base-Base interactions energy: -1955.506 where: short stacking energy: -858.278 Base-Backbone interact. energy: -1.134 local terms energy: -871.237702 where: bonds (distance) C4'-P energy: -165.309 bonds (distance) P-C4' energy: -145.695 flat angles C4'-P-C4' energy: -182.056 flat angles P-C4'-P energy: -127.879 tors. eta vs tors. theta energy: -250.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2813.199185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.199185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.199185 (E_RNA) where: Base-Base interactions energy: -1979.971 where: short stacking energy: -831.687 Base-Backbone interact. energy: -4.016 local terms energy: -829.212616 where: bonds (distance) C4'-P energy: -157.231 bonds (distance) P-C4' energy: -143.076 flat angles C4'-P-C4' energy: -176.385 flat angles P-C4'-P energy: -112.887 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: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2652.823185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.823185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.823185 (E_RNA) where: Base-Base interactions energy: -1832.223 where: short stacking energy: -805.715 Base-Backbone interact. energy: -1.567 local terms energy: -819.033867 where: bonds (distance) C4'-P energy: -164.051 bonds (distance) P-C4' energy: -131.796 flat angles C4'-P-C4' energy: -183.247 flat angles P-C4'-P energy: -112.284 tors. eta vs tors. theta energy: -227.656 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: 8 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2590.944468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.944468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.944468 (E_RNA) where: Base-Base interactions energy: -1825.656 where: short stacking energy: -789.827 Base-Backbone interact. energy: -1.897 local terms energy: -763.391533 where: bonds (distance) C4'-P energy: -138.853 bonds (distance) P-C4' energy: -121.067 flat angles C4'-P-C4' energy: -166.734 flat angles P-C4'-P energy: -109.938 tors. eta vs tors. theta energy: -226.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2487.302950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.302950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.302950 (E_RNA) where: Base-Base interactions energy: -1738.816 where: short stacking energy: -766.601 Base-Backbone interact. energy: -3.109 local terms energy: -745.377110 where: bonds (distance) C4'-P energy: -134.018 bonds (distance) P-C4' energy: -134.776 flat angles C4'-P-C4' energy: -172.399 flat angles P-C4'-P energy: -101.983 tors. eta vs tors. theta energy: -202.201 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: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -2190.738270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.738270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.738270 (E_RNA) where: Base-Base interactions energy: -1512.293 where: short stacking energy: -655.816 Base-Backbone interact. energy: 0.315 local terms energy: -678.760828 where: bonds (distance) C4'-P energy: -128.134 bonds (distance) P-C4' energy: -144.293 flat angles C4'-P-C4' energy: -160.749 flat angles P-C4'-P energy: -79.346 tors. eta vs tors. theta energy: -166.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1587.763121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.763121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.763121 (E_RNA) where: Base-Base interactions energy: -1041.703 where: short stacking energy: -475.964 Base-Backbone interact. energy: -0.546 local terms energy: -545.514479 where: bonds (distance) C4'-P energy: -126.122 bonds (distance) P-C4' energy: -120.088 flat angles C4'-P-C4' energy: -125.443 flat angles P-C4'-P energy: -82.509 tors. eta vs tors. theta energy: -91.352 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: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1041.761296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.761296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.761296 (E_RNA) where: Base-Base interactions energy: -555.366 where: short stacking energy: -297.307 Base-Backbone interact. energy: 3.841 local terms energy: -490.236294 where: bonds (distance) C4'-P energy: -134.985 bonds (distance) P-C4' energy: -139.948 flat angles C4'-P-C4' energy: -133.236 flat angles P-C4'-P energy: -58.524 tors. eta vs tors. theta energy: -23.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -3089.179957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.179957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.179957 (E_RNA) where: Base-Base interactions energy: -2137.329 where: short stacking energy: -933.269 Base-Backbone interact. energy: 3.383 local terms energy: -955.233411 where: bonds (distance) C4'-P energy: -169.148 bonds (distance) P-C4' energy: -182.228 flat angles C4'-P-C4' energy: -195.037 flat angles P-C4'-P energy: -131.210 tors. eta vs tors. theta energy: -277.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2980.466503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.466503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.466503 (E_RNA) where: Base-Base interactions energy: -2076.803 where: short stacking energy: -905.551 Base-Backbone interact. energy: -3.385 local terms energy: -900.278366 where: bonds (distance) C4'-P energy: -146.068 bonds (distance) P-C4' energy: -168.100 flat angles C4'-P-C4' energy: -193.904 flat angles P-C4'-P energy: -130.610 tors. eta vs tors. theta energy: -261.597 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: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2820.269774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.269774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.269774 (E_RNA) where: Base-Base interactions energy: -1960.271 where: short stacking energy: -881.114 Base-Backbone interact. energy: -3.024 local terms energy: -856.974638 where: bonds (distance) C4'-P energy: -156.812 bonds (distance) P-C4' energy: -158.087 flat angles C4'-P-C4' energy: -173.293 flat angles P-C4'-P energy: -112.916 tors. eta vs tors. theta energy: -255.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2776.591385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.591385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.591385 (E_RNA) where: Base-Base interactions energy: -1943.191 where: short stacking energy: -805.724 Base-Backbone interact. energy: -5.148 local terms energy: -828.252936 where: bonds (distance) C4'-P energy: -138.335 bonds (distance) P-C4' energy: -163.700 flat angles C4'-P-C4' energy: -186.017 flat angles P-C4'-P energy: -98.358 tors. eta vs tors. theta energy: -241.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2658.672550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.672550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.672550 (E_RNA) where: Base-Base interactions energy: -1824.266 where: short stacking energy: -821.798 Base-Backbone interact. energy: -0.391 local terms energy: -834.015977 where: bonds (distance) C4'-P energy: -140.580 bonds (distance) P-C4' energy: -165.075 flat angles C4'-P-C4' energy: -185.112 flat angles P-C4'-P energy: -108.663 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: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2589.856811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.856811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.856811 (E_RNA) where: Base-Base interactions energy: -1793.592 where: short stacking energy: -800.706 Base-Backbone interact. energy: -4.400 local terms energy: -791.864761 where: bonds (distance) C4'-P energy: -129.975 bonds (distance) P-C4' energy: -146.727 flat angles C4'-P-C4' energy: -173.856 flat angles P-C4'-P energy: -103.767 tors. eta vs tors. theta energy: -237.540 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: 7, replica: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -2441.081886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.081886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.081886 (E_RNA) where: Base-Base interactions energy: -1696.656 where: short stacking energy: -768.086 Base-Backbone interact. energy: -1.692 local terms energy: -742.734345 where: bonds (distance) C4'-P energy: -135.702 bonds (distance) P-C4' energy: -144.368 flat angles C4'-P-C4' energy: -164.221 flat angles P-C4'-P energy: -82.458 tors. eta vs tors. theta energy: -215.984 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: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -2284.925918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.925918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.925918 (E_RNA) where: Base-Base interactions energy: -1552.739 where: short stacking energy: -708.534 Base-Backbone interact. energy: -3.506 local terms energy: -728.680449 where: bonds (distance) C4'-P energy: -114.784 bonds (distance) P-C4' energy: -146.179 flat angles C4'-P-C4' energy: -150.769 flat angles P-C4'-P energy: -109.943 tors. eta vs tors. theta energy: -207.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1617.017160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.017160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.017160 (E_RNA) where: Base-Base interactions energy: -1042.610 where: short stacking energy: -472.900 Base-Backbone interact. energy: 4.460 local terms energy: -578.866419 where: bonds (distance) C4'-P energy: -129.267 bonds (distance) P-C4' energy: -130.406 flat angles C4'-P-C4' energy: -152.461 flat angles P-C4'-P energy: -86.482 tors. eta vs tors. theta energy: -80.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1002.310426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.310426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.310426 (E_RNA) where: Base-Base interactions energy: -552.692 where: short stacking energy: -287.080 Base-Backbone interact. energy: 0.604 local terms energy: -450.222611 where: bonds (distance) C4'-P energy: -135.293 bonds (distance) P-C4' energy: -158.444 flat angles C4'-P-C4' energy: -101.133 flat angles P-C4'-P energy: -52.484 tors. eta vs tors. theta energy: -2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -3087.833326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.833326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.833326 (E_RNA) where: Base-Base interactions energy: -2158.023 where: short stacking energy: -952.202 Base-Backbone interact. energy: 1.254 local terms energy: -931.063806 where: bonds (distance) C4'-P energy: -157.795 bonds (distance) P-C4' energy: -173.791 flat angles C4'-P-C4' energy: -194.334 flat angles P-C4'-P energy: -132.141 tors. eta vs tors. theta energy: -273.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2984.448416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.448416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.448416 (E_RNA) where: Base-Base interactions energy: -2043.142 where: short stacking energy: -910.112 Base-Backbone interact. energy: -0.825 local terms energy: -940.481459 where: bonds (distance) C4'-P energy: -168.563 bonds (distance) P-C4' energy: -171.437 flat angles C4'-P-C4' energy: -185.811 flat angles P-C4'-P energy: -142.684 tors. eta vs tors. theta energy: -271.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2834.943484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.943484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.943484 (E_RNA) where: Base-Base interactions energy: -1983.137 where: short stacking energy: -872.089 Base-Backbone interact. energy: -2.044 local terms energy: -849.761854 where: bonds (distance) C4'-P energy: -144.698 bonds (distance) P-C4' energy: -161.718 flat angles C4'-P-C4' energy: -172.085 flat angles P-C4'-P energy: -125.895 tors. eta vs tors. theta energy: -245.366 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: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2745.595242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.595242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.595242 (E_RNA) where: Base-Base interactions energy: -1898.359 where: short stacking energy: -822.973 Base-Backbone interact. energy: -1.933 local terms energy: -845.303668 where: bonds (distance) C4'-P energy: -147.105 bonds (distance) P-C4' energy: -170.473 flat angles C4'-P-C4' energy: -181.200 flat angles P-C4'-P energy: -115.292 tors. eta vs tors. theta energy: -231.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2695.030362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.030362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.030362 (E_RNA) where: Base-Base interactions energy: -1829.958 where: short stacking energy: -822.728 Base-Backbone interact. energy: 0.875 local terms energy: -865.946845 where: bonds (distance) C4'-P energy: -167.624 bonds (distance) P-C4' energy: -140.250 flat angles C4'-P-C4' energy: -186.557 flat angles P-C4'-P energy: -123.392 tors. eta vs tors. theta energy: -248.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2544.664170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.664170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.664170 (E_RNA) where: Base-Base interactions energy: -1769.686 where: short stacking energy: -779.195 Base-Backbone interact. energy: -5.081 local terms energy: -769.896547 where: bonds (distance) C4'-P energy: -131.859 bonds (distance) P-C4' energy: -142.491 flat angles C4'-P-C4' energy: -161.515 flat angles P-C4'-P energy: -113.732 tors. eta vs tors. theta energy: -220.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2404.653670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.653670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.653670 (E_RNA) where: Base-Base interactions energy: -1663.472 where: short stacking energy: -737.520 Base-Backbone interact. energy: -3.616 local terms energy: -737.565780 where: bonds (distance) C4'-P energy: -132.319 bonds (distance) P-C4' energy: -142.186 flat angles C4'-P-C4' energy: -151.348 flat angles P-C4'-P energy: -88.529 tors. eta vs tors. theta energy: -223.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -2255.069493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.069493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.069493 (E_RNA) where: Base-Base interactions energy: -1577.423 where: short stacking energy: -672.821 Base-Backbone interact. energy: -3.654 local terms energy: -673.992283 where: bonds (distance) C4'-P energy: -127.021 bonds (distance) P-C4' energy: -140.186 flat angles C4'-P-C4' energy: -151.726 flat angles P-C4'-P energy: -80.716 tors. eta vs tors. theta energy: -174.344 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: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1581.696905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.696905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.696905 (E_RNA) where: Base-Base interactions energy: -1017.308 where: short stacking energy: -412.049 Base-Backbone interact. energy: -3.582 local terms energy: -560.807218 where: bonds (distance) C4'-P energy: -133.286 bonds (distance) P-C4' energy: -151.316 flat angles C4'-P-C4' energy: -135.547 flat angles P-C4'-P energy: -62.034 tors. eta vs tors. theta energy: -78.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1068.344102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.344102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.344102 (E_RNA) where: Base-Base interactions energy: -607.355 where: short stacking energy: -301.662 Base-Backbone interact. energy: -1.789 local terms energy: -459.200685 where: bonds (distance) C4'-P energy: -101.129 bonds (distance) P-C4' energy: -143.133 flat angles C4'-P-C4' energy: -118.269 flat angles P-C4'-P energy: -78.315 tors. eta vs tors. theta energy: -18.356 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: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -3083.997728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.997728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.997728 (E_RNA) where: Base-Base interactions energy: -2148.739 where: short stacking energy: -934.538 Base-Backbone interact. energy: -5.334 local terms energy: -929.923902 where: bonds (distance) C4'-P energy: -157.217 bonds (distance) P-C4' energy: -174.420 flat angles C4'-P-C4' energy: -185.517 flat angles P-C4'-P energy: -144.961 tors. eta vs tors. theta energy: -267.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2994.108157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.108157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.108157 (E_RNA) where: Base-Base interactions energy: -2104.241 where: short stacking energy: -963.474 Base-Backbone interact. energy: -5.743 local terms energy: -884.123504 where: bonds (distance) C4'-P energy: -136.314 bonds (distance) P-C4' energy: -151.889 flat angles C4'-P-C4' energy: -202.763 flat angles P-C4'-P energy: -123.683 tors. eta vs tors. theta energy: -269.475 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: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2846.190227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.190227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.190227 (E_RNA) where: Base-Base interactions energy: -1970.243 where: short stacking energy: -877.812 Base-Backbone interact. energy: -0.888 local terms energy: -875.059359 where: bonds (distance) C4'-P energy: -159.190 bonds (distance) P-C4' energy: -163.009 flat angles C4'-P-C4' energy: -182.935 flat angles P-C4'-P energy: -120.371 tors. eta vs tors. theta energy: -249.555 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: 4, replica: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2740.717989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.717989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.717989 (E_RNA) where: Base-Base interactions energy: -1902.274 where: short stacking energy: -824.338 Base-Backbone interact. energy: -4.645 local terms energy: -833.799097 where: bonds (distance) C4'-P energy: -156.188 bonds (distance) P-C4' energy: -156.069 flat angles C4'-P-C4' energy: -173.914 flat angles P-C4'-P energy: -126.430 tors. eta vs tors. theta energy: -221.198 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: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2661.380270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.380270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.380270 (E_RNA) where: Base-Base interactions energy: -1841.178 where: short stacking energy: -793.879 Base-Backbone interact. energy: -3.083 local terms energy: -817.119610 where: bonds (distance) C4'-P energy: -137.242 bonds (distance) P-C4' energy: -151.451 flat angles C4'-P-C4' energy: -170.800 flat angles P-C4'-P energy: -117.344 tors. eta vs tors. theta energy: -240.281 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: 146 Temperature: 1.150000 Total energy: -2540.515397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.515397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.515397 (E_RNA) where: Base-Base interactions energy: -1774.516 where: short stacking energy: -782.319 Base-Backbone interact. energy: -3.164 local terms energy: -762.834659 where: bonds (distance) C4'-P energy: -129.596 bonds (distance) P-C4' energy: -146.409 flat angles C4'-P-C4' energy: -175.639 flat angles P-C4'-P energy: -101.968 tors. eta vs tors. theta energy: -209.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -2403.189999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.189999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.189999 (E_RNA) where: Base-Base interactions energy: -1652.791 where: short stacking energy: -714.859 Base-Backbone interact. energy: -3.833 local terms energy: -746.566087 where: bonds (distance) C4'-P energy: -143.402 bonds (distance) P-C4' energy: -149.665 flat angles C4'-P-C4' energy: -154.234 flat angles P-C4'-P energy: -97.264 tors. eta vs tors. theta energy: -202.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -2204.800410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.800410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.800410 (E_RNA) where: Base-Base interactions energy: -1532.875 where: short stacking energy: -646.209 Base-Backbone interact. energy: -1.066 local terms energy: -670.859740 where: bonds (distance) C4'-P energy: -134.294 bonds (distance) P-C4' energy: -125.561 flat angles C4'-P-C4' energy: -147.565 flat angles P-C4'-P energy: -102.318 tors. eta vs tors. theta energy: -161.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1593.658370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.658370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.658370 (E_RNA) where: Base-Base interactions energy: -1070.998 where: short stacking energy: -497.465 Base-Backbone interact. energy: -0.632 local terms energy: -522.028345 where: bonds (distance) C4'-P energy: -127.416 bonds (distance) P-C4' energy: -102.478 flat angles C4'-P-C4' energy: -124.514 flat angles P-C4'-P energy: -84.334 tors. eta vs tors. theta energy: -83.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1107.217576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.217576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.217576 (E_RNA) where: Base-Base interactions energy: -610.561 where: short stacking energy: -306.680 Base-Backbone interact. energy: 1.901 local terms energy: -498.556974 where: bonds (distance) C4'-P energy: -148.626 bonds (distance) P-C4' energy: -149.850 flat angles C4'-P-C4' energy: -94.651 flat angles P-C4'-P energy: -69.854 tors. eta vs tors. theta energy: -35.575 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: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -3125.592243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.592243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.592243 (E_RNA) where: Base-Base interactions energy: -2187.385 where: short stacking energy: -925.895 Base-Backbone interact. energy: -6.483 local terms energy: -931.724211 where: bonds (distance) C4'-P energy: -163.738 bonds (distance) P-C4' energy: -170.240 flat angles C4'-P-C4' energy: -196.894 flat angles P-C4'-P energy: -129.617 tors. eta vs tors. theta energy: -271.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -3028.347790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.347790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.347790 (E_RNA) where: Base-Base interactions energy: -2091.642 where: short stacking energy: -939.615 Base-Backbone interact. energy: -0.940 local terms energy: -935.765548 where: bonds (distance) C4'-P energy: -151.150 bonds (distance) P-C4' energy: -166.092 flat angles C4'-P-C4' energy: -191.710 flat angles P-C4'-P energy: -141.794 tors. eta vs tors. theta energy: -285.020 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: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2853.990094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.990094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.990094 (E_RNA) where: Base-Base interactions energy: -1968.333 where: short stacking energy: -852.922 Base-Backbone interact. energy: -2.039 local terms energy: -883.617535 where: bonds (distance) C4'-P energy: -141.206 bonds (distance) P-C4' energy: -166.965 flat angles C4'-P-C4' energy: -198.459 flat angles P-C4'-P energy: -131.436 tors. eta vs tors. theta energy: -245.551 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: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2737.552056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.552056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.552056 (E_RNA) where: Base-Base interactions energy: -1909.373 where: short stacking energy: -796.600 Base-Backbone interact. energy: 2.115 local terms energy: -830.293939 where: bonds (distance) C4'-P energy: -154.666 bonds (distance) P-C4' energy: -150.664 flat angles C4'-P-C4' energy: -177.104 flat angles P-C4'-P energy: -125.104 tors. eta vs tors. theta energy: -222.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2654.269072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.269072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.269072 (E_RNA) where: Base-Base interactions energy: -1823.880 where: short stacking energy: -804.001 Base-Backbone interact. energy: -5.193 local terms energy: -825.195567 where: bonds (distance) C4'-P energy: -155.899 bonds (distance) P-C4' energy: -146.091 flat angles C4'-P-C4' energy: -181.494 flat angles P-C4'-P energy: -107.310 tors. eta vs tors. theta energy: -234.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2538.543252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.543252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.543252 (E_RNA) where: Base-Base interactions energy: -1781.589 where: short stacking energy: -781.099 Base-Backbone interact. energy: -3.408 local terms energy: -753.546063 where: bonds (distance) C4'-P energy: -140.662 bonds (distance) P-C4' energy: -144.381 flat angles C4'-P-C4' energy: -145.837 flat angles P-C4'-P energy: -97.532 tors. eta vs tors. theta energy: -225.135 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: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -2363.602457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.602457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.602457 (E_RNA) where: Base-Base interactions energy: -1595.631 where: short stacking energy: -739.219 Base-Backbone interact. energy: -2.424 local terms energy: -765.547020 where: bonds (distance) C4'-P energy: -145.757 bonds (distance) P-C4' energy: -160.812 flat angles C4'-P-C4' energy: -154.365 flat angles P-C4'-P energy: -106.829 tors. eta vs tors. theta energy: -197.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -2241.290947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.290947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.290947 (E_RNA) where: Base-Base interactions energy: -1532.437 where: short stacking energy: -683.143 Base-Backbone interact. energy: -2.877 local terms energy: -705.976269 where: bonds (distance) C4'-P energy: -130.896 bonds (distance) P-C4' energy: -139.407 flat angles C4'-P-C4' energy: -163.872 flat angles P-C4'-P energy: -88.935 tors. eta vs tors. theta energy: -182.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1563.352847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.352847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.352847 (E_RNA) where: Base-Base interactions energy: -1020.752 where: short stacking energy: -461.732 Base-Backbone interact. energy: -1.483 local terms energy: -541.118034 where: bonds (distance) C4'-P energy: -139.621 bonds (distance) P-C4' energy: -131.330 flat angles C4'-P-C4' energy: -112.405 flat angles P-C4'-P energy: -77.013 tors. eta vs tors. theta energy: -80.748 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: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1091.545152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.545152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.545152 (E_RNA) where: Base-Base interactions energy: -617.073 where: short stacking energy: -309.603 Base-Backbone interact. energy: -3.520 local terms energy: -470.951778 where: bonds (distance) C4'-P energy: -126.544 bonds (distance) P-C4' energy: -164.756 flat angles C4'-P-C4' energy: -122.141 flat angles P-C4'-P energy: -38.118 tors. eta vs tors. theta energy: -19.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -3116.643721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.643721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.643721 (E_RNA) where: Base-Base interactions energy: -2182.617 where: short stacking energy: -926.803 Base-Backbone interact. energy: -3.479 local terms energy: -930.547636 where: bonds (distance) C4'-P energy: -150.300 bonds (distance) P-C4' energy: -177.373 flat angles C4'-P-C4' energy: -196.229 flat angles P-C4'-P energy: -136.142 tors. eta vs tors. theta energy: -270.505 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: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2995.714936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.714936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.714936 (E_RNA) where: Base-Base interactions energy: -2082.424 where: short stacking energy: -933.589 Base-Backbone interact. energy: -4.213 local terms energy: -909.077997 where: bonds (distance) C4'-P energy: -161.633 bonds (distance) P-C4' energy: -151.804 flat angles C4'-P-C4' energy: -196.167 flat angles P-C4'-P energy: -123.212 tors. eta vs tors. theta energy: -276.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2865.067469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.067469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.067469 (E_RNA) where: Base-Base interactions energy: -1977.355 where: short stacking energy: -827.584 Base-Backbone interact. energy: -3.331 local terms energy: -884.381542 where: bonds (distance) C4'-P energy: -155.944 bonds (distance) P-C4' energy: -166.791 flat angles C4'-P-C4' energy: -187.403 flat angles P-C4'-P energy: -121.550 tors. eta vs tors. theta energy: -252.693 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: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2757.141187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.141187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.141187 (E_RNA) where: Base-Base interactions energy: -1915.932 where: short stacking energy: -862.126 Base-Backbone interact. energy: -1.842 local terms energy: -839.367156 where: bonds (distance) C4'-P energy: -154.156 bonds (distance) P-C4' energy: -156.905 flat angles C4'-P-C4' energy: -179.074 flat angles P-C4'-P energy: -100.820 tors. eta vs tors. theta energy: -248.412 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: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2645.891956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.891956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.891956 (E_RNA) where: Base-Base interactions energy: -1817.406 where: short stacking energy: -818.620 Base-Backbone interact. energy: 0.964 local terms energy: -829.450080 where: bonds (distance) C4'-P energy: -144.053 bonds (distance) P-C4' energy: -145.610 flat angles C4'-P-C4' energy: -178.405 flat angles P-C4'-P energy: -124.310 tors. eta vs tors. theta energy: -237.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2565.290160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.290160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.290160 (E_RNA) where: Base-Base interactions energy: -1785.609 where: short stacking energy: -780.746 Base-Backbone interact. energy: -4.070 local terms energy: -775.611025 where: bonds (distance) C4'-P energy: -127.903 bonds (distance) P-C4' energy: -156.423 flat angles C4'-P-C4' energy: -170.184 flat angles P-C4'-P energy: -86.586 tors. eta vs tors. theta energy: -234.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -2432.224599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.224599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.224599 (E_RNA) where: Base-Base interactions energy: -1648.344 where: short stacking energy: -725.231 Base-Backbone interact. energy: -2.468 local terms energy: -781.412606 where: bonds (distance) C4'-P energy: -137.602 bonds (distance) P-C4' energy: -159.998 flat angles C4'-P-C4' energy: -171.142 flat angles P-C4'-P energy: -104.784 tors. eta vs tors. theta energy: -207.887 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: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -2196.124169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.124169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.124169 (E_RNA) where: Base-Base interactions energy: -1464.863 where: short stacking energy: -668.158 Base-Backbone interact. energy: -3.087 local terms energy: -728.174128 where: bonds (distance) C4'-P energy: -124.849 bonds (distance) P-C4' energy: -156.725 flat angles C4'-P-C4' energy: -148.137 flat angles P-C4'-P energy: -114.162 tors. eta vs tors. theta energy: -184.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1661.311045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.311045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.311045 (E_RNA) where: Base-Base interactions energy: -1073.955 where: short stacking energy: -458.186 Base-Backbone interact. energy: 0.412 local terms energy: -587.768102 where: bonds (distance) C4'-P energy: -129.926 bonds (distance) P-C4' energy: -137.915 flat angles C4'-P-C4' energy: -142.576 flat angles P-C4'-P energy: -89.307 tors. eta vs tors. theta energy: -88.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1150.832129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.832129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.832129 (E_RNA) where: Base-Base interactions energy: -679.893 where: short stacking energy: -348.943 Base-Backbone interact. energy: 1.623 local terms energy: -472.562009 where: bonds (distance) C4'-P energy: -128.606 bonds (distance) P-C4' energy: -143.276 flat angles C4'-P-C4' energy: -91.421 flat angles P-C4'-P energy: -76.249 tors. eta vs tors. theta energy: -33.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -3121.821283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.821283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.821283 (E_RNA) where: Base-Base interactions energy: -2177.021 where: short stacking energy: -939.308 Base-Backbone interact. energy: -3.826 local terms energy: -940.974797 where: bonds (distance) C4'-P energy: -157.194 bonds (distance) P-C4' energy: -169.015 flat angles C4'-P-C4' energy: -200.331 flat angles P-C4'-P energy: -142.062 tors. eta vs tors. theta energy: -272.372 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: 2, replica: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2967.435744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.435744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.435744 (E_RNA) where: Base-Base interactions energy: -2041.979 where: short stacking energy: -927.579 Base-Backbone interact. energy: -4.659 local terms energy: -920.797489 where: bonds (distance) C4'-P energy: -162.905 bonds (distance) P-C4' energy: -175.098 flat angles C4'-P-C4' energy: -175.831 flat angles P-C4'-P energy: -129.796 tors. eta vs tors. theta energy: -277.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2848.572218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.572218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.572218 (E_RNA) where: Base-Base interactions energy: -1962.448 where: short stacking energy: -839.238 Base-Backbone interact. energy: -6.985 local terms energy: -879.138894 where: bonds (distance) C4'-P energy: -160.789 bonds (distance) P-C4' energy: -161.143 flat angles C4'-P-C4' energy: -185.373 flat angles P-C4'-P energy: -121.548 tors. eta vs tors. theta energy: -250.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2766.437051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.437051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.437051 (E_RNA) where: Base-Base interactions energy: -1925.627 where: short stacking energy: -868.076 Base-Backbone interact. energy: -0.217 local terms energy: -840.592345 where: bonds (distance) C4'-P energy: -137.770 bonds (distance) P-C4' energy: -150.077 flat angles C4'-P-C4' energy: -171.745 flat angles P-C4'-P energy: -132.785 tors. eta vs tors. theta energy: -248.215 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: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2642.747856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.747856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.747856 (E_RNA) where: Base-Base interactions energy: -1823.776 where: short stacking energy: -799.272 Base-Backbone interact. energy: -1.711 local terms energy: -817.260736 where: bonds (distance) C4'-P energy: -136.422 bonds (distance) P-C4' energy: -153.193 flat angles C4'-P-C4' energy: -170.165 flat angles P-C4'-P energy: -124.925 tors. eta vs tors. theta energy: -232.556 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: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2592.819867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.819867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.819867 (E_RNA) where: Base-Base interactions energy: -1796.044 where: short stacking energy: -793.890 Base-Backbone interact. energy: -2.029 local terms energy: -794.746808 where: bonds (distance) C4'-P energy: -152.993 bonds (distance) P-C4' energy: -139.024 flat angles C4'-P-C4' energy: -169.976 flat angles P-C4'-P energy: -105.435 tors. eta vs tors. theta energy: -227.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -2433.551913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.551913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.551913 (E_RNA) where: Base-Base interactions energy: -1688.596 where: short stacking energy: -782.458 Base-Backbone interact. energy: -1.291 local terms energy: -743.665103 where: bonds (distance) C4'-P energy: -151.643 bonds (distance) P-C4' energy: -119.540 flat angles C4'-P-C4' energy: -158.947 flat angles P-C4'-P energy: -92.139 tors. eta vs tors. theta energy: -221.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -2135.247580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.247580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.247580 (E_RNA) where: Base-Base interactions energy: -1464.682 where: short stacking energy: -621.989 Base-Backbone interact. energy: -2.678 local terms energy: -667.887832 where: bonds (distance) C4'-P energy: -133.399 bonds (distance) P-C4' energy: -136.427 flat angles C4'-P-C4' energy: -146.917 flat angles P-C4'-P energy: -85.588 tors. eta vs tors. theta energy: -165.557 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: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1543.380876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.380876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.380876 (E_RNA) where: Base-Base interactions energy: -1004.769 where: short stacking energy: -445.194 Base-Backbone interact. energy: 8.599 local terms energy: -547.211645 where: bonds (distance) C4'-P energy: -135.246 bonds (distance) P-C4' energy: -136.215 flat angles C4'-P-C4' energy: -156.023 flat angles P-C4'-P energy: -70.280 tors. eta vs tors. theta energy: -49.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1149.216866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.216866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.216866 (E_RNA) where: Base-Base interactions energy: -682.286 where: short stacking energy: -342.404 Base-Backbone interact. energy: 5.428 local terms energy: -472.358762 where: bonds (distance) C4'-P energy: -113.775 bonds (distance) P-C4' energy: -149.233 flat angles C4'-P-C4' energy: -128.208 flat angles P-C4'-P energy: -55.882 tors. eta vs tors. theta energy: -25.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -3100.585408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.585408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.585408 (E_RNA) where: Base-Base interactions energy: -2171.494 where: short stacking energy: -923.741 Base-Backbone interact. energy: -2.798 local terms energy: -926.293340 where: bonds (distance) C4'-P energy: -168.421 bonds (distance) P-C4' energy: -148.326 flat angles C4'-P-C4' energy: -195.162 flat angles P-C4'-P energy: -143.220 tors. eta vs tors. theta energy: -271.164 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: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2952.292015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.292015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.292015 (E_RNA) where: Base-Base interactions energy: -2002.018 where: short stacking energy: -873.956 Base-Backbone interact. energy: -2.778 local terms energy: -947.496095 where: bonds (distance) C4'-P energy: -173.913 bonds (distance) P-C4' energy: -173.979 flat angles C4'-P-C4' energy: -197.198 flat angles P-C4'-P energy: -129.918 tors. eta vs tors. theta energy: -272.488 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: 7 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2853.427644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.427644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.427644 (E_RNA) where: Base-Base interactions energy: -1988.567 where: short stacking energy: -856.732 Base-Backbone interact. energy: -1.826 local terms energy: -863.034408 where: bonds (distance) C4'-P energy: -145.753 bonds (distance) P-C4' energy: -175.463 flat angles C4'-P-C4' energy: -188.631 flat angles P-C4'-P energy: -105.161 tors. eta vs tors. theta energy: -248.026 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: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2836.889006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.889006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.889006 (E_RNA) where: Base-Base interactions energy: -2008.997 where: short stacking energy: -875.655 Base-Backbone interact. energy: 1.043 local terms energy: -828.934988 where: bonds (distance) C4'-P energy: -147.912 bonds (distance) P-C4' energy: -151.319 flat angles C4'-P-C4' energy: -175.966 flat angles P-C4'-P energy: -114.359 tors. eta vs tors. theta energy: -239.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2738.028451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.028451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.028451 (E_RNA) where: Base-Base interactions energy: -1907.104 where: short stacking energy: -848.018 Base-Backbone interact. energy: -6.230 local terms energy: -824.693751 where: bonds (distance) C4'-P energy: -134.011 bonds (distance) P-C4' energy: -148.121 flat angles C4'-P-C4' energy: -172.416 flat angles P-C4'-P energy: -109.485 tors. eta vs tors. theta energy: -260.662 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: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2574.486000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.486000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.486000 (E_RNA) where: Base-Base interactions energy: -1799.536 where: short stacking energy: -774.597 Base-Backbone interact. energy: -3.677 local terms energy: -771.273678 where: bonds (distance) C4'-P energy: -153.114 bonds (distance) P-C4' energy: -150.854 flat angles C4'-P-C4' energy: -153.131 flat angles P-C4'-P energy: -82.903 tors. eta vs tors. theta energy: -231.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -2440.118923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.118923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.118923 (E_RNA) where: Base-Base interactions energy: -1687.339 where: short stacking energy: -757.712 Base-Backbone interact. energy: -6.377 local terms energy: -746.402306 where: bonds (distance) C4'-P energy: -123.477 bonds (distance) P-C4' energy: -159.207 flat angles C4'-P-C4' energy: -151.185 flat angles P-C4'-P energy: -103.104 tors. eta vs tors. theta energy: -209.429 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: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -2155.903049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.903049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.903049 (E_RNA) where: Base-Base interactions energy: -1462.616 where: short stacking energy: -636.794 Base-Backbone interact. energy: 3.637 local terms energy: -696.924217 where: bonds (distance) C4'-P energy: -132.685 bonds (distance) P-C4' energy: -144.501 flat angles C4'-P-C4' energy: -165.861 flat angles P-C4'-P energy: -99.200 tors. eta vs tors. theta energy: -154.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1597.023153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.023153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.023153 (E_RNA) where: Base-Base interactions energy: -1074.698 where: short stacking energy: -478.492 Base-Backbone interact. energy: 2.126 local terms energy: -524.451278 where: bonds (distance) C4'-P energy: -115.509 bonds (distance) P-C4' energy: -114.982 flat angles C4'-P-C4' energy: -124.166 flat angles P-C4'-P energy: -83.090 tors. eta vs tors. theta energy: -86.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1217.079486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.079486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.079486 (E_RNA) where: Base-Base interactions energy: -725.786 where: short stacking energy: -331.333 Base-Backbone interact. energy: -0.140 local terms energy: -491.153198 where: bonds (distance) C4'-P energy: -122.138 bonds (distance) P-C4' energy: -149.104 flat angles C4'-P-C4' energy: -124.912 flat angles P-C4'-P energy: -74.672 tors. eta vs tors. theta energy: -20.327 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: 3 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -3106.320723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.320723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.320723 (E_RNA) where: Base-Base interactions energy: -2187.538 where: short stacking energy: -927.077 Base-Backbone interact. energy: -5.168 local terms energy: -913.615524 where: bonds (distance) C4'-P energy: -159.385 bonds (distance) P-C4' energy: -173.030 flat angles C4'-P-C4' energy: -186.147 flat angles P-C4'-P energy: -127.745 tors. eta vs tors. theta energy: -267.308 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: 7 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2942.803232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.803232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.803232 (E_RNA) where: Base-Base interactions energy: -2044.066 where: short stacking energy: -882.747 Base-Backbone interact. energy: 0.143 local terms energy: -898.880759 where: bonds (distance) C4'-P energy: -151.955 bonds (distance) P-C4' energy: -179.091 flat angles C4'-P-C4' energy: -167.359 flat angles P-C4'-P energy: -137.010 tors. eta vs tors. theta energy: -263.466 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: 3, replica: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2887.449291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.449291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.449291 (E_RNA) where: Base-Base interactions energy: -1982.723 where: short stacking energy: -896.417 Base-Backbone interact. energy: -1.645 local terms energy: -903.081134 where: bonds (distance) C4'-P energy: -164.399 bonds (distance) P-C4' energy: -149.155 flat angles C4'-P-C4' energy: -178.601 flat angles P-C4'-P energy: -137.933 tors. eta vs tors. theta energy: -272.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2771.743222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.743222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.743222 (E_RNA) where: Base-Base interactions energy: -1908.060 where: short stacking energy: -837.846 Base-Backbone interact. energy: -4.459 local terms energy: -859.224982 where: bonds (distance) C4'-P energy: -157.436 bonds (distance) P-C4' energy: -164.127 flat angles C4'-P-C4' energy: -180.242 flat angles P-C4'-P energy: -109.596 tors. eta vs tors. theta energy: -247.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2716.263560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.263560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.263560 (E_RNA) where: Base-Base interactions energy: -1872.922 where: short stacking energy: -796.418 Base-Backbone interact. energy: -3.887 local terms energy: -839.454117 where: bonds (distance) C4'-P energy: -151.742 bonds (distance) P-C4' energy: -141.134 flat angles C4'-P-C4' energy: -166.743 flat angles P-C4'-P energy: -123.048 tors. eta vs tors. theta energy: -256.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2575.995499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.995499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.995499 (E_RNA) where: Base-Base interactions energy: -1778.429 where: short stacking energy: -789.254 Base-Backbone interact. energy: -3.711 local terms energy: -793.855364 where: bonds (distance) C4'-P energy: -139.340 bonds (distance) P-C4' energy: -139.706 flat angles C4'-P-C4' energy: -184.812 flat angles P-C4'-P energy: -107.708 tors. eta vs tors. theta energy: -222.289 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: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -2368.315260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.315260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.315260 (E_RNA) where: Base-Base interactions energy: -1623.416 where: short stacking energy: -700.907 Base-Backbone interact. energy: -0.047 local terms energy: -744.852859 where: bonds (distance) C4'-P energy: -147.130 bonds (distance) P-C4' energy: -137.262 flat angles C4'-P-C4' energy: -156.364 flat angles P-C4'-P energy: -112.539 tors. eta vs tors. theta energy: -191.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -2207.842278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.842278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.842278 (E_RNA) where: Base-Base interactions energy: -1484.811 where: short stacking energy: -628.117 Base-Backbone interact. energy: -2.268 local terms energy: -720.763261 where: bonds (distance) C4'-P energy: -134.319 bonds (distance) P-C4' energy: -148.599 flat angles C4'-P-C4' energy: -157.375 flat angles P-C4'-P energy: -108.142 tors. eta vs tors. theta energy: -172.329 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: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1665.199656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.199656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.199656 (E_RNA) where: Base-Base interactions energy: -1133.384 where: short stacking energy: -495.350 Base-Backbone interact. energy: 3.977 local terms energy: -535.791902 where: bonds (distance) C4'-P energy: -120.677 bonds (distance) P-C4' energy: -134.075 flat angles C4'-P-C4' energy: -123.138 flat angles P-C4'-P energy: -50.027 tors. eta vs tors. theta energy: -107.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1151.848116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.848116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.848116 (E_RNA) where: Base-Base interactions energy: -652.724 where: short stacking energy: -313.793 Base-Backbone interact. energy: 1.123 local terms energy: -500.246886 where: bonds (distance) C4'-P energy: -118.413 bonds (distance) P-C4' energy: -152.246 flat angles C4'-P-C4' energy: -136.636 flat angles P-C4'-P energy: -68.460 tors. eta vs tors. theta energy: -24.492 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: 3 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -3077.841109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.841109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.841109 (E_RNA) where: Base-Base interactions energy: -2132.363 where: short stacking energy: -921.830 Base-Backbone interact. energy: -3.963 local terms energy: -941.515221 where: bonds (distance) C4'-P energy: -162.926 bonds (distance) P-C4' energy: -176.267 flat angles C4'-P-C4' energy: -199.885 flat angles P-C4'-P energy: -131.398 tors. eta vs tors. theta energy: -271.039 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: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2946.321053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.321053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.321053 (E_RNA) where: Base-Base interactions energy: -2056.660 where: short stacking energy: -882.395 Base-Backbone interact. energy: -7.630 local terms energy: -882.031507 where: bonds (distance) C4'-P energy: -169.551 bonds (distance) P-C4' energy: -158.919 flat angles C4'-P-C4' energy: -187.526 flat angles P-C4'-P energy: -120.051 tors. eta vs tors. theta energy: -245.985 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: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2893.000576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.000576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.000576 (E_RNA) where: Base-Base interactions energy: -2028.190 where: short stacking energy: -902.248 Base-Backbone interact. energy: -5.573 local terms energy: -859.237545 where: bonds (distance) C4'-P energy: -143.149 bonds (distance) P-C4' energy: -146.798 flat angles C4'-P-C4' energy: -186.221 flat angles P-C4'-P energy: -114.906 tors. eta vs tors. theta energy: -268.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2789.819178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.819178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.819178 (E_RNA) where: Base-Base interactions energy: -1932.656 where: short stacking energy: -853.815 Base-Backbone interact. energy: -5.202 local terms energy: -851.961539 where: bonds (distance) C4'-P energy: -157.925 bonds (distance) P-C4' energy: -157.323 flat angles C4'-P-C4' energy: -168.102 flat angles P-C4'-P energy: -126.033 tors. eta vs tors. theta energy: -242.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2686.690406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.690406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.690406 (E_RNA) where: Base-Base interactions energy: -1888.648 where: short stacking energy: -821.749 Base-Backbone interact. energy: -2.849 local terms energy: -795.193104 where: bonds (distance) C4'-P energy: -122.974 bonds (distance) P-C4' energy: -132.465 flat angles C4'-P-C4' energy: -182.205 flat angles P-C4'-P energy: -102.897 tors. eta vs tors. theta energy: -254.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2510.561751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.561751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.561751 (E_RNA) where: Base-Base interactions energy: -1743.221 where: short stacking energy: -757.750 Base-Backbone interact. energy: -2.205 local terms energy: -765.135441 where: bonds (distance) C4'-P energy: -134.608 bonds (distance) P-C4' energy: -126.278 flat angles C4'-P-C4' energy: -177.814 flat angles P-C4'-P energy: -116.044 tors. eta vs tors. theta energy: -210.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -2389.798478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.798478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.798478 (E_RNA) where: Base-Base interactions energy: -1671.744 where: short stacking energy: -700.295 Base-Backbone interact. energy: -1.844 local terms energy: -716.209778 where: bonds (distance) C4'-P energy: -125.143 bonds (distance) P-C4' energy: -148.300 flat angles C4'-P-C4' energy: -156.699 flat angles P-C4'-P energy: -82.890 tors. eta vs tors. theta energy: -203.178 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: 6 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -2190.920465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.920465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.920465 (E_RNA) where: Base-Base interactions energy: -1495.945 where: short stacking energy: -644.114 Base-Backbone interact. energy: 0.500 local terms energy: -695.475502 where: bonds (distance) C4'-P energy: -128.264 bonds (distance) P-C4' energy: -153.294 flat angles C4'-P-C4' energy: -162.078 flat angles P-C4'-P energy: -83.113 tors. eta vs tors. theta energy: -168.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1553.927766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.927766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.927766 (E_RNA) where: Base-Base interactions energy: -969.777 where: short stacking energy: -434.320 Base-Backbone interact. energy: -3.216 local terms energy: -580.934686 where: bonds (distance) C4'-P energy: -127.379 bonds (distance) P-C4' energy: -146.505 flat angles C4'-P-C4' energy: -141.376 flat angles P-C4'-P energy: -84.509 tors. eta vs tors. theta energy: -81.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1165.859651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.859651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.859651 (E_RNA) where: Base-Base interactions energy: -672.569 where: short stacking energy: -330.085 Base-Backbone interact. energy: 6.245 local terms energy: -499.536017 where: bonds (distance) C4'-P energy: -133.630 bonds (distance) P-C4' energy: -135.806 flat angles C4'-P-C4' energy: -102.247 flat angles P-C4'-P energy: -83.235 tors. eta vs tors. theta energy: -44.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -3097.759977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.759977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.759977 (E_RNA) where: Base-Base interactions energy: -2170.854 where: short stacking energy: -923.345 Base-Backbone interact. energy: -2.980 local terms energy: -923.926281 where: bonds (distance) C4'-P energy: -159.647 bonds (distance) P-C4' energy: -158.166 flat angles C4'-P-C4' energy: -203.704 flat angles P-C4'-P energy: -133.363 tors. eta vs tors. theta energy: -269.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2977.683234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.683234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.683234 (E_RNA) where: Base-Base interactions energy: -2075.209 where: short stacking energy: -893.772 Base-Backbone interact. energy: -5.875 local terms energy: -896.598976 where: bonds (distance) C4'-P energy: -163.938 bonds (distance) P-C4' energy: -162.230 flat angles C4'-P-C4' energy: -182.638 flat angles P-C4'-P energy: -130.381 tors. eta vs tors. theta energy: -257.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2868.980311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.980311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.980311 (E_RNA) where: Base-Base interactions energy: -1959.570 where: short stacking energy: -857.767 Base-Backbone interact. energy: -6.581 local terms energy: -902.829324 where: bonds (distance) C4'-P energy: -165.239 bonds (distance) P-C4' energy: -159.981 flat angles C4'-P-C4' energy: -190.981 flat angles P-C4'-P energy: -121.157 tors. eta vs tors. theta energy: -265.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2787.500011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.500011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.500011 (E_RNA) where: Base-Base interactions energy: -1943.440 where: short stacking energy: -849.133 Base-Backbone interact. energy: -3.539 local terms energy: -840.520417 where: bonds (distance) C4'-P energy: -140.813 bonds (distance) P-C4' energy: -154.338 flat angles C4'-P-C4' energy: -185.376 flat angles P-C4'-P energy: -115.520 tors. eta vs tors. theta energy: -244.474 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: 5, replica: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2713.713866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.713866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.713866 (E_RNA) where: Base-Base interactions energy: -1870.886 where: short stacking energy: -833.592 Base-Backbone interact. energy: -1.464 local terms energy: -841.363985 where: bonds (distance) C4'-P energy: -137.940 bonds (distance) P-C4' energy: -143.110 flat angles C4'-P-C4' energy: -179.620 flat angles P-C4'-P energy: -129.909 tors. eta vs tors. theta energy: -250.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2475.411800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.411800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.411800 (E_RNA) where: Base-Base interactions energy: -1738.557 where: short stacking energy: -744.234 Base-Backbone interact. energy: -0.982 local terms energy: -735.872186 where: bonds (distance) C4'-P energy: -140.484 bonds (distance) P-C4' energy: -125.527 flat angles C4'-P-C4' energy: -162.808 flat angles P-C4'-P energy: -92.574 tors. eta vs tors. theta energy: -214.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -2358.205144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.205144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.205144 (E_RNA) where: Base-Base interactions energy: -1644.013 where: short stacking energy: -692.977 Base-Backbone interact. energy: -2.046 local terms energy: -712.145976 where: bonds (distance) C4'-P energy: -125.703 bonds (distance) P-C4' energy: -143.250 flat angles C4'-P-C4' energy: -154.260 flat angles P-C4'-P energy: -92.996 tors. eta vs tors. theta energy: -195.936 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: 6 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -2259.138009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.138009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.138009 (E_RNA) where: Base-Base interactions energy: -1547.943 where: short stacking energy: -681.910 Base-Backbone interact. energy: -3.721 local terms energy: -707.473849 where: bonds (distance) C4'-P energy: -122.768 bonds (distance) P-C4' energy: -139.559 flat angles C4'-P-C4' energy: -155.048 flat angles P-C4'-P energy: -93.813 tors. eta vs tors. theta energy: -196.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1485.241987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.241987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.241987 (E_RNA) where: Base-Base interactions energy: -928.886 where: short stacking energy: -415.183 Base-Backbone interact. energy: 0.099 local terms energy: -556.454655 where: bonds (distance) C4'-P energy: -134.518 bonds (distance) P-C4' energy: -137.144 flat angles C4'-P-C4' energy: -119.856 flat angles P-C4'-P energy: -82.634 tors. eta vs tors. theta energy: -82.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1130.733481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.733481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.733481 (E_RNA) where: Base-Base interactions energy: -674.689 where: short stacking energy: -320.473 Base-Backbone interact. energy: -2.734 local terms energy: -453.310305 where: bonds (distance) C4'-P energy: -118.311 bonds (distance) P-C4' energy: -114.093 flat angles C4'-P-C4' energy: -138.811 flat angles P-C4'-P energy: -64.473 tors. eta vs tors. theta energy: -17.622 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: 3 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -3098.384865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.384865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.384865 (E_RNA) where: Base-Base interactions energy: -2178.955 where: short stacking energy: -930.220 Base-Backbone interact. energy: -5.024 local terms energy: -914.405596 where: bonds (distance) C4'-P energy: -151.930 bonds (distance) P-C4' energy: -161.220 flat angles C4'-P-C4' energy: -198.656 flat angles P-C4'-P energy: -137.470 tors. eta vs tors. theta energy: -265.129 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: 7 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2963.954753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.954753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.954753 (E_RNA) where: Base-Base interactions energy: -2040.759 where: short stacking energy: -904.295 Base-Backbone interact. energy: -3.952 local terms energy: -919.243962 where: bonds (distance) C4'-P energy: -168.283 bonds (distance) P-C4' energy: -153.719 flat angles C4'-P-C4' energy: -188.756 flat angles P-C4'-P energy: -135.183 tors. eta vs tors. theta energy: -273.304 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: 3, replica: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2901.389875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.389875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.389875 (E_RNA) where: Base-Base interactions energy: -1995.774 where: short stacking energy: -872.546 Base-Backbone interact. energy: -5.889 local terms energy: -899.727106 where: bonds (distance) C4'-P energy: -173.481 bonds (distance) P-C4' energy: -167.189 flat angles C4'-P-C4' energy: -176.617 flat angles P-C4'-P energy: -115.742 tors. eta vs tors. theta energy: -266.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2784.594007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.594007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.594007 (E_RNA) where: Base-Base interactions energy: -1929.457 where: short stacking energy: -849.766 Base-Backbone interact. energy: -4.000 local terms energy: -851.137475 where: bonds (distance) C4'-P energy: -148.205 bonds (distance) P-C4' energy: -154.763 flat angles C4'-P-C4' energy: -194.626 flat angles P-C4'-P energy: -101.113 tors. eta vs tors. theta energy: -252.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2747.852590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.852590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.852590 (E_RNA) where: Base-Base interactions energy: -1920.773 where: short stacking energy: -817.196 Base-Backbone interact. energy: -1.979 local terms energy: -825.101022 where: bonds (distance) C4'-P energy: -146.021 bonds (distance) P-C4' energy: -137.481 flat angles C4'-P-C4' energy: -159.540 flat angles P-C4'-P energy: -129.497 tors. eta vs tors. theta energy: -252.562 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: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2534.027325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.027325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.027325 (E_RNA) where: Base-Base interactions energy: -1747.454 where: short stacking energy: -784.262 Base-Backbone interact. energy: -3.317 local terms energy: -783.256266 where: bonds (distance) C4'-P energy: -126.384 bonds (distance) P-C4' energy: -151.248 flat angles C4'-P-C4' energy: -176.248 flat angles P-C4'-P energy: -105.061 tors. eta vs tors. theta energy: -224.316 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: 154 Temperature: 1.200000 Total energy: -2337.150936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.150936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.150936 (E_RNA) where: Base-Base interactions energy: -1643.049 where: short stacking energy: -685.471 Base-Backbone interact. energy: -2.383 local terms energy: -691.718519 where: bonds (distance) C4'-P energy: -144.774 bonds (distance) P-C4' energy: -129.601 flat angles C4'-P-C4' energy: -141.981 flat angles P-C4'-P energy: -95.980 tors. eta vs tors. theta energy: -179.382 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: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -2257.633344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.633344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.633344 (E_RNA) where: Base-Base interactions energy: -1560.860 where: short stacking energy: -701.113 Base-Backbone interact. energy: -0.323 local terms energy: -696.449645 where: bonds (distance) C4'-P energy: -127.769 bonds (distance) P-C4' energy: -130.311 flat angles C4'-P-C4' energy: -158.196 flat angles P-C4'-P energy: -99.966 tors. eta vs tors. theta energy: -180.207 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: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1490.108821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.108821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.108821 (E_RNA) where: Base-Base interactions energy: -916.015 where: short stacking energy: -449.680 Base-Backbone interact. energy: -1.073 local terms energy: -573.020461 where: bonds (distance) C4'-P energy: -119.327 bonds (distance) P-C4' energy: -136.197 flat angles C4'-P-C4' energy: -145.533 flat angles P-C4'-P energy: -90.792 tors. eta vs tors. theta energy: -81.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1089.517539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.517539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.517539 (E_RNA) where: Base-Base interactions energy: -613.930 where: short stacking energy: -326.313 Base-Backbone interact. energy: -4.890 local terms energy: -470.698009 where: bonds (distance) C4'-P energy: -113.013 bonds (distance) P-C4' energy: -128.365 flat angles C4'-P-C4' energy: -122.480 flat angles P-C4'-P energy: -57.959 tors. eta vs tors. theta energy: -48.881 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: 3 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -3106.341969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.341969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.341969 (E_RNA) where: Base-Base interactions energy: -2158.455 where: short stacking energy: -934.310 Base-Backbone interact. energy: -3.427 local terms energy: -944.459335 where: bonds (distance) C4'-P energy: -161.986 bonds (distance) P-C4' energy: -169.695 flat angles C4'-P-C4' energy: -202.959 flat angles P-C4'-P energy: -134.235 tors. eta vs tors. theta energy: -275.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2961.707038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.707038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.707038 (E_RNA) where: Base-Base interactions energy: -2036.765 where: short stacking energy: -900.897 Base-Backbone interact. energy: -2.658 local terms energy: -922.284130 where: bonds (distance) C4'-P energy: -167.358 bonds (distance) P-C4' energy: -172.093 flat angles C4'-P-C4' energy: -186.747 flat angles P-C4'-P energy: -130.343 tors. eta vs tors. theta energy: -265.743 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: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2862.964986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.964986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.964986 (E_RNA) where: Base-Base interactions energy: -1978.927 where: short stacking energy: -884.654 Base-Backbone interact. energy: -4.092 local terms energy: -879.946365 where: bonds (distance) C4'-P energy: -147.367 bonds (distance) P-C4' energy: -165.194 flat angles C4'-P-C4' energy: -185.450 flat angles P-C4'-P energy: -122.917 tors. eta vs tors. theta energy: -259.019 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: 4 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2791.749165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.749165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.749165 (E_RNA) where: Base-Base interactions energy: -1941.373 where: short stacking energy: -840.027 Base-Backbone interact. energy: -5.027 local terms energy: -845.349652 where: bonds (distance) C4'-P energy: -139.398 bonds (distance) P-C4' energy: -169.508 flat angles C4'-P-C4' energy: -190.638 flat angles P-C4'-P energy: -108.726 tors. eta vs tors. theta energy: -237.079 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: 155 Temperature: 1.100000 Total energy: -2692.724046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.724046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.724046 (E_RNA) where: Base-Base interactions energy: -1891.913 where: short stacking energy: -827.356 Base-Backbone interact. energy: -0.588 local terms energy: -800.222746 where: bonds (distance) C4'-P energy: -137.582 bonds (distance) P-C4' energy: -143.309 flat angles C4'-P-C4' energy: -169.299 flat angles P-C4'-P energy: -103.811 tors. eta vs tors. theta energy: -246.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2516.559595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.559595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.559595 (E_RNA) where: Base-Base interactions energy: -1745.848 where: short stacking energy: -764.063 Base-Backbone interact. energy: 0.138 local terms energy: -770.848700 where: bonds (distance) C4'-P energy: -131.681 bonds (distance) P-C4' energy: -143.270 flat angles C4'-P-C4' energy: -163.983 flat angles P-C4'-P energy: -115.587 tors. eta vs tors. theta energy: -216.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2339.919541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.919541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.919541 (E_RNA) where: Base-Base interactions energy: -1635.099 where: short stacking energy: -712.521 Base-Backbone interact. energy: -3.761 local terms energy: -701.059965 where: bonds (distance) C4'-P energy: -119.369 bonds (distance) P-C4' energy: -142.795 flat angles C4'-P-C4' energy: -150.531 flat angles P-C4'-P energy: -96.231 tors. eta vs tors. theta energy: -192.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -2258.176419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.176419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.176419 (E_RNA) where: Base-Base interactions energy: -1536.481 where: short stacking energy: -699.367 Base-Backbone interact. energy: 0.071 local terms energy: -721.766563 where: bonds (distance) C4'-P energy: -136.706 bonds (distance) P-C4' energy: -139.760 flat angles C4'-P-C4' energy: -161.323 flat angles P-C4'-P energy: -96.927 tors. eta vs tors. theta energy: -187.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1534.511150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.511150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.511150 (E_RNA) where: Base-Base interactions energy: -968.557 where: short stacking energy: -446.710 Base-Backbone interact. energy: -0.998 local terms energy: -564.955869 where: bonds (distance) C4'-P energy: -125.981 bonds (distance) P-C4' energy: -159.265 flat angles C4'-P-C4' energy: -136.923 flat angles P-C4'-P energy: -67.658 tors. eta vs tors. theta energy: -75.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1073.743451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.743451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.743451 (E_RNA) where: Base-Base interactions energy: -581.708 where: short stacking energy: -330.326 Base-Backbone interact. energy: -0.253 local terms energy: -491.782671 where: bonds (distance) C4'-P energy: -124.902 bonds (distance) P-C4' energy: -129.566 flat angles C4'-P-C4' energy: -132.708 flat angles P-C4'-P energy: -53.029 tors. eta vs tors. theta energy: -51.579 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: 3 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -3082.882372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.882372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.882372 (E_RNA) where: Base-Base interactions energy: -2155.065 where: short stacking energy: -921.168 Base-Backbone interact. energy: -2.414 local terms energy: -925.403407 where: bonds (distance) C4'-P energy: -161.787 bonds (distance) P-C4' energy: -174.310 flat angles C4'-P-C4' energy: -195.110 flat angles P-C4'-P energy: -129.430 tors. eta vs tors. theta energy: -264.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2961.352653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.352653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.352653 (E_RNA) where: Base-Base interactions energy: -2048.088 where: short stacking energy: -911.441 Base-Backbone interact. energy: -5.715 local terms energy: -907.550094 where: bonds (distance) C4'-P energy: -158.855 bonds (distance) P-C4' energy: -162.081 flat angles C4'-P-C4' energy: -194.740 flat angles P-C4'-P energy: -132.820 tors. eta vs tors. theta energy: -259.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2877.293021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.293021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.293021 (E_RNA) where: Base-Base interactions energy: -1983.914 where: short stacking energy: -884.149 Base-Backbone interact. energy: -3.232 local terms energy: -890.147377 where: bonds (distance) C4'-P energy: -156.780 bonds (distance) P-C4' energy: -146.888 flat angles C4'-P-C4' energy: -189.844 flat angles P-C4'-P energy: -131.839 tors. eta vs tors. theta energy: -264.797 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: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2825.092967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.092967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.092967 (E_RNA) where: Base-Base interactions energy: -1936.741 where: short stacking energy: -859.065 Base-Backbone interact. energy: -2.441 local terms energy: -885.911118 where: bonds (distance) C4'-P energy: -158.146 bonds (distance) P-C4' energy: -172.266 flat angles C4'-P-C4' energy: -174.611 flat angles P-C4'-P energy: -127.004 tors. eta vs tors. theta energy: -253.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2684.582292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.582292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.582292 (E_RNA) where: Base-Base interactions energy: -1869.757 where: short stacking energy: -813.249 Base-Backbone interact. energy: -2.707 local terms energy: -812.117888 where: bonds (distance) C4'-P energy: -148.681 bonds (distance) P-C4' energy: -150.310 flat angles C4'-P-C4' energy: -159.187 flat angles P-C4'-P energy: -118.030 tors. eta vs tors. theta energy: -235.910 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: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2591.159595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.159595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.159595 (E_RNA) where: Base-Base interactions energy: -1791.468 where: short stacking energy: -782.377 Base-Backbone interact. energy: -1.207 local terms energy: -798.484881 where: bonds (distance) C4'-P energy: -137.674 bonds (distance) P-C4' energy: -156.744 flat angles C4'-P-C4' energy: -180.600 flat angles P-C4'-P energy: -95.059 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: 7, replica: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -2379.691346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.691346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.691346 (E_RNA) where: Base-Base interactions energy: -1626.350 where: short stacking energy: -726.168 Base-Backbone interact. energy: -1.331 local terms energy: -752.010854 where: bonds (distance) C4'-P energy: -155.887 bonds (distance) P-C4' energy: -127.348 flat angles C4'-P-C4' energy: -165.427 flat angles P-C4'-P energy: -101.065 tors. eta vs tors. theta energy: -202.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -2238.888147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.888147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.888147 (E_RNA) where: Base-Base interactions energy: -1548.785 where: short stacking energy: -675.460 Base-Backbone interact. energy: 4.404 local terms energy: -694.506710 where: bonds (distance) C4'-P energy: -151.026 bonds (distance) P-C4' energy: -124.756 flat angles C4'-P-C4' energy: -139.406 flat angles P-C4'-P energy: -95.770 tors. eta vs tors. theta energy: -183.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1505.487691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.487691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.487691 (E_RNA) where: Base-Base interactions energy: -942.369 where: short stacking energy: -424.611 Base-Backbone interact. energy: 3.472 local terms energy: -566.590519 where: bonds (distance) C4'-P energy: -129.306 bonds (distance) P-C4' energy: -161.226 flat angles C4'-P-C4' energy: -128.523 flat angles P-C4'-P energy: -81.624 tors. eta vs tors. theta energy: -65.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1096.184164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.184164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.184164 (E_RNA) where: Base-Base interactions energy: -643.994 where: short stacking energy: -341.144 Base-Backbone interact. energy: 4.400 local terms energy: -456.590147 where: bonds (distance) C4'-P energy: -104.756 bonds (distance) P-C4' energy: -149.107 flat angles C4'-P-C4' energy: -118.466 flat angles P-C4'-P energy: -60.671 tors. eta vs tors. theta energy: -23.589 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: 1, replica: 3 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -3079.173874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.173874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.173874 (E_RNA) where: Base-Base interactions energy: -2175.222 where: short stacking energy: -951.854 Base-Backbone interact. energy: -4.798 local terms energy: -899.153911 where: bonds (distance) C4'-P energy: -143.817 bonds (distance) P-C4' energy: -159.840 flat angles C4'-P-C4' energy: -189.992 flat angles P-C4'-P energy: -129.506 tors. eta vs tors. theta energy: -275.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2963.072522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.072522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.072522 (E_RNA) where: Base-Base interactions energy: -2048.859 where: short stacking energy: -908.241 Base-Backbone interact. energy: -5.183 local terms energy: -909.030402 where: bonds (distance) C4'-P energy: -168.219 bonds (distance) P-C4' energy: -157.778 flat angles C4'-P-C4' energy: -188.791 flat angles P-C4'-P energy: -129.995 tors. eta vs tors. theta energy: -264.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2905.464363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.464363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.464363 (E_RNA) where: Base-Base interactions energy: -2000.327 where: short stacking energy: -893.621 Base-Backbone interact. energy: -4.990 local terms energy: -900.147284 where: bonds (distance) C4'-P energy: -133.382 bonds (distance) P-C4' energy: -162.291 flat angles C4'-P-C4' energy: -196.842 flat angles P-C4'-P energy: -134.813 tors. eta vs tors. theta energy: -272.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2791.922915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.922915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.922915 (E_RNA) where: Base-Base interactions energy: -1954.316 where: short stacking energy: -859.128 Base-Backbone interact. energy: -4.008 local terms energy: -833.599395 where: bonds (distance) C4'-P energy: -151.312 bonds (distance) P-C4' energy: -142.150 flat angles C4'-P-C4' energy: -174.689 flat angles P-C4'-P energy: -107.906 tors. eta vs tors. theta energy: -257.543 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: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2753.206331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.206331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.206331 (E_RNA) where: Base-Base interactions energy: -1900.569 where: short stacking energy: -860.249 Base-Backbone interact. energy: -1.999 local terms energy: -850.637831 where: bonds (distance) C4'-P energy: -152.346 bonds (distance) P-C4' energy: -150.184 flat angles C4'-P-C4' energy: -194.073 flat angles P-C4'-P energy: -117.459 tors. eta vs tors. theta energy: -236.575 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: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2566.780208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.780208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.780208 (E_RNA) where: Base-Base interactions energy: -1764.847 where: short stacking energy: -774.173 Base-Backbone interact. energy: -5.516 local terms energy: -796.417446 where: bonds (distance) C4'-P energy: -130.179 bonds (distance) P-C4' energy: -143.786 flat angles C4'-P-C4' energy: -175.014 flat angles P-C4'-P energy: -128.278 tors. eta vs tors. theta energy: -219.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -2378.475900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.475900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.475900 (E_RNA) where: Base-Base interactions energy: -1629.768 where: short stacking energy: -703.650 Base-Backbone interact. energy: -1.454 local terms energy: -747.253324 where: bonds (distance) C4'-P energy: -128.324 bonds (distance) P-C4' energy: -150.600 flat angles C4'-P-C4' energy: -160.136 flat angles P-C4'-P energy: -106.204 tors. eta vs tors. theta energy: -201.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -2247.752313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.752313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.752313 (E_RNA) where: Base-Base interactions energy: -1526.233 where: short stacking energy: -676.998 Base-Backbone interact. energy: -3.369 local terms energy: -718.150822 where: bonds (distance) C4'-P energy: -123.006 bonds (distance) P-C4' energy: -155.079 flat angles C4'-P-C4' energy: -161.541 flat angles P-C4'-P energy: -92.892 tors. eta vs tors. theta energy: -185.634 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: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1456.770860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.770860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.770860 (E_RNA) where: Base-Base interactions energy: -915.652 where: short stacking energy: -442.806 Base-Backbone interact. energy: -0.059 local terms energy: -541.060174 where: bonds (distance) C4'-P energy: -130.560 bonds (distance) P-C4' energy: -115.010 flat angles C4'-P-C4' energy: -136.997 flat angles P-C4'-P energy: -87.685 tors. eta vs tors. theta energy: -70.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1070.365996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.365996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.365996 (E_RNA) where: Base-Base interactions energy: -590.992 where: short stacking energy: -298.401 Base-Backbone interact. energy: 1.225 local terms energy: -480.599152 where: bonds (distance) C4'-P energy: -137.170 bonds (distance) P-C4' energy: -129.950 flat angles C4'-P-C4' energy: -134.649 flat angles P-C4'-P energy: -58.813 tors. eta vs tors. theta energy: -20.017 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: 3 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3138.802144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.802144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.802144 (E_RNA) where: Base-Base interactions energy: -2201.331 where: short stacking energy: -956.187 Base-Backbone interact. energy: -6.665 local terms energy: -930.805943 where: bonds (distance) C4'-P energy: -173.620 bonds (distance) P-C4' energy: -153.126 flat angles C4'-P-C4' energy: -193.098 flat angles P-C4'-P energy: -127.968 tors. eta vs tors. theta energy: -282.993 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: 2, replica: 7 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2977.046322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.046322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.046322 (E_RNA) where: Base-Base interactions energy: -2053.421 where: short stacking energy: -901.870 Base-Backbone interact. energy: -1.916 local terms energy: -921.708458 where: bonds (distance) C4'-P energy: -144.908 bonds (distance) P-C4' energy: -178.221 flat angles C4'-P-C4' energy: -192.415 flat angles P-C4'-P energy: -128.500 tors. eta vs tors. theta energy: -277.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2852.155717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.155717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.155717 (E_RNA) where: Base-Base interactions energy: -1991.521 where: short stacking energy: -867.487 Base-Backbone interact. energy: -3.206 local terms energy: -857.428239 where: bonds (distance) C4'-P energy: -161.679 bonds (distance) P-C4' energy: -160.171 flat angles C4'-P-C4' energy: -174.701 flat angles P-C4'-P energy: -105.945 tors. eta vs tors. theta energy: -254.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2814.443484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.443484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.443484 (E_RNA) where: Base-Base interactions energy: -1974.091 where: short stacking energy: -883.694 Base-Backbone interact. energy: -2.000 local terms energy: -838.351796 where: bonds (distance) C4'-P energy: -152.295 bonds (distance) P-C4' energy: -131.552 flat angles C4'-P-C4' energy: -179.152 flat angles P-C4'-P energy: -110.133 tors. eta vs tors. theta energy: -265.220 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: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2677.774392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.774392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.774392 (E_RNA) where: Base-Base interactions energy: -1835.436 where: short stacking energy: -821.576 Base-Backbone interact. energy: 0.047 local terms energy: -842.384883 where: bonds (distance) C4'-P energy: -146.374 bonds (distance) P-C4' energy: -142.781 flat angles C4'-P-C4' energy: -189.049 flat angles P-C4'-P energy: -117.676 tors. eta vs tors. theta energy: -246.505 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: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2601.893753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.893753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.893753 (E_RNA) where: Base-Base interactions energy: -1783.317 where: short stacking energy: -788.393 Base-Backbone interact. energy: -0.896 local terms energy: -817.681215 where: bonds (distance) C4'-P energy: -142.687 bonds (distance) P-C4' energy: -141.797 flat angles C4'-P-C4' energy: -165.105 flat angles P-C4'-P energy: -119.989 tors. eta vs tors. theta energy: -248.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -2331.498962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.498962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.498962 (E_RNA) where: Base-Base interactions energy: -1605.088 where: short stacking energy: -720.770 Base-Backbone interact. energy: 3.269 local terms energy: -729.679638 where: bonds (distance) C4'-P energy: -121.360 bonds (distance) P-C4' energy: -156.417 flat angles C4'-P-C4' energy: -145.476 flat angles P-C4'-P energy: -111.004 tors. eta vs tors. theta energy: -195.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -2196.615724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.615724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.615724 (E_RNA) where: Base-Base interactions energy: -1503.737 where: short stacking energy: -647.433 Base-Backbone interact. energy: 2.043 local terms energy: -694.921542 where: bonds (distance) C4'-P energy: -140.318 bonds (distance) P-C4' energy: -148.309 flat angles C4'-P-C4' energy: -153.434 flat angles P-C4'-P energy: -86.292 tors. eta vs tors. theta energy: -166.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1439.309641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.309641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.309641 (E_RNA) where: Base-Base interactions energy: -932.119 where: short stacking energy: -464.697 Base-Backbone interact. energy: 5.054 local terms energy: -512.244636 where: bonds (distance) C4'-P energy: -131.596 bonds (distance) P-C4' energy: -129.874 flat angles C4'-P-C4' energy: -114.920 flat angles P-C4'-P energy: -58.476 tors. eta vs tors. theta energy: -77.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1082.078612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.078612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.078612 (E_RNA) where: Base-Base interactions energy: -579.432 where: short stacking energy: -310.718 Base-Backbone interact. energy: 2.552 local terms energy: -505.199078 where: bonds (distance) C4'-P energy: -128.939 bonds (distance) P-C4' energy: -149.136 flat angles C4'-P-C4' energy: -131.234 flat angles P-C4'-P energy: -71.109 tors. eta vs tors. theta energy: -24.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3094.590041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.590041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.590041 (E_RNA) where: Base-Base interactions energy: -2145.564 where: short stacking energy: -927.776 Base-Backbone interact. energy: -2.214 local terms energy: -946.811890 where: bonds (distance) C4'-P energy: -151.539 bonds (distance) P-C4' energy: -168.505 flat angles C4'-P-C4' energy: -205.665 flat angles P-C4'-P energy: -141.600 tors. eta vs tors. theta energy: -279.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2959.337753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.337753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.337753 (E_RNA) where: Base-Base interactions energy: -2043.763 where: short stacking energy: -901.530 Base-Backbone interact. energy: -3.079 local terms energy: -912.495498 where: bonds (distance) C4'-P energy: -166.037 bonds (distance) P-C4' energy: -165.046 flat angles C4'-P-C4' energy: -198.358 flat angles P-C4'-P energy: -119.897 tors. eta vs tors. theta energy: -263.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2915.028444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.028444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.028444 (E_RNA) where: Base-Base interactions energy: -2004.653 where: short stacking energy: -893.669 Base-Backbone interact. energy: 0.506 local terms energy: -910.881047 where: bonds (distance) C4'-P energy: -159.031 bonds (distance) P-C4' energy: -168.951 flat angles C4'-P-C4' energy: -195.287 flat angles P-C4'-P energy: -119.374 tors. eta vs tors. theta energy: -268.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2833.470892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.470892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.470892 (E_RNA) where: Base-Base interactions energy: -1967.083 where: short stacking energy: -891.051 Base-Backbone interact. energy: -5.352 local terms energy: -861.035859 where: bonds (distance) C4'-P energy: -135.014 bonds (distance) P-C4' energy: -166.840 flat angles C4'-P-C4' energy: -175.087 flat angles P-C4'-P energy: -110.855 tors. eta vs tors. theta energy: -273.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2732.778634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.778634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.778634 (E_RNA) where: Base-Base interactions energy: -1881.081 where: short stacking energy: -839.887 Base-Backbone interact. energy: -2.864 local terms energy: -848.833804 where: bonds (distance) C4'-P energy: -138.588 bonds (distance) P-C4' energy: -161.683 flat angles C4'-P-C4' energy: -186.257 flat angles P-C4'-P energy: -112.168 tors. eta vs tors. theta energy: -250.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2612.815142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.815142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.815142 (E_RNA) where: Base-Base interactions energy: -1844.262 where: short stacking energy: -810.651 Base-Backbone interact. energy: -3.287 local terms energy: -765.266177 where: bonds (distance) C4'-P energy: -103.978 bonds (distance) P-C4' energy: -138.648 flat angles C4'-P-C4' energy: -178.274 flat angles P-C4'-P energy: -103.588 tors. eta vs tors. theta energy: -240.779 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: 7, replica: 6 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2307.637755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.637755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.637755 (E_RNA) where: Base-Base interactions energy: -1599.276 where: short stacking energy: -679.793 Base-Backbone interact. energy: -2.611 local terms energy: -705.750304 where: bonds (distance) C4'-P energy: -127.446 bonds (distance) P-C4' energy: -119.118 flat angles C4'-P-C4' energy: -164.679 flat angles P-C4'-P energy: -109.798 tors. eta vs tors. theta energy: -184.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -2149.949468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.949468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.949468 (E_RNA) where: Base-Base interactions energy: -1485.461 where: short stacking energy: -655.715 Base-Backbone interact. energy: -0.154 local terms energy: -664.335044 where: bonds (distance) C4'-P energy: -123.952 bonds (distance) P-C4' energy: -135.796 flat angles C4'-P-C4' energy: -140.544 flat angles P-C4'-P energy: -96.207 tors. eta vs tors. theta energy: -167.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1429.117509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.117509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.117509 (E_RNA) where: Base-Base interactions energy: -860.194 where: short stacking energy: -406.524 Base-Backbone interact. energy: -0.100 local terms energy: -568.824402 where: bonds (distance) C4'-P energy: -119.313 bonds (distance) P-C4' energy: -159.378 flat angles C4'-P-C4' energy: -152.137 flat angles P-C4'-P energy: -88.358 tors. eta vs tors. theta energy: -49.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1040.143578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.143578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.143578 (E_RNA) where: Base-Base interactions energy: -578.822 where: short stacking energy: -326.169 Base-Backbone interact. energy: 1.320 local terms energy: -462.641952 where: bonds (distance) C4'-P energy: -133.292 bonds (distance) P-C4' energy: -142.429 flat angles C4'-P-C4' energy: -117.006 flat angles P-C4'-P energy: -58.254 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: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -3102.182361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.182361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.182361 (E_RNA) where: Base-Base interactions energy: -2165.338 where: short stacking energy: -933.886 Base-Backbone interact. energy: -5.073 local terms energy: -931.771507 where: bonds (distance) C4'-P energy: -160.757 bonds (distance) P-C4' energy: -174.876 flat angles C4'-P-C4' energy: -200.534 flat angles P-C4'-P energy: -128.338 tors. eta vs tors. theta energy: -267.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -3001.727712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.727712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.727712 (E_RNA) where: Base-Base interactions energy: -2093.914 where: short stacking energy: -936.338 Base-Backbone interact. energy: -3.202 local terms energy: -904.611118 where: bonds (distance) C4'-P energy: -145.609 bonds (distance) P-C4' energy: -156.093 flat angles C4'-P-C4' energy: -190.485 flat angles P-C4'-P energy: -132.696 tors. eta vs tors. theta energy: -279.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2887.277133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.277133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.277133 (E_RNA) where: Base-Base interactions energy: -1984.781 where: short stacking energy: -887.894 Base-Backbone interact. energy: -6.175 local terms energy: -896.320657 where: bonds (distance) C4'-P energy: -167.259 bonds (distance) P-C4' energy: -145.340 flat angles C4'-P-C4' energy: -169.950 flat angles P-C4'-P energy: -137.655 tors. eta vs tors. theta energy: -276.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2802.400328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.400328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.400328 (E_RNA) where: Base-Base interactions energy: -1933.329 where: short stacking energy: -887.495 Base-Backbone interact. energy: -2.817 local terms energy: -866.253584 where: bonds (distance) C4'-P energy: -166.689 bonds (distance) P-C4' energy: -140.911 flat angles C4'-P-C4' energy: -182.251 flat angles P-C4'-P energy: -121.098 tors. eta vs tors. theta energy: -255.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2647.414858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.414858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.414858 (E_RNA) where: Base-Base interactions energy: -1830.949 where: short stacking energy: -814.688 Base-Backbone interact. energy: -0.389 local terms energy: -816.077579 where: bonds (distance) C4'-P energy: -146.100 bonds (distance) P-C4' energy: -147.919 flat angles C4'-P-C4' energy: -172.169 flat angles P-C4'-P energy: -110.450 tors. eta vs tors. theta energy: -239.440 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: 8 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2702.258472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.258472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.258472 (E_RNA) where: Base-Base interactions energy: -1901.357 where: short stacking energy: -841.871 Base-Backbone interact. energy: -3.269 local terms energy: -797.632430 where: bonds (distance) C4'-P energy: -147.168 bonds (distance) P-C4' energy: -134.365 flat angles C4'-P-C4' energy: -170.991 flat angles P-C4'-P energy: -101.606 tors. eta vs tors. theta energy: -243.502 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: 6 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -2363.537952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.537952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.537952 (E_RNA) where: Base-Base interactions energy: -1614.398 where: short stacking energy: -685.239 Base-Backbone interact. energy: 6.631 local terms energy: -755.771079 where: bonds (distance) C4'-P energy: -138.287 bonds (distance) P-C4' energy: -153.784 flat angles C4'-P-C4' energy: -173.813 flat angles P-C4'-P energy: -108.970 tors. eta vs tors. theta energy: -180.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -2147.074459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.074459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.074459 (E_RNA) where: Base-Base interactions energy: -1468.094 where: short stacking energy: -646.060 Base-Backbone interact. energy: -5.229 local terms energy: -673.751595 where: bonds (distance) C4'-P energy: -156.788 bonds (distance) P-C4' energy: -118.201 flat angles C4'-P-C4' energy: -144.657 flat angles P-C4'-P energy: -65.941 tors. eta vs tors. theta energy: -188.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1449.690835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.690835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.690835 (E_RNA) where: Base-Base interactions energy: -891.437 where: short stacking energy: -410.826 Base-Backbone interact. energy: 1.052 local terms energy: -559.305566 where: bonds (distance) C4'-P energy: -108.438 bonds (distance) P-C4' energy: -134.988 flat angles C4'-P-C4' energy: -142.457 flat angles P-C4'-P energy: -100.636 tors. eta vs tors. theta energy: -72.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -981.996223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.996223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.996223 (E_RNA) where: Base-Base interactions energy: -520.689 where: short stacking energy: -286.172 Base-Backbone interact. energy: -1.814 local terms energy: -459.492607 where: bonds (distance) C4'-P energy: -138.234 bonds (distance) P-C4' energy: -153.805 flat angles C4'-P-C4' energy: -105.562 flat angles P-C4'-P energy: -55.422 tors. eta vs tors. theta energy: -6.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3118.797376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.797376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.797376 (E_RNA) where: Base-Base interactions energy: -2155.239 where: short stacking energy: -947.445 Base-Backbone interact. energy: -7.084 local terms energy: -956.473906 where: bonds (distance) C4'-P energy: -165.611 bonds (distance) P-C4' energy: -164.235 flat angles C4'-P-C4' energy: -198.482 flat angles P-C4'-P energy: -145.323 tors. eta vs tors. theta energy: -282.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2998.602092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.602092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.602092 (E_RNA) where: Base-Base interactions energy: -2078.835 where: short stacking energy: -915.472 Base-Backbone interact. energy: -4.954 local terms energy: -914.812889 where: bonds (distance) C4'-P energy: -156.731 bonds (distance) P-C4' energy: -165.194 flat angles C4'-P-C4' energy: -197.703 flat angles P-C4'-P energy: -127.092 tors. eta vs tors. theta energy: -268.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2910.035644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.035644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.035644 (E_RNA) where: Base-Base interactions energy: -2023.184 where: short stacking energy: -907.641 Base-Backbone interact. energy: -3.751 local terms energy: -883.101076 where: bonds (distance) C4'-P energy: -161.700 bonds (distance) P-C4' energy: -149.528 flat angles C4'-P-C4' energy: -183.075 flat angles P-C4'-P energy: -124.952 tors. eta vs tors. theta energy: -263.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2826.336789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.336789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.336789 (E_RNA) where: Base-Base interactions energy: -1930.468 where: short stacking energy: -877.556 Base-Backbone interact. energy: -5.886 local terms energy: -889.982909 where: bonds (distance) C4'-P energy: -147.398 bonds (distance) P-C4' energy: -165.950 flat angles C4'-P-C4' energy: -186.944 flat angles P-C4'-P energy: -116.869 tors. eta vs tors. theta energy: -272.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2654.558835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.558835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.558835 (E_RNA) where: Base-Base interactions energy: -1842.777 where: short stacking energy: -804.172 Base-Backbone interact. energy: -0.172 local terms energy: -811.609410 where: bonds (distance) C4'-P energy: -126.928 bonds (distance) P-C4' energy: -152.418 flat angles C4'-P-C4' energy: -175.085 flat angles P-C4'-P energy: -113.844 tors. eta vs tors. theta energy: -243.334 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: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2614.055217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.055217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.055217 (E_RNA) where: Base-Base interactions energy: -1807.381 where: short stacking energy: -804.734 Base-Backbone interact. energy: -5.085 local terms energy: -801.589502 where: bonds (distance) C4'-P energy: -145.827 bonds (distance) P-C4' energy: -151.770 flat angles C4'-P-C4' energy: -168.168 flat angles P-C4'-P energy: -99.275 tors. eta vs tors. theta energy: -236.551 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: 7, replica: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -2328.056146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.056146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.056146 (E_RNA) where: Base-Base interactions energy: -1618.523 where: short stacking energy: -702.628 Base-Backbone interact. energy: 0.582 local terms energy: -710.115847 where: bonds (distance) C4'-P energy: -118.421 bonds (distance) P-C4' energy: -142.005 flat angles C4'-P-C4' energy: -180.665 flat angles P-C4'-P energy: -84.237 tors. eta vs tors. theta energy: -184.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -2234.184666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.184666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.184666 (E_RNA) where: Base-Base interactions energy: -1537.744 where: short stacking energy: -644.384 Base-Backbone interact. energy: -2.012 local terms energy: -694.428941 where: bonds (distance) C4'-P energy: -120.739 bonds (distance) P-C4' energy: -137.127 flat angles C4'-P-C4' energy: -160.895 flat angles P-C4'-P energy: -93.934 tors. eta vs tors. theta energy: -181.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1576.118084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.118084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.118084 (E_RNA) where: Base-Base interactions energy: -1022.240 where: short stacking energy: -479.169 Base-Backbone interact. energy: 0.968 local terms energy: -554.845727 where: bonds (distance) C4'-P energy: -122.787 bonds (distance) P-C4' energy: -138.838 flat angles C4'-P-C4' energy: -133.852 flat angles P-C4'-P energy: -68.077 tors. eta vs tors. theta energy: -91.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -958.823980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.823980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.823980 (E_RNA) where: Base-Base interactions energy: -491.699 where: short stacking energy: -272.765 Base-Backbone interact. energy: 14.566 local terms energy: -481.690455 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -152.407 flat angles C4'-P-C4' energy: -115.864 flat angles P-C4'-P energy: -65.644 tors. eta vs tors. theta energy: -16.214 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: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3096.640594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.640594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.640594 (E_RNA) where: Base-Base interactions energy: -2162.571 where: short stacking energy: -955.828 Base-Backbone interact. energy: -1.436 local terms energy: -932.633651 where: bonds (distance) C4'-P energy: -172.364 bonds (distance) P-C4' energy: -160.715 flat angles C4'-P-C4' energy: -194.135 flat angles P-C4'-P energy: -126.887 tors. eta vs tors. theta energy: -278.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2937.049177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.049177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.049177 (E_RNA) where: Base-Base interactions energy: -2036.422 where: short stacking energy: -902.212 Base-Backbone interact. energy: -4.925 local terms energy: -895.701809 where: bonds (distance) C4'-P energy: -160.111 bonds (distance) P-C4' energy: -151.629 flat angles C4'-P-C4' energy: -191.783 flat angles P-C4'-P energy: -122.005 tors. eta vs tors. theta energy: -270.174 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: 3, replica: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2873.149484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.149484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.149484 (E_RNA) where: Base-Base interactions energy: -1991.912 where: short stacking energy: -853.617 Base-Backbone interact. energy: -2.433 local terms energy: -878.804599 where: bonds (distance) C4'-P energy: -148.922 bonds (distance) P-C4' energy: -172.323 flat angles C4'-P-C4' energy: -180.828 flat angles P-C4'-P energy: -122.347 tors. eta vs tors. theta energy: -254.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2811.536991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.536991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.536991 (E_RNA) where: Base-Base interactions energy: -1947.446 where: short stacking energy: -885.579 Base-Backbone interact. energy: -6.587 local terms energy: -857.503552 where: bonds (distance) C4'-P energy: -129.002 bonds (distance) P-C4' energy: -156.040 flat angles C4'-P-C4' energy: -184.943 flat angles P-C4'-P energy: -118.595 tors. eta vs tors. theta energy: -268.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2718.049868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.049868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.049868 (E_RNA) where: Base-Base interactions energy: -1893.069 where: short stacking energy: -818.511 Base-Backbone interact. energy: -3.777 local terms energy: -821.203366 where: bonds (distance) C4'-P energy: -139.092 bonds (distance) P-C4' energy: -145.289 flat angles C4'-P-C4' energy: -170.601 flat angles P-C4'-P energy: -119.920 tors. eta vs tors. theta energy: -246.301 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: 6, replica: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2599.035644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.035644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.035644 (E_RNA) where: Base-Base interactions energy: -1812.803 where: short stacking energy: -789.972 Base-Backbone interact. energy: -2.511 local terms energy: -783.721948 where: bonds (distance) C4'-P energy: -125.437 bonds (distance) P-C4' energy: -126.341 flat angles C4'-P-C4' energy: -170.678 flat angles P-C4'-P energy: -128.839 tors. eta vs tors. theta energy: -232.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -2378.505569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.505569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.505569 (E_RNA) where: Base-Base interactions energy: -1647.603 where: short stacking energy: -752.152 Base-Backbone interact. energy: -1.874 local terms energy: -729.027860 where: bonds (distance) C4'-P energy: -112.168 bonds (distance) P-C4' energy: -144.367 flat angles C4'-P-C4' energy: -166.369 flat angles P-C4'-P energy: -101.991 tors. eta vs tors. theta energy: -204.133 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: 1 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -2201.351022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.351022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.351022 (E_RNA) where: Base-Base interactions energy: -1521.430 where: short stacking energy: -628.513 Base-Backbone interact. energy: 0.080 local terms energy: -680.000895 where: bonds (distance) C4'-P energy: -127.512 bonds (distance) P-C4' energy: -126.546 flat angles C4'-P-C4' energy: -157.628 flat angles P-C4'-P energy: -94.343 tors. eta vs tors. theta energy: -173.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1516.484791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.484791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.484791 (E_RNA) where: Base-Base interactions energy: -986.192 where: short stacking energy: -472.351 Base-Backbone interact. energy: -0.300 local terms energy: -529.992277 where: bonds (distance) C4'-P energy: -91.570 bonds (distance) P-C4' energy: -125.886 flat angles C4'-P-C4' energy: -136.462 flat angles P-C4'-P energy: -79.554 tors. eta vs tors. theta energy: -96.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -981.486683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.486683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.486683 (E_RNA) where: Base-Base interactions energy: -550.273 where: short stacking energy: -308.125 Base-Backbone interact. energy: 10.312 local terms energy: -441.525756 where: bonds (distance) C4'-P energy: -119.000 bonds (distance) P-C4' energy: -132.325 flat angles C4'-P-C4' energy: -110.704 flat angles P-C4'-P energy: -71.691 tors. eta vs tors. theta energy: -7.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -3108.191988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.191988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.191988 (E_RNA) where: Base-Base interactions energy: -2180.497 where: short stacking energy: -941.206 Base-Backbone interact. energy: -5.068 local terms energy: -922.626512 where: bonds (distance) C4'-P energy: -162.295 bonds (distance) P-C4' energy: -162.582 flat angles C4'-P-C4' energy: -189.514 flat angles P-C4'-P energy: -126.443 tors. eta vs tors. theta energy: -281.792 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: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2935.155679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.155679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.155679 (E_RNA) where: Base-Base interactions energy: -2014.512 where: short stacking energy: -887.777 Base-Backbone interact. energy: -1.299 local terms energy: -919.344315 where: bonds (distance) C4'-P energy: -167.093 bonds (distance) P-C4' energy: -150.267 flat angles C4'-P-C4' energy: -204.184 flat angles P-C4'-P energy: -134.443 tors. eta vs tors. theta energy: -263.358 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: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2892.317629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.317629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.317629 (E_RNA) where: Base-Base interactions energy: -2002.352 where: short stacking energy: -880.622 Base-Backbone interact. energy: -2.872 local terms energy: -887.093467 where: bonds (distance) C4'-P energy: -160.058 bonds (distance) P-C4' energy: -156.959 flat angles C4'-P-C4' energy: -181.588 flat angles P-C4'-P energy: -129.678 tors. eta vs tors. theta energy: -258.810 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: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2868.020467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.020467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.020467 (E_RNA) where: Base-Base interactions energy: -1995.285 where: short stacking energy: -907.827 Base-Backbone interact. energy: -3.856 local terms energy: -868.879202 where: bonds (distance) C4'-P energy: -149.306 bonds (distance) P-C4' energy: -160.424 flat angles C4'-P-C4' energy: -178.791 flat angles P-C4'-P energy: -112.112 tors. eta vs tors. theta energy: -268.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2689.442986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.442986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.442986 (E_RNA) where: Base-Base interactions energy: -1889.817 where: short stacking energy: -815.671 Base-Backbone interact. energy: 0.950 local terms energy: -800.576126 where: bonds (distance) C4'-P energy: -130.889 bonds (distance) P-C4' energy: -144.258 flat angles C4'-P-C4' energy: -175.892 flat angles P-C4'-P energy: -109.124 tors. eta vs tors. theta energy: -240.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2567.926939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.926939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.926939 (E_RNA) where: Base-Base interactions energy: -1795.295 where: short stacking energy: -789.124 Base-Backbone interact. energy: -1.541 local terms energy: -771.090278 where: bonds (distance) C4'-P energy: -138.190 bonds (distance) P-C4' energy: -145.685 flat angles C4'-P-C4' energy: -170.104 flat angles P-C4'-P energy: -91.530 tors. eta vs tors. theta energy: -225.581 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: 6 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -2285.162982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.162982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.162982 (E_RNA) where: Base-Base interactions energy: -1562.387 where: short stacking energy: -668.526 Base-Backbone interact. energy: -2.124 local terms energy: -720.651580 where: bonds (distance) C4'-P energy: -139.791 bonds (distance) P-C4' energy: -134.341 flat angles C4'-P-C4' energy: -161.441 flat angles P-C4'-P energy: -103.282 tors. eta vs tors. theta energy: -181.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -2115.851546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.851546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.851546 (E_RNA) where: Base-Base interactions energy: -1458.500 where: short stacking energy: -656.714 Base-Backbone interact. energy: -4.678 local terms energy: -652.672791 where: bonds (distance) C4'-P energy: -133.578 bonds (distance) P-C4' energy: -129.084 flat angles C4'-P-C4' energy: -132.738 flat angles P-C4'-P energy: -94.155 tors. eta vs tors. theta energy: -163.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1468.261162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.261162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.261162 (E_RNA) where: Base-Base interactions energy: -872.736 where: short stacking energy: -416.445 Base-Backbone interact. energy: -0.188 local terms energy: -595.337692 where: bonds (distance) C4'-P energy: -125.536 bonds (distance) P-C4' energy: -135.050 flat angles C4'-P-C4' energy: -163.307 flat angles P-C4'-P energy: -81.077 tors. eta vs tors. theta energy: -90.367 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: 10 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1016.826222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.826222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.826222 (E_RNA) where: Base-Base interactions energy: -553.202 where: short stacking energy: -283.566 Base-Backbone interact. energy: -1.611 local terms energy: -462.012842 where: bonds (distance) C4'-P energy: -144.823 bonds (distance) P-C4' energy: -115.525 flat angles C4'-P-C4' energy: -117.965 flat angles P-C4'-P energy: -71.412 tors. eta vs tors. theta energy: -12.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3106.299663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.299663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.299663 (E_RNA) where: Base-Base interactions energy: -2176.065 where: short stacking energy: -912.870 Base-Backbone interact. energy: -2.900 local terms energy: -927.334208 where: bonds (distance) C4'-P energy: -164.096 bonds (distance) P-C4' energy: -165.493 flat angles C4'-P-C4' energy: -182.384 flat angles P-C4'-P energy: -131.434 tors. eta vs tors. theta energy: -283.927 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: 2, replica: 7 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2944.030540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.030540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.030540 (E_RNA) where: Base-Base interactions energy: -2043.420 where: short stacking energy: -908.395 Base-Backbone interact. energy: -1.061 local terms energy: -899.550000 where: bonds (distance) C4'-P energy: -159.874 bonds (distance) P-C4' energy: -162.643 flat angles C4'-P-C4' energy: -179.404 flat angles P-C4'-P energy: -129.126 tors. eta vs tors. theta energy: -268.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2895.025576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.025576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.025576 (E_RNA) where: Base-Base interactions energy: -2021.181 where: short stacking energy: -861.900 Base-Backbone interact. energy: -1.005 local terms energy: -872.839908 where: bonds (distance) C4'-P energy: -148.964 bonds (distance) P-C4' energy: -167.947 flat angles C4'-P-C4' energy: -180.293 flat angles P-C4'-P energy: -118.686 tors. eta vs tors. theta energy: -256.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2827.925837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.925837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.925837 (E_RNA) where: Base-Base interactions energy: -1959.347 where: short stacking energy: -881.107 Base-Backbone interact. energy: -3.203 local terms energy: -865.375131 where: bonds (distance) C4'-P energy: -137.330 bonds (distance) P-C4' energy: -151.631 flat angles C4'-P-C4' energy: -189.464 flat angles P-C4'-P energy: -118.989 tors. eta vs tors. theta energy: -267.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2655.559408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.559408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.559408 (E_RNA) where: Base-Base interactions energy: -1884.707 where: short stacking energy: -804.643 Base-Backbone interact. energy: -1.084 local terms energy: -769.768060 where: bonds (distance) C4'-P energy: -120.807 bonds (distance) P-C4' energy: -146.692 flat angles C4'-P-C4' energy: -165.826 flat angles P-C4'-P energy: -110.773 tors. eta vs tors. theta energy: -225.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2566.563630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.563630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.563630 (E_RNA) where: Base-Base interactions energy: -1761.188 where: short stacking energy: -763.238 Base-Backbone interact. energy: -4.894 local terms energy: -800.481080 where: bonds (distance) C4'-P energy: -146.456 bonds (distance) P-C4' energy: -154.318 flat angles C4'-P-C4' energy: -164.437 flat angles P-C4'-P energy: -109.868 tors. eta vs tors. theta energy: -225.401 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: 6 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2394.483172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.483172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.483172 (E_RNA) where: Base-Base interactions energy: -1655.186 where: short stacking energy: -717.293 Base-Backbone interact. energy: -1.029 local terms energy: -738.268538 where: bonds (distance) C4'-P energy: -128.809 bonds (distance) P-C4' energy: -139.718 flat angles C4'-P-C4' energy: -163.216 flat angles P-C4'-P energy: -111.586 tors. eta vs tors. theta energy: -194.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -2114.253388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.253388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.253388 (E_RNA) where: Base-Base interactions energy: -1438.322 where: short stacking energy: -623.276 Base-Backbone interact. energy: 0.852 local terms energy: -676.783341 where: bonds (distance) C4'-P energy: -128.056 bonds (distance) P-C4' energy: -120.225 flat angles C4'-P-C4' energy: -165.607 flat angles P-C4'-P energy: -103.499 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: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1536.565651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.565651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.565651 (E_RNA) where: Base-Base interactions energy: -943.353 where: short stacking energy: -458.558 Base-Backbone interact. energy: -0.513 local terms energy: -592.700088 where: bonds (distance) C4'-P energy: -133.251 bonds (distance) P-C4' energy: -136.978 flat angles C4'-P-C4' energy: -147.609 flat angles P-C4'-P energy: -85.106 tors. eta vs tors. theta energy: -89.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1061.566571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.566571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.566571 (E_RNA) where: Base-Base interactions energy: -574.939 where: short stacking energy: -302.852 Base-Backbone interact. energy: 0.795 local terms energy: -487.422526 where: bonds (distance) C4'-P energy: -126.487 bonds (distance) P-C4' energy: -135.728 flat angles C4'-P-C4' energy: -133.089 flat angles P-C4'-P energy: -67.845 tors. eta vs tors. theta energy: -24.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3110.291399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.291399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.291399 (E_RNA) where: Base-Base interactions energy: -2164.016 where: short stacking energy: -938.114 Base-Backbone interact. energy: -5.999 local terms energy: -940.276772 where: bonds (distance) C4'-P energy: -172.507 bonds (distance) P-C4' energy: -152.226 flat angles C4'-P-C4' energy: -194.622 flat angles P-C4'-P energy: -142.721 tors. eta vs tors. theta energy: -278.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2948.191948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.191948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.191948 (E_RNA) where: Base-Base interactions energy: -2047.219 where: short stacking energy: -904.935 Base-Backbone interact. energy: 2.674 local terms energy: -903.647410 where: bonds (distance) C4'-P energy: -146.406 bonds (distance) P-C4' energy: -156.719 flat angles C4'-P-C4' energy: -187.678 flat angles P-C4'-P energy: -141.841 tors. eta vs tors. theta energy: -271.004 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: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2844.836267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.836267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.836267 (E_RNA) where: Base-Base interactions energy: -1979.398 where: short stacking energy: -855.842 Base-Backbone interact. energy: -3.445 local terms energy: -861.993722 where: bonds (distance) C4'-P energy: -154.873 bonds (distance) P-C4' energy: -160.058 flat angles C4'-P-C4' energy: -176.086 flat angles P-C4'-P energy: -129.155 tors. eta vs tors. theta energy: -241.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2846.661150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.661150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.661150 (E_RNA) where: Base-Base interactions energy: -1982.552 where: short stacking energy: -915.889 Base-Backbone interact. energy: -3.432 local terms energy: -860.676206 where: bonds (distance) C4'-P energy: -127.714 bonds (distance) P-C4' energy: -125.103 flat angles C4'-P-C4' energy: -203.299 flat angles P-C4'-P energy: -130.652 tors. eta vs tors. theta energy: -273.907 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: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2732.795938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.795938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.795938 (E_RNA) where: Base-Base interactions energy: -1899.933 where: short stacking energy: -870.602 Base-Backbone interact. energy: -2.771 local terms energy: -830.091794 where: bonds (distance) C4'-P energy: -142.877 bonds (distance) P-C4' energy: -149.233 flat angles C4'-P-C4' energy: -176.475 flat angles P-C4'-P energy: -114.737 tors. eta vs tors. theta energy: -246.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2564.330776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.330776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.330776 (E_RNA) where: Base-Base interactions energy: -1767.992 where: short stacking energy: -799.856 Base-Backbone interact. energy: -4.763 local terms energy: -791.576103 where: bonds (distance) C4'-P energy: -131.142 bonds (distance) P-C4' energy: -171.001 flat angles C4'-P-C4' energy: -159.875 flat angles P-C4'-P energy: -97.532 tors. eta vs tors. theta energy: -232.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -2374.785574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.785574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.785574 (E_RNA) where: Base-Base interactions energy: -1622.293 where: short stacking energy: -688.914 Base-Backbone interact. energy: -4.708 local terms energy: -747.785495 where: bonds (distance) C4'-P energy: -133.772 bonds (distance) P-C4' energy: -157.393 flat angles C4'-P-C4' energy: -167.737 flat angles P-C4'-P energy: -97.297 tors. eta vs tors. theta energy: -191.586 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: 1 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -2092.731727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.731727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.731727 (E_RNA) where: Base-Base interactions energy: -1429.251 where: short stacking energy: -631.858 Base-Backbone interact. energy: -1.541 local terms energy: -661.939085 where: bonds (distance) C4'-P energy: -129.855 bonds (distance) P-C4' energy: -123.211 flat angles C4'-P-C4' energy: -137.584 flat angles P-C4'-P energy: -110.964 tors. eta vs tors. theta energy: -160.325 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: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1452.457030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.457030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.457030 (E_RNA) where: Base-Base interactions energy: -887.440 where: short stacking energy: -434.856 Base-Backbone interact. energy: -1.711 local terms energy: -563.306565 where: bonds (distance) C4'-P energy: -124.390 bonds (distance) P-C4' energy: -152.350 flat angles C4'-P-C4' energy: -130.872 flat angles P-C4'-P energy: -82.998 tors. eta vs tors. theta energy: -72.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1001.475396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.475396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.475396 (E_RNA) where: Base-Base interactions energy: -519.155 where: short stacking energy: -297.364 Base-Backbone interact. energy: 4.600 local terms energy: -486.920013 where: bonds (distance) C4'-P energy: -137.268 bonds (distance) P-C4' energy: -122.887 flat angles C4'-P-C4' energy: -125.177 flat angles P-C4'-P energy: -79.290 tors. eta vs tors. theta energy: -22.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3110.588259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.588259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.588259 (E_RNA) where: Base-Base interactions energy: -2219.074 where: short stacking energy: -933.087 Base-Backbone interact. energy: -0.974 local terms energy: -890.540691 where: bonds (distance) C4'-P energy: -164.577 bonds (distance) P-C4' energy: -152.106 flat angles C4'-P-C4' energy: -184.960 flat angles P-C4'-P energy: -118.237 tors. eta vs tors. theta energy: -270.661 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: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2969.474367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.474367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.474367 (E_RNA) where: Base-Base interactions energy: -2056.213 where: short stacking energy: -895.315 Base-Backbone interact. energy: -3.034 local terms energy: -910.226908 where: bonds (distance) C4'-P energy: -161.817 bonds (distance) P-C4' energy: -162.503 flat angles C4'-P-C4' energy: -187.923 flat angles P-C4'-P energy: -132.495 tors. eta vs tors. theta energy: -265.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2889.575695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.575695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.575695 (E_RNA) where: Base-Base interactions energy: -1982.880 where: short stacking energy: -911.659 Base-Backbone interact. energy: -0.233 local terms energy: -906.463295 where: bonds (distance) C4'-P energy: -162.496 bonds (distance) P-C4' energy: -146.706 flat angles C4'-P-C4' energy: -186.663 flat angles P-C4'-P energy: -138.781 tors. eta vs tors. theta energy: -271.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2812.631613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.631613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.631613 (E_RNA) where: Base-Base interactions energy: -1921.054 where: short stacking energy: -825.982 Base-Backbone interact. energy: -2.650 local terms energy: -888.926785 where: bonds (distance) C4'-P energy: -145.820 bonds (distance) P-C4' energy: -174.312 flat angles C4'-P-C4' energy: -190.584 flat angles P-C4'-P energy: -130.238 tors. eta vs tors. theta energy: -247.973 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: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2738.724133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.724133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.724133 (E_RNA) where: Base-Base interactions energy: -1899.698 where: short stacking energy: -848.954 Base-Backbone interact. energy: -1.128 local terms energy: -837.898326 where: bonds (distance) C4'-P energy: -149.208 bonds (distance) P-C4' energy: -141.204 flat angles C4'-P-C4' energy: -173.091 flat angles P-C4'-P energy: -116.817 tors. eta vs tors. theta energy: -257.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2563.521143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.521143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.521143 (E_RNA) where: Base-Base interactions energy: -1755.288 where: short stacking energy: -754.323 Base-Backbone interact. energy: -3.689 local terms energy: -804.544013 where: bonds (distance) C4'-P energy: -155.827 bonds (distance) P-C4' energy: -149.800 flat angles C4'-P-C4' energy: -180.547 flat angles P-C4'-P energy: -96.952 tors. eta vs tors. theta energy: -221.417 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: 6 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2324.124560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.124560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.124560 (E_RNA) where: Base-Base interactions energy: -1609.309 where: short stacking energy: -724.980 Base-Backbone interact. energy: -0.285 local terms energy: -714.530797 where: bonds (distance) C4'-P energy: -129.718 bonds (distance) P-C4' energy: -152.347 flat angles C4'-P-C4' energy: -145.775 flat angles P-C4'-P energy: -105.992 tors. eta vs tors. theta energy: -180.699 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: 8, replica: 1 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -2115.530877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.530877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.530877 (E_RNA) where: Base-Base interactions energy: -1421.320 where: short stacking energy: -630.599 Base-Backbone interact. energy: -2.954 local terms energy: -691.256499 where: bonds (distance) C4'-P energy: -113.690 bonds (distance) P-C4' energy: -152.096 flat angles C4'-P-C4' energy: -170.543 flat angles P-C4'-P energy: -88.029 tors. eta vs tors. theta energy: -166.898 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: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1388.624623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.624623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.624623 (E_RNA) where: Base-Base interactions energy: -843.583 where: short stacking energy: -394.665 Base-Backbone interact. energy: -3.702 local terms energy: -541.338990 where: bonds (distance) C4'-P energy: -134.262 bonds (distance) P-C4' energy: -145.524 flat angles C4'-P-C4' energy: -119.595 flat angles P-C4'-P energy: -75.165 tors. eta vs tors. theta energy: -66.794 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: 166 Temperature: 1.350000 Total energy: -944.145337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.145337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.145337 (E_RNA) where: Base-Base interactions energy: -499.344 where: short stacking energy: -265.878 Base-Backbone interact. energy: 3.838 local terms energy: -448.639707 where: bonds (distance) C4'-P energy: -114.277 bonds (distance) P-C4' energy: -132.162 flat angles C4'-P-C4' energy: -103.213 flat angles P-C4'-P energy: -82.356 tors. eta vs tors. theta energy: -16.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3089.289856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.289856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.289856 (E_RNA) where: Base-Base interactions energy: -2158.397 where: short stacking energy: -927.098 Base-Backbone interact. energy: -3.873 local terms energy: -927.020225 where: bonds (distance) C4'-P energy: -155.328 bonds (distance) P-C4' energy: -174.549 flat angles C4'-P-C4' energy: -188.449 flat angles P-C4'-P energy: -131.166 tors. eta vs tors. theta energy: -277.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2968.312344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.312344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.312344 (E_RNA) where: Base-Base interactions energy: -2064.107 where: short stacking energy: -903.160 Base-Backbone interact. energy: -3.192 local terms energy: -901.012907 where: bonds (distance) C4'-P energy: -167.727 bonds (distance) P-C4' energy: -170.840 flat angles C4'-P-C4' energy: -167.815 flat angles P-C4'-P energy: -128.462 tors. eta vs tors. theta energy: -266.169 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: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2924.759955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.759955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.759955 (E_RNA) where: Base-Base interactions energy: -2029.115 where: short stacking energy: -895.077 Base-Backbone interact. energy: -0.228 local terms energy: -895.417340 where: bonds (distance) C4'-P energy: -152.559 bonds (distance) P-C4' energy: -160.664 flat angles C4'-P-C4' energy: -189.502 flat angles P-C4'-P energy: -130.048 tors. eta vs tors. theta energy: -262.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2766.753614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.753614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.753614 (E_RNA) where: Base-Base interactions energy: -1906.737 where: short stacking energy: -840.733 Base-Backbone interact. energy: -4.236 local terms energy: -855.780308 where: bonds (distance) C4'-P energy: -148.861 bonds (distance) P-C4' energy: -155.975 flat angles C4'-P-C4' energy: -176.523 flat angles P-C4'-P energy: -119.589 tors. eta vs tors. theta energy: -254.833 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: 8 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2725.682068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.682068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.682068 (E_RNA) where: Base-Base interactions energy: -1878.984 where: short stacking energy: -831.273 Base-Backbone interact. energy: 0.666 local terms energy: -847.364068 where: bonds (distance) C4'-P energy: -162.521 bonds (distance) P-C4' energy: -128.919 flat angles C4'-P-C4' energy: -181.779 flat angles P-C4'-P energy: -117.277 tors. eta vs tors. theta energy: -256.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2570.485397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.485397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.485397 (E_RNA) where: Base-Base interactions energy: -1756.088 where: short stacking energy: -755.225 Base-Backbone interact. energy: -1.024 local terms energy: -813.373212 where: bonds (distance) C4'-P energy: -140.724 bonds (distance) P-C4' energy: -149.847 flat angles C4'-P-C4' energy: -180.781 flat angles P-C4'-P energy: -110.986 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: 7, replica: 6 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -2359.511534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.511534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.511534 (E_RNA) where: Base-Base interactions energy: -1601.976 where: short stacking energy: -724.268 Base-Backbone interact. energy: -3.340 local terms energy: -754.195378 where: bonds (distance) C4'-P energy: -146.754 bonds (distance) P-C4' energy: -140.434 flat angles C4'-P-C4' energy: -165.190 flat angles P-C4'-P energy: -103.151 tors. eta vs tors. theta energy: -198.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -2154.680309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.680309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.680309 (E_RNA) where: Base-Base interactions energy: -1518.230 where: short stacking energy: -662.152 Base-Backbone interact. energy: -0.136 local terms energy: -636.313518 where: bonds (distance) C4'-P energy: -103.700 bonds (distance) P-C4' energy: -135.089 flat angles C4'-P-C4' energy: -143.043 flat angles P-C4'-P energy: -81.776 tors. eta vs tors. theta energy: -172.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1460.043129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.043129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.043129 (E_RNA) where: Base-Base interactions energy: -923.508 where: short stacking energy: -442.022 Base-Backbone interact. energy: -2.328 local terms energy: -534.207302 where: bonds (distance) C4'-P energy: -120.162 bonds (distance) P-C4' energy: -118.887 flat angles C4'-P-C4' energy: -135.650 flat angles P-C4'-P energy: -77.036 tors. eta vs tors. theta energy: -82.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -975.045386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.045386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.045386 (E_RNA) where: Base-Base interactions energy: -520.851 where: short stacking energy: -308.038 Base-Backbone interact. energy: 7.308 local terms energy: -461.502168 where: bonds (distance) C4'-P energy: -126.416 bonds (distance) P-C4' energy: -124.706 flat angles C4'-P-C4' energy: -126.107 flat angles P-C4'-P energy: -70.153 tors. eta vs tors. theta energy: -14.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3117.162604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.162604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.162604 (E_RNA) where: Base-Base interactions energy: -2176.794 where: short stacking energy: -928.057 Base-Backbone interact. energy: 0.015 local terms energy: -940.382969 where: bonds (distance) C4'-P energy: -157.131 bonds (distance) P-C4' energy: -172.824 flat angles C4'-P-C4' energy: -205.384 flat angles P-C4'-P energy: -133.762 tors. eta vs tors. theta energy: -271.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2963.584239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.584239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.584239 (E_RNA) where: Base-Base interactions energy: -2067.396 where: short stacking energy: -887.538 Base-Backbone interact. energy: -2.238 local terms energy: -893.950267 where: bonds (distance) C4'-P energy: -156.060 bonds (distance) P-C4' energy: -168.880 flat angles C4'-P-C4' energy: -189.065 flat angles P-C4'-P energy: -116.970 tors. eta vs tors. theta energy: -262.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2931.217562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.217562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.217562 (E_RNA) where: Base-Base interactions energy: -2036.271 where: short stacking energy: -916.480 Base-Backbone interact. energy: -5.337 local terms energy: -889.609764 where: bonds (distance) C4'-P energy: -145.674 bonds (distance) P-C4' energy: -162.651 flat angles C4'-P-C4' energy: -185.503 flat angles P-C4'-P energy: -113.961 tors. eta vs tors. theta energy: -281.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2746.009635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.009635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.009635 (E_RNA) where: Base-Base interactions energy: -1921.497 where: short stacking energy: -817.518 Base-Backbone interact. energy: 1.512 local terms energy: -826.024088 where: bonds (distance) C4'-P energy: -130.083 bonds (distance) P-C4' energy: -154.210 flat angles C4'-P-C4' energy: -180.711 flat angles P-C4'-P energy: -119.945 tors. eta vs tors. theta energy: -241.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2680.943390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.943390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.943390 (E_RNA) where: Base-Base interactions energy: -1862.115 where: short stacking energy: -806.391 Base-Backbone interact. energy: -4.096 local terms energy: -814.731610 where: bonds (distance) C4'-P energy: -140.120 bonds (distance) P-C4' energy: -146.505 flat angles C4'-P-C4' energy: -180.339 flat angles P-C4'-P energy: -114.617 tors. eta vs tors. theta energy: -233.150 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: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2585.109572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.109572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.109572 (E_RNA) where: Base-Base interactions energy: -1781.853 where: short stacking energy: -783.918 Base-Backbone interact. energy: -2.260 local terms energy: -800.996467 where: bonds (distance) C4'-P energy: -142.722 bonds (distance) P-C4' energy: -129.268 flat angles C4'-P-C4' energy: -178.414 flat angles P-C4'-P energy: -114.975 tors. eta vs tors. theta energy: -235.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -2317.560891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.560891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.560891 (E_RNA) where: Base-Base interactions energy: -1569.914 where: short stacking energy: -689.785 Base-Backbone interact. energy: -0.169 local terms energy: -747.478084 where: bonds (distance) C4'-P energy: -144.613 bonds (distance) P-C4' energy: -137.089 flat angles C4'-P-C4' energy: -168.473 flat angles P-C4'-P energy: -117.915 tors. eta vs tors. theta energy: -179.388 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: 1 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -2195.713192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.713192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.713192 (E_RNA) where: Base-Base interactions energy: -1504.013 where: short stacking energy: -658.303 Base-Backbone interact. energy: -2.614 local terms energy: -689.086446 where: bonds (distance) C4'-P energy: -121.839 bonds (distance) P-C4' energy: -136.705 flat angles C4'-P-C4' energy: -160.018 flat angles P-C4'-P energy: -103.229 tors. eta vs tors. theta energy: -167.296 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: 168 Temperature: 1.300000 Total energy: -1471.317964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.317964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.317964 (E_RNA) where: Base-Base interactions energy: -924.664 where: short stacking energy: -458.428 Base-Backbone interact. energy: -3.231 local terms energy: -543.422954 where: bonds (distance) C4'-P energy: -132.739 bonds (distance) P-C4' energy: -130.821 flat angles C4'-P-C4' energy: -132.367 flat angles P-C4'-P energy: -84.050 tors. eta vs tors. theta energy: -63.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -989.881139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.881139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.881139 (E_RNA) where: Base-Base interactions energy: -536.273 where: short stacking energy: -300.189 Base-Backbone interact. energy: 0.053 local terms energy: -453.660449 where: bonds (distance) C4'-P energy: -116.772 bonds (distance) P-C4' energy: -132.771 flat angles C4'-P-C4' energy: -115.210 flat angles P-C4'-P energy: -74.483 tors. eta vs tors. theta energy: -14.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3104.133424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.133424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.133424 (E_RNA) where: Base-Base interactions energy: -2157.734 where: short stacking energy: -951.752 Base-Backbone interact. energy: -1.679 local terms energy: -944.720675 where: bonds (distance) C4'-P energy: -173.275 bonds (distance) P-C4' energy: -171.102 flat angles C4'-P-C4' energy: -198.569 flat angles P-C4'-P energy: -130.134 tors. eta vs tors. theta energy: -271.641 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: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2986.930461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.930461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.930461 (E_RNA) where: Base-Base interactions energy: -2076.719 where: short stacking energy: -975.592 Base-Backbone interact. energy: -2.963 local terms energy: -907.248525 where: bonds (distance) C4'-P energy: -156.324 bonds (distance) P-C4' energy: -155.708 flat angles C4'-P-C4' energy: -181.932 flat angles P-C4'-P energy: -121.609 tors. eta vs tors. theta energy: -291.676 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: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2885.988948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.988948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.988948 (E_RNA) where: Base-Base interactions energy: -2034.168 where: short stacking energy: -879.562 Base-Backbone interact. energy: 2.586 local terms energy: -854.407574 where: bonds (distance) C4'-P energy: -131.416 bonds (distance) P-C4' energy: -159.825 flat angles C4'-P-C4' energy: -183.616 flat angles P-C4'-P energy: -116.284 tors. eta vs tors. theta energy: -263.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2732.172945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.172945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.172945 (E_RNA) where: Base-Base interactions energy: -1896.365 where: short stacking energy: -802.150 Base-Backbone interact. energy: -3.622 local terms energy: -832.185986 where: bonds (distance) C4'-P energy: -137.992 bonds (distance) P-C4' energy: -158.990 flat angles C4'-P-C4' energy: -179.158 flat angles P-C4'-P energy: -131.436 tors. eta vs tors. theta energy: -224.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2672.133814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.133814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.133814 (E_RNA) where: Base-Base interactions energy: -1858.296 where: short stacking energy: -841.522 Base-Backbone interact. energy: -2.279 local terms energy: -811.558053 where: bonds (distance) C4'-P energy: -152.340 bonds (distance) P-C4' energy: -125.566 flat angles C4'-P-C4' energy: -174.191 flat angles P-C4'-P energy: -115.181 tors. eta vs tors. theta energy: -244.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2545.156577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.156577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.156577 (E_RNA) where: Base-Base interactions energy: -1778.109 where: short stacking energy: -777.196 Base-Backbone interact. energy: -0.267 local terms energy: -766.781024 where: bonds (distance) C4'-P energy: -137.439 bonds (distance) P-C4' energy: -129.836 flat angles C4'-P-C4' energy: -164.429 flat angles P-C4'-P energy: -105.697 tors. eta vs tors. theta energy: -229.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2322.846349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.846349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.846349 (E_RNA) where: Base-Base interactions energy: -1596.797 where: short stacking energy: -688.292 Base-Backbone interact. energy: 0.964 local terms energy: -727.013543 where: bonds (distance) C4'-P energy: -131.368 bonds (distance) P-C4' energy: -140.988 flat angles C4'-P-C4' energy: -155.999 flat angles P-C4'-P energy: -106.936 tors. eta vs tors. theta energy: -191.723 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: 169 Temperature: 1.250000 Total energy: -2124.326594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.326594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.326594 (E_RNA) where: Base-Base interactions energy: -1448.530 where: short stacking energy: -653.221 Base-Backbone interact. energy: -1.083 local terms energy: -674.713449 where: bonds (distance) C4'-P energy: -128.007 bonds (distance) P-C4' energy: -137.996 flat angles C4'-P-C4' energy: -144.039 flat angles P-C4'-P energy: -104.091 tors. eta vs tors. theta energy: -160.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1412.032549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.032549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.032549 (E_RNA) where: Base-Base interactions energy: -867.025 where: short stacking energy: -407.806 Base-Backbone interact. energy: -2.036 local terms energy: -542.971455 where: bonds (distance) C4'-P energy: -141.341 bonds (distance) P-C4' energy: -137.393 flat angles C4'-P-C4' energy: -122.509 flat angles P-C4'-P energy: -89.574 tors. eta vs tors. theta energy: -52.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1011.992173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.992173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.992173 (E_RNA) where: Base-Base interactions energy: -561.639 where: short stacking energy: -315.964 Base-Backbone interact. energy: 2.326 local terms energy: -452.680133 where: bonds (distance) C4'-P energy: -132.412 bonds (distance) P-C4' energy: -134.313 flat angles C4'-P-C4' energy: -125.364 flat angles P-C4'-P energy: -54.233 tors. eta vs tors. theta energy: -6.357 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: 3 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -3119.033769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.033769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.033769 (E_RNA) where: Base-Base interactions energy: -2155.237 where: short stacking energy: -932.879 Base-Backbone interact. energy: 0.006 local terms energy: -963.803362 where: bonds (distance) C4'-P energy: -167.821 bonds (distance) P-C4' energy: -176.920 flat angles C4'-P-C4' energy: -199.929 flat angles P-C4'-P energy: -149.218 tors. eta vs tors. theta energy: -269.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2969.201452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.201452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.201452 (E_RNA) where: Base-Base interactions energy: -2056.825 where: short stacking energy: -920.994 Base-Backbone interact. energy: -0.700 local terms energy: -911.677054 where: bonds (distance) C4'-P energy: -153.296 bonds (distance) P-C4' energy: -173.776 flat angles C4'-P-C4' energy: -185.263 flat angles P-C4'-P energy: -121.360 tors. eta vs tors. theta energy: -277.982 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: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2903.840179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.840179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.840179 (E_RNA) where: Base-Base interactions energy: -2015.518 where: short stacking energy: -900.652 Base-Backbone interact. energy: 1.624 local terms energy: -889.946598 where: bonds (distance) C4'-P energy: -162.456 bonds (distance) P-C4' energy: -159.617 flat angles C4'-P-C4' energy: -181.275 flat angles P-C4'-P energy: -126.672 tors. eta vs tors. theta energy: -259.927 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: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2777.626807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.626807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.626807 (E_RNA) where: Base-Base interactions energy: -1891.704 where: short stacking energy: -853.454 Base-Backbone interact. energy: -3.825 local terms energy: -882.097387 where: bonds (distance) C4'-P energy: -150.640 bonds (distance) P-C4' energy: -165.366 flat angles C4'-P-C4' energy: -184.021 flat angles P-C4'-P energy: -131.244 tors. eta vs tors. theta energy: -250.826 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: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2690.828599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.828599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.828599 (E_RNA) where: Base-Base interactions energy: -1840.878 where: short stacking energy: -810.916 Base-Backbone interact. energy: -5.978 local terms energy: -843.972896 where: bonds (distance) C4'-P energy: -145.162 bonds (distance) P-C4' energy: -163.836 flat angles C4'-P-C4' energy: -175.600 flat angles P-C4'-P energy: -112.292 tors. eta vs tors. theta energy: -247.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2575.203847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.203847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.203847 (E_RNA) where: Base-Base interactions energy: -1792.088 where: short stacking energy: -770.219 Base-Backbone interact. energy: -4.390 local terms energy: -778.726195 where: bonds (distance) C4'-P energy: -138.189 bonds (distance) P-C4' energy: -131.069 flat angles C4'-P-C4' energy: -178.112 flat angles P-C4'-P energy: -103.541 tors. eta vs tors. theta energy: -227.816 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: 6 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -2350.902441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.902441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.902441 (E_RNA) where: Base-Base interactions energy: -1655.480 where: short stacking energy: -712.984 Base-Backbone interact. energy: -2.293 local terms energy: -693.129148 where: bonds (distance) C4'-P energy: -122.344 bonds (distance) P-C4' energy: -115.093 flat angles C4'-P-C4' energy: -163.764 flat angles P-C4'-P energy: -100.511 tors. eta vs tors. theta energy: -191.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -2077.458612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.458612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.458612 (E_RNA) where: Base-Base interactions energy: -1437.368 where: short stacking energy: -622.403 Base-Backbone interact. energy: -3.157 local terms energy: -636.933815 where: bonds (distance) C4'-P energy: -133.261 bonds (distance) P-C4' energy: -135.580 flat angles C4'-P-C4' energy: -126.411 flat angles P-C4'-P energy: -95.384 tors. eta vs tors. theta energy: -146.298 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: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1429.694550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.694550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.694550 (E_RNA) where: Base-Base interactions energy: -877.906 where: short stacking energy: -429.767 Base-Backbone interact. energy: 4.528 local terms energy: -556.316026 where: bonds (distance) C4'-P energy: -151.760 bonds (distance) P-C4' energy: -148.657 flat angles C4'-P-C4' energy: -127.654 flat angles P-C4'-P energy: -66.574 tors. eta vs tors. theta energy: -61.672 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: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1028.616080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.616080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.616080 (E_RNA) where: Base-Base interactions energy: -599.049 where: short stacking energy: -308.825 Base-Backbone interact. energy: 7.202 local terms energy: -436.769444 where: bonds (distance) C4'-P energy: -131.046 bonds (distance) P-C4' energy: -121.849 flat angles C4'-P-C4' energy: -113.833 flat angles P-C4'-P energy: -57.727 tors. eta vs tors. theta energy: -12.315 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: 1, replica: 3 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3104.969344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.969344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.969344 (E_RNA) where: Base-Base interactions energy: -2183.113 where: short stacking energy: -926.696 Base-Backbone interact. energy: -4.447 local terms energy: -917.409308 where: bonds (distance) C4'-P energy: -153.687 bonds (distance) P-C4' energy: -158.583 flat angles C4'-P-C4' energy: -197.804 flat angles P-C4'-P energy: -139.020 tors. eta vs tors. theta energy: -268.315 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: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2994.400686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.400686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.400686 (E_RNA) where: Base-Base interactions energy: -2082.740 where: short stacking energy: -915.949 Base-Backbone interact. energy: -7.706 local terms energy: -903.955105 where: bonds (distance) C4'-P energy: -152.813 bonds (distance) P-C4' energy: -166.353 flat angles C4'-P-C4' energy: -183.857 flat angles P-C4'-P energy: -140.190 tors. eta vs tors. theta energy: -260.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2918.506203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.506203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.506203 (E_RNA) where: Base-Base interactions energy: -2022.466 where: short stacking energy: -906.582 Base-Backbone interact. energy: -4.648 local terms energy: -891.392240 where: bonds (distance) C4'-P energy: -150.146 bonds (distance) P-C4' energy: -152.813 flat angles C4'-P-C4' energy: -191.318 flat angles P-C4'-P energy: -123.181 tors. eta vs tors. theta energy: -273.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2791.237731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.237731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.237731 (E_RNA) where: Base-Base interactions energy: -1902.590 where: short stacking energy: -848.453 Base-Backbone interact. energy: -1.947 local terms energy: -886.700819 where: bonds (distance) C4'-P energy: -164.122 bonds (distance) P-C4' energy: -162.151 flat angles C4'-P-C4' energy: -185.239 flat angles P-C4'-P energy: -130.572 tors. eta vs tors. theta energy: -244.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2712.916212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.916212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.916212 (E_RNA) where: Base-Base interactions energy: -1877.968 where: short stacking energy: -819.914 Base-Backbone interact. energy: -5.874 local terms energy: -829.074090 where: bonds (distance) C4'-P energy: -142.791 bonds (distance) P-C4' energy: -143.284 flat angles C4'-P-C4' energy: -175.054 flat angles P-C4'-P energy: -122.766 tors. eta vs tors. theta energy: -245.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2539.185350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.185350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.185350 (E_RNA) where: Base-Base interactions energy: -1755.435 where: short stacking energy: -758.608 Base-Backbone interact. energy: -0.165 local terms energy: -783.585957 where: bonds (distance) C4'-P energy: -145.195 bonds (distance) P-C4' energy: -142.706 flat angles C4'-P-C4' energy: -156.214 flat angles P-C4'-P energy: -114.536 tors. eta vs tors. theta energy: -224.935 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: 6 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -2359.715426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.715426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.715426 (E_RNA) where: Base-Base interactions energy: -1614.968 where: short stacking energy: -676.215 Base-Backbone interact. energy: 0.543 local terms energy: -745.291228 where: bonds (distance) C4'-P energy: -151.381 bonds (distance) P-C4' energy: -132.236 flat angles C4'-P-C4' energy: -171.405 flat angles P-C4'-P energy: -104.331 tors. eta vs tors. theta energy: -185.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -2170.959307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.959307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.959307 (E_RNA) where: Base-Base interactions energy: -1474.306 where: short stacking energy: -638.115 Base-Backbone interact. energy: -3.583 local terms energy: -693.069993 where: bonds (distance) C4'-P energy: -135.691 bonds (distance) P-C4' energy: -140.387 flat angles C4'-P-C4' energy: -170.317 flat angles P-C4'-P energy: -85.678 tors. eta vs tors. theta energy: -160.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1533.265288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.265288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.265288 (E_RNA) where: Base-Base interactions energy: -1014.692 where: short stacking energy: -479.760 Base-Backbone interact. energy: 1.098 local terms energy: -519.671372 where: bonds (distance) C4'-P energy: -107.687 bonds (distance) P-C4' energy: -145.956 flat angles C4'-P-C4' energy: -125.388 flat angles P-C4'-P energy: -61.175 tors. eta vs tors. theta energy: -79.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1078.672500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.672500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.672500 (E_RNA) where: Base-Base interactions energy: -643.773 where: short stacking energy: -305.039 Base-Backbone interact. energy: -2.438 local terms energy: -432.461234 where: bonds (distance) C4'-P energy: -122.688 bonds (distance) P-C4' energy: -113.863 flat angles C4'-P-C4' energy: -110.787 flat angles P-C4'-P energy: -82.745 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3089.132816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.132816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.132816 (E_RNA) where: Base-Base interactions energy: -2132.556 where: short stacking energy: -922.476 Base-Backbone interact. energy: -5.825 local terms energy: -950.752125 where: bonds (distance) C4'-P energy: -177.004 bonds (distance) P-C4' energy: -166.812 flat angles C4'-P-C4' energy: -197.839 flat angles P-C4'-P energy: -129.153 tors. eta vs tors. theta energy: -279.943 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: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2954.732921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.732921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.732921 (E_RNA) where: Base-Base interactions energy: -2060.213 where: short stacking energy: -903.764 Base-Backbone interact. energy: -5.268 local terms energy: -889.252273 where: bonds (distance) C4'-P energy: -155.703 bonds (distance) P-C4' energy: -176.407 flat angles C4'-P-C4' energy: -184.125 flat angles P-C4'-P energy: -113.567 tors. eta vs tors. theta energy: -259.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2894.133064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.133064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.133064 (E_RNA) where: Base-Base interactions energy: -2018.053 where: short stacking energy: -903.589 Base-Backbone interact. energy: -2.226 local terms energy: -873.854628 where: bonds (distance) C4'-P energy: -145.799 bonds (distance) P-C4' energy: -154.072 flat angles C4'-P-C4' energy: -168.960 flat angles P-C4'-P energy: -135.952 tors. eta vs tors. theta energy: -269.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2762.971655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.971655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.971655 (E_RNA) where: Base-Base interactions energy: -1905.360 where: short stacking energy: -846.448 Base-Backbone interact. energy: -4.439 local terms energy: -853.171948 where: bonds (distance) C4'-P energy: -159.191 bonds (distance) P-C4' energy: -159.355 flat angles C4'-P-C4' energy: -181.144 flat angles P-C4'-P energy: -117.611 tors. eta vs tors. theta energy: -235.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2657.231326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.231326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.231326 (E_RNA) where: Base-Base interactions energy: -1854.251 where: short stacking energy: -829.540 Base-Backbone interact. energy: -2.968 local terms energy: -800.012702 where: bonds (distance) C4'-P energy: -146.622 bonds (distance) P-C4' energy: -150.851 flat angles C4'-P-C4' energy: -161.734 flat angles P-C4'-P energy: -107.682 tors. eta vs tors. theta energy: -233.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2548.125914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.125914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.125914 (E_RNA) where: Base-Base interactions energy: -1787.929 where: short stacking energy: -766.885 Base-Backbone interact. energy: -4.440 local terms energy: -755.756626 where: bonds (distance) C4'-P energy: -115.823 bonds (distance) P-C4' energy: -130.842 flat angles C4'-P-C4' energy: -174.450 flat angles P-C4'-P energy: -102.439 tors. eta vs tors. theta energy: -232.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2343.730364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.730364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.730364 (E_RNA) where: Base-Base interactions energy: -1631.730 where: short stacking energy: -696.751 Base-Backbone interact. energy: -0.183 local terms energy: -711.816860 where: bonds (distance) C4'-P energy: -121.139 bonds (distance) P-C4' energy: -149.639 flat angles C4'-P-C4' energy: -156.004 flat angles P-C4'-P energy: -105.400 tors. eta vs tors. theta energy: -179.636 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: 1 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -2179.789080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.789080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.789080 (E_RNA) where: Base-Base interactions energy: -1499.789 where: short stacking energy: -672.381 Base-Backbone interact. energy: -2.206 local terms energy: -677.794342 where: bonds (distance) C4'-P energy: -124.541 bonds (distance) P-C4' energy: -136.148 flat angles C4'-P-C4' energy: -157.941 flat angles P-C4'-P energy: -93.239 tors. eta vs tors. theta energy: -165.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1486.879994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.879994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.879994 (E_RNA) where: Base-Base interactions energy: -939.117 where: short stacking energy: -437.389 Base-Backbone interact. energy: -0.368 local terms energy: -547.394884 where: bonds (distance) C4'-P energy: -115.712 bonds (distance) P-C4' energy: -131.704 flat angles C4'-P-C4' energy: -147.402 flat angles P-C4'-P energy: -75.825 tors. eta vs tors. theta energy: -76.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1092.901931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.901931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.901931 (E_RNA) where: Base-Base interactions energy: -638.259 where: short stacking energy: -299.762 Base-Backbone interact. energy: 9.582 local terms energy: -464.225232 where: bonds (distance) C4'-P energy: -121.676 bonds (distance) P-C4' energy: -138.563 flat angles C4'-P-C4' energy: -119.552 flat angles P-C4'-P energy: -76.376 tors. eta vs tors. theta energy: -8.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3081.705522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.705522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.705522 (E_RNA) where: Base-Base interactions energy: -2159.903 where: short stacking energy: -932.240 Base-Backbone interact. energy: -3.265 local terms energy: -918.537265 where: bonds (distance) C4'-P energy: -162.773 bonds (distance) P-C4' energy: -159.520 flat angles C4'-P-C4' energy: -185.112 flat angles P-C4'-P energy: -137.459 tors. eta vs tors. theta energy: -273.673 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: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2945.931451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.931451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.931451 (E_RNA) where: Base-Base interactions energy: -2048.714 where: short stacking energy: -881.918 Base-Backbone interact. energy: -1.932 local terms energy: -895.285173 where: bonds (distance) C4'-P energy: -146.010 bonds (distance) P-C4' energy: -166.869 flat angles C4'-P-C4' energy: -193.507 flat angles P-C4'-P energy: -127.339 tors. eta vs tors. theta energy: -261.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2913.200307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.200307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.200307 (E_RNA) where: Base-Base interactions energy: -2020.469 where: short stacking energy: -901.425 Base-Backbone interact. energy: -1.283 local terms energy: -891.447779 where: bonds (distance) C4'-P energy: -149.106 bonds (distance) P-C4' energy: -153.676 flat angles C4'-P-C4' energy: -192.663 flat angles P-C4'-P energy: -132.563 tors. eta vs tors. theta energy: -263.440 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: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2737.545880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.545880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.545880 (E_RNA) where: Base-Base interactions energy: -1901.289 where: short stacking energy: -829.806 Base-Backbone interact. energy: -1.891 local terms energy: -834.365952 where: bonds (distance) C4'-P energy: -129.535 bonds (distance) P-C4' energy: -152.519 flat angles C4'-P-C4' energy: -175.596 flat angles P-C4'-P energy: -115.228 tors. eta vs tors. theta energy: -261.488 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: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2660.797511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.797511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.797511 (E_RNA) where: Base-Base interactions energy: -1839.595 where: short stacking energy: -804.097 Base-Backbone interact. energy: 0.417 local terms energy: -821.619629 where: bonds (distance) C4'-P energy: -145.465 bonds (distance) P-C4' energy: -143.899 flat angles C4'-P-C4' energy: -178.560 flat angles P-C4'-P energy: -125.127 tors. eta vs tors. theta energy: -228.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2615.931093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.931093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.931093 (E_RNA) where: Base-Base interactions energy: -1801.489 where: short stacking energy: -806.805 Base-Backbone interact. energy: -4.488 local terms energy: -809.953613 where: bonds (distance) C4'-P energy: -145.523 bonds (distance) P-C4' energy: -132.858 flat angles C4'-P-C4' energy: -165.745 flat angles P-C4'-P energy: -126.248 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: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2306.309924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.309924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.309924 (E_RNA) where: Base-Base interactions energy: -1589.398 where: short stacking energy: -671.593 Base-Backbone interact. energy: -1.756 local terms energy: -715.155908 where: bonds (distance) C4'-P energy: -130.948 bonds (distance) P-C4' energy: -153.308 flat angles C4'-P-C4' energy: -169.740 flat angles P-C4'-P energy: -93.744 tors. eta vs tors. theta energy: -167.416 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: 1 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -2159.981308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.981308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.981308 (E_RNA) where: Base-Base interactions energy: -1497.650 where: short stacking energy: -644.824 Base-Backbone interact. energy: -4.865 local terms energy: -657.465658 where: bonds (distance) C4'-P energy: -123.429 bonds (distance) P-C4' energy: -142.062 flat angles C4'-P-C4' energy: -149.088 flat angles P-C4'-P energy: -85.607 tors. eta vs tors. theta energy: -157.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1538.572238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.572238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.572238 (E_RNA) where: Base-Base interactions energy: -998.437 where: short stacking energy: -433.678 Base-Backbone interact. energy: -0.455 local terms energy: -539.679924 where: bonds (distance) C4'-P energy: -126.808 bonds (distance) P-C4' energy: -133.698 flat angles C4'-P-C4' energy: -126.763 flat angles P-C4'-P energy: -87.112 tors. eta vs tors. theta energy: -65.298 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: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1118.360985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.360985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.360985 (E_RNA) where: Base-Base interactions energy: -650.953 where: short stacking energy: -322.316 Base-Backbone interact. energy: 1.369 local terms energy: -468.777141 where: bonds (distance) C4'-P energy: -116.457 bonds (distance) P-C4' energy: -125.086 flat angles C4'-P-C4' energy: -130.938 flat angles P-C4'-P energy: -69.035 tors. eta vs tors. theta energy: -27.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3086.360268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.360268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.360268 (E_RNA) where: Base-Base interactions energy: -2140.543 where: short stacking energy: -923.210 Base-Backbone interact. energy: -3.525 local terms energy: -942.292531 where: bonds (distance) C4'-P energy: -171.528 bonds (distance) P-C4' energy: -178.924 flat angles C4'-P-C4' energy: -184.809 flat angles P-C4'-P energy: -134.049 tors. eta vs tors. theta energy: -272.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2996.530232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.530232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.530232 (E_RNA) where: Base-Base interactions energy: -2086.004 where: short stacking energy: -909.894 Base-Backbone interact. energy: 7.434 local terms energy: -917.960521 where: bonds (distance) C4'-P energy: -148.814 bonds (distance) P-C4' energy: -161.905 flat angles C4'-P-C4' energy: -193.670 flat angles P-C4'-P energy: -138.759 tors. eta vs tors. theta energy: -274.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2876.638659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.638659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.638659 (E_RNA) where: Base-Base interactions energy: -1987.570 where: short stacking energy: -899.895 Base-Backbone interact. energy: -5.871 local terms energy: -883.198232 where: bonds (distance) C4'-P energy: -153.648 bonds (distance) P-C4' energy: -157.972 flat angles C4'-P-C4' energy: -181.017 flat angles P-C4'-P energy: -129.113 tors. eta vs tors. theta energy: -261.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2795.728129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.728129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.728129 (E_RNA) where: Base-Base interactions energy: -1962.914 where: short stacking energy: -832.179 Base-Backbone interact. energy: -0.697 local terms energy: -832.117014 where: bonds (distance) C4'-P energy: -149.170 bonds (distance) P-C4' energy: -145.119 flat angles C4'-P-C4' energy: -173.852 flat angles P-C4'-P energy: -120.224 tors. eta vs tors. theta energy: -243.752 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: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2684.419373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.419373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.419373 (E_RNA) where: Base-Base interactions energy: -1872.656 where: short stacking energy: -849.338 Base-Backbone interact. energy: -1.087 local terms energy: -810.676841 where: bonds (distance) C4'-P energy: -141.439 bonds (distance) P-C4' energy: -142.046 flat angles C4'-P-C4' energy: -172.934 flat angles P-C4'-P energy: -102.573 tors. eta vs tors. theta energy: -251.685 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: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2572.721704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.721704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.721704 (E_RNA) where: Base-Base interactions energy: -1802.946 where: short stacking energy: -770.827 Base-Backbone interact. energy: -1.481 local terms energy: -768.295019 where: bonds (distance) C4'-P energy: -140.944 bonds (distance) P-C4' energy: -145.128 flat angles C4'-P-C4' energy: -154.617 flat angles P-C4'-P energy: -98.829 tors. eta vs tors. theta energy: -228.778 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: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -2382.850187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.850187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.850187 (E_RNA) where: Base-Base interactions energy: -1665.090 where: short stacking energy: -731.781 Base-Backbone interact. energy: -3.166 local terms energy: -714.594123 where: bonds (distance) C4'-P energy: -130.010 bonds (distance) P-C4' energy: -109.961 flat angles C4'-P-C4' energy: -163.320 flat angles P-C4'-P energy: -117.539 tors. eta vs tors. theta energy: -193.764 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: 8, replica: 1 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -2175.480773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.480773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.480773 (E_RNA) where: Base-Base interactions energy: -1528.247 where: short stacking energy: -689.124 Base-Backbone interact. energy: -1.615 local terms energy: -645.618676 where: bonds (distance) C4'-P energy: -116.159 bonds (distance) P-C4' energy: -146.426 flat angles C4'-P-C4' energy: -151.043 flat angles P-C4'-P energy: -67.253 tors. eta vs tors. theta energy: -164.738 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: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1520.877846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.877846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.877846 (E_RNA) where: Base-Base interactions energy: -979.826 where: short stacking energy: -460.887 Base-Backbone interact. energy: 1.974 local terms energy: -543.026016 where: bonds (distance) C4'-P energy: -126.398 bonds (distance) P-C4' energy: -139.668 flat angles C4'-P-C4' energy: -118.050 flat angles P-C4'-P energy: -83.553 tors. eta vs tors. theta energy: -75.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1057.916233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.916233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.916233 (E_RNA) where: Base-Base interactions energy: -586.329 where: short stacking energy: -308.793 Base-Backbone interact. energy: 2.176 local terms energy: -473.763174 where: bonds (distance) C4'-P energy: -118.203 bonds (distance) P-C4' energy: -150.903 flat angles C4'-P-C4' energy: -117.230 flat angles P-C4'-P energy: -55.516 tors. eta vs tors. theta energy: -31.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3085.616396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.616396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.616396 (E_RNA) where: Base-Base interactions energy: -2135.350 where: short stacking energy: -910.177 Base-Backbone interact. energy: -3.247 local terms energy: -947.019651 where: bonds (distance) C4'-P energy: -165.019 bonds (distance) P-C4' energy: -179.336 flat angles C4'-P-C4' energy: -192.339 flat angles P-C4'-P energy: -135.034 tors. eta vs tors. theta energy: -275.291 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: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2979.344383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.344383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.344383 (E_RNA) where: Base-Base interactions energy: -2072.006 where: short stacking energy: -865.791 Base-Backbone interact. energy: -6.145 local terms energy: -901.193274 where: bonds (distance) C4'-P energy: -160.366 bonds (distance) P-C4' energy: -163.641 flat angles C4'-P-C4' energy: -185.635 flat angles P-C4'-P energy: -135.040 tors. eta vs tors. theta energy: -256.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2891.062714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.062714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.062714 (E_RNA) where: Base-Base interactions energy: -1981.061 where: short stacking energy: -889.241 Base-Backbone interact. energy: -1.764 local terms energy: -908.237782 where: bonds (distance) C4'-P energy: -156.932 bonds (distance) P-C4' energy: -159.218 flat angles C4'-P-C4' energy: -199.582 flat angles P-C4'-P energy: -124.164 tors. eta vs tors. theta energy: -268.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2748.131579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.131579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.131579 (E_RNA) where: Base-Base interactions energy: -1925.363 where: short stacking energy: -859.300 Base-Backbone interact. energy: -4.570 local terms energy: -818.199461 where: bonds (distance) C4'-P energy: -121.316 bonds (distance) P-C4' energy: -145.909 flat angles C4'-P-C4' energy: -178.051 flat angles P-C4'-P energy: -122.190 tors. eta vs tors. theta energy: -250.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2675.837588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.837588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.837588 (E_RNA) where: Base-Base interactions energy: -1893.356 where: short stacking energy: -861.996 Base-Backbone interact. energy: -2.000 local terms energy: -780.480941 where: bonds (distance) C4'-P energy: -147.557 bonds (distance) P-C4' energy: -116.845 flat angles C4'-P-C4' energy: -170.466 flat angles P-C4'-P energy: -107.301 tors. eta vs tors. theta energy: -238.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2582.654944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.654944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.654944 (E_RNA) where: Base-Base interactions energy: -1794.847 where: short stacking energy: -807.457 Base-Backbone interact. energy: -3.699 local terms energy: -784.108416 where: bonds (distance) C4'-P energy: -132.743 bonds (distance) P-C4' energy: -134.108 flat angles C4'-P-C4' energy: -176.010 flat angles P-C4'-P energy: -106.895 tors. eta vs tors. theta energy: -234.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2320.329895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.329895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.329895 (E_RNA) where: Base-Base interactions energy: -1610.000 where: short stacking energy: -715.465 Base-Backbone interact. energy: 0.805 local terms energy: -711.135449 where: bonds (distance) C4'-P energy: -154.946 bonds (distance) P-C4' energy: -128.135 flat angles C4'-P-C4' energy: -139.222 flat angles P-C4'-P energy: -97.483 tors. eta vs tors. theta energy: -191.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -2236.188410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.188410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.188410 (E_RNA) where: Base-Base interactions energy: -1538.350 where: short stacking energy: -690.804 Base-Backbone interact. energy: -2.882 local terms energy: -694.955832 where: bonds (distance) C4'-P energy: -124.917 bonds (distance) P-C4' energy: -148.903 flat angles C4'-P-C4' energy: -155.255 flat angles P-C4'-P energy: -95.537 tors. eta vs tors. theta energy: -170.344 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: 9, replica: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1426.494655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.494655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.494655 (E_RNA) where: Base-Base interactions energy: -912.418 where: short stacking energy: -418.785 Base-Backbone interact. energy: -3.341 local terms energy: -510.734708 where: bonds (distance) C4'-P energy: -120.510 bonds (distance) P-C4' energy: -130.479 flat angles C4'-P-C4' energy: -126.117 flat angles P-C4'-P energy: -86.327 tors. eta vs tors. theta energy: -47.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -990.603798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.603798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.603798 (E_RNA) where: Base-Base interactions energy: -540.888 where: short stacking energy: -299.780 Base-Backbone interact. energy: 2.262 local terms energy: -451.978412 where: bonds (distance) C4'-P energy: -111.491 bonds (distance) P-C4' energy: -140.262 flat angles C4'-P-C4' energy: -129.153 flat angles P-C4'-P energy: -44.304 tors. eta vs tors. theta energy: -26.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -3139.018440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.018440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.018440 (E_RNA) where: Base-Base interactions energy: -2173.461 where: short stacking energy: -931.108 Base-Backbone interact. energy: -4.427 local terms energy: -961.130853 where: bonds (distance) C4'-P energy: -155.200 bonds (distance) P-C4' energy: -174.125 flat angles C4'-P-C4' energy: -203.017 flat angles P-C4'-P energy: -143.055 tors. eta vs tors. theta energy: -285.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2973.483063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.483063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.483063 (E_RNA) where: Base-Base interactions energy: -2094.512 where: short stacking energy: -876.610 Base-Backbone interact. energy: -3.691 local terms energy: -875.280166 where: bonds (distance) C4'-P energy: -156.129 bonds (distance) P-C4' energy: -163.476 flat angles C4'-P-C4' energy: -168.150 flat angles P-C4'-P energy: -126.561 tors. eta vs tors. theta energy: -260.964 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: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2889.403222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.403222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.403222 (E_RNA) where: Base-Base interactions energy: -1988.685 where: short stacking energy: -890.393 Base-Backbone interact. energy: -5.268 local terms energy: -895.449856 where: bonds (distance) C4'-P energy: -172.830 bonds (distance) P-C4' energy: -146.138 flat angles C4'-P-C4' energy: -189.524 flat angles P-C4'-P energy: -125.866 tors. eta vs tors. theta energy: -261.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2790.189407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.189407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.189407 (E_RNA) where: Base-Base interactions energy: -1936.387 where: short stacking energy: -857.480 Base-Backbone interact. energy: -3.519 local terms energy: -850.283489 where: bonds (distance) C4'-P energy: -144.562 bonds (distance) P-C4' energy: -138.135 flat angles C4'-P-C4' energy: -176.164 flat angles P-C4'-P energy: -129.099 tors. eta vs tors. theta energy: -262.323 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: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2634.471321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.471321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.471321 (E_RNA) where: Base-Base interactions energy: -1802.475 where: short stacking energy: -789.329 Base-Backbone interact. energy: -1.030 local terms energy: -830.965972 where: bonds (distance) C4'-P energy: -146.448 bonds (distance) P-C4' energy: -153.424 flat angles C4'-P-C4' energy: -175.114 flat angles P-C4'-P energy: -112.962 tors. eta vs tors. theta energy: -243.018 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: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2559.800070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.800070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.800070 (E_RNA) where: Base-Base interactions energy: -1783.312 where: short stacking energy: -753.861 Base-Backbone interact. energy: 0.303 local terms energy: -776.791102 where: bonds (distance) C4'-P energy: -133.488 bonds (distance) P-C4' energy: -138.451 flat angles C4'-P-C4' energy: -176.551 flat angles P-C4'-P energy: -100.313 tors. eta vs tors. theta energy: -227.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2277.127977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.127977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.127977 (E_RNA) where: Base-Base interactions energy: -1589.645 where: short stacking energy: -678.939 Base-Backbone interact. energy: 1.865 local terms energy: -689.348360 where: bonds (distance) C4'-P energy: -132.212 bonds (distance) P-C4' energy: -123.437 flat angles C4'-P-C4' energy: -162.933 flat angles P-C4'-P energy: -107.913 tors. eta vs tors. theta energy: -162.853 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: 176 Temperature: 1.250000 Total energy: -2232.660371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.660371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.660371 (E_RNA) where: Base-Base interactions energy: -1539.261 where: short stacking energy: -663.511 Base-Backbone interact. energy: 2.363 local terms energy: -695.762453 where: bonds (distance) C4'-P energy: -129.255 bonds (distance) P-C4' energy: -137.594 flat angles C4'-P-C4' energy: -150.426 flat angles P-C4'-P energy: -101.389 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: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1454.491560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.491560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.491560 (E_RNA) where: Base-Base interactions energy: -908.824 where: short stacking energy: -437.210 Base-Backbone interact. energy: 0.631 local terms energy: -546.298978 where: bonds (distance) C4'-P energy: -118.556 bonds (distance) P-C4' energy: -135.592 flat angles C4'-P-C4' energy: -143.462 flat angles P-C4'-P energy: -90.799 tors. eta vs tors. theta energy: -57.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -977.433959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.433959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.433959 (E_RNA) where: Base-Base interactions energy: -496.829 where: short stacking energy: -246.939 Base-Backbone interact. energy: -0.719 local terms energy: -479.885886 where: bonds (distance) C4'-P energy: -121.269 bonds (distance) P-C4' energy: -159.067 flat angles C4'-P-C4' energy: -110.580 flat angles P-C4'-P energy: -80.421 tors. eta vs tors. theta energy: -8.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -3116.459851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.459851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.459851 (E_RNA) where: Base-Base interactions energy: -2191.538 where: short stacking energy: -934.059 Base-Backbone interact. energy: -7.757 local terms energy: -917.164756 where: bonds (distance) C4'-P energy: -160.844 bonds (distance) P-C4' energy: -168.275 flat angles C4'-P-C4' energy: -187.468 flat angles P-C4'-P energy: -125.114 tors. eta vs tors. theta energy: -275.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2956.961027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.961027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.961027 (E_RNA) where: Base-Base interactions energy: -2069.386 where: short stacking energy: -924.489 Base-Backbone interact. energy: -4.097 local terms energy: -883.477516 where: bonds (distance) C4'-P energy: -150.794 bonds (distance) P-C4' energy: -170.080 flat angles C4'-P-C4' energy: -184.619 flat angles P-C4'-P energy: -103.651 tors. eta vs tors. theta energy: -274.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2854.431758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.431758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.431758 (E_RNA) where: Base-Base interactions energy: -1966.810 where: short stacking energy: -866.746 Base-Backbone interact. energy: -3.713 local terms energy: -883.908817 where: bonds (distance) C4'-P energy: -152.663 bonds (distance) P-C4' energy: -165.530 flat angles C4'-P-C4' energy: -183.885 flat angles P-C4'-P energy: -127.451 tors. eta vs tors. theta energy: -254.380 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: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2781.861410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.861410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.861410 (E_RNA) where: Base-Base interactions energy: -1952.378 where: short stacking energy: -903.074 Base-Backbone interact. energy: -2.904 local terms energy: -826.579763 where: bonds (distance) C4'-P energy: -137.712 bonds (distance) P-C4' energy: -133.145 flat angles C4'-P-C4' energy: -179.311 flat angles P-C4'-P energy: -124.395 tors. eta vs tors. theta energy: -252.016 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: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2688.439726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.439726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.439726 (E_RNA) where: Base-Base interactions energy: -1877.399 where: short stacking energy: -808.987 Base-Backbone interact. energy: -4.324 local terms energy: -806.716245 where: bonds (distance) C4'-P energy: -149.954 bonds (distance) P-C4' energy: -149.731 flat angles C4'-P-C4' energy: -182.046 flat angles P-C4'-P energy: -114.550 tors. eta vs tors. theta energy: -210.435 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: 177 Temperature: 1.150000 Total energy: -2576.007224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.007224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.007224 (E_RNA) where: Base-Base interactions energy: -1783.994 where: short stacking energy: -800.923 Base-Backbone interact. energy: -0.754 local terms energy: -791.259025 where: bonds (distance) C4'-P energy: -132.338 bonds (distance) P-C4' energy: -148.487 flat angles C4'-P-C4' energy: -183.977 flat angles P-C4'-P energy: -96.898 tors. eta vs tors. theta energy: -229.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -2305.352418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.352418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.352418 (E_RNA) where: Base-Base interactions energy: -1568.939 where: short stacking energy: -663.826 Base-Backbone interact. energy: -3.855 local terms energy: -732.558745 where: bonds (distance) C4'-P energy: -140.741 bonds (distance) P-C4' energy: -159.597 flat angles C4'-P-C4' energy: -147.998 flat angles P-C4'-P energy: -107.497 tors. eta vs tors. theta energy: -176.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -2185.343868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.343868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.343868 (E_RNA) where: Base-Base interactions energy: -1478.263 where: short stacking energy: -648.189 Base-Backbone interact. energy: -0.358 local terms energy: -706.722705 where: bonds (distance) C4'-P energy: -115.520 bonds (distance) P-C4' energy: -148.599 flat angles C4'-P-C4' energy: -164.385 flat angles P-C4'-P energy: -105.285 tors. eta vs tors. theta energy: -172.933 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: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1507.797625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.797625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.797625 (E_RNA) where: Base-Base interactions energy: -936.944 where: short stacking energy: -455.288 Base-Backbone interact. energy: -0.391 local terms energy: -570.462316 where: bonds (distance) C4'-P energy: -120.265 bonds (distance) P-C4' energy: -138.986 flat angles C4'-P-C4' energy: -159.076 flat angles P-C4'-P energy: -61.290 tors. eta vs tors. theta energy: -90.845 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: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1004.366136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.366136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.366136 (E_RNA) where: Base-Base interactions energy: -541.317 where: short stacking energy: -289.927 Base-Backbone interact. energy: 1.294 local terms energy: -464.343482 where: bonds (distance) C4'-P energy: -147.289 bonds (distance) P-C4' energy: -126.844 flat angles C4'-P-C4' energy: -135.831 flat angles P-C4'-P energy: -54.019 tors. eta vs tors. theta energy: -0.361 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: 3 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3086.253629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.253629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.253629 (E_RNA) where: Base-Base interactions energy: -2161.854 where: short stacking energy: -940.073 Base-Backbone interact. energy: -7.081 local terms energy: -917.319122 where: bonds (distance) C4'-P energy: -170.190 bonds (distance) P-C4' energy: -163.999 flat angles C4'-P-C4' energy: -190.243 flat angles P-C4'-P energy: -117.280 tors. eta vs tors. theta energy: -275.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2960.120470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.120470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.120470 (E_RNA) where: Base-Base interactions energy: -2045.107 where: short stacking energy: -887.880 Base-Backbone interact. energy: -3.809 local terms energy: -911.204402 where: bonds (distance) C4'-P energy: -151.239 bonds (distance) P-C4' energy: -166.482 flat angles C4'-P-C4' energy: -189.654 flat angles P-C4'-P energy: -150.064 tors. eta vs tors. theta energy: -253.766 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: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2846.540736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.540736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.540736 (E_RNA) where: Base-Base interactions energy: -1946.750 where: short stacking energy: -885.284 Base-Backbone interact. energy: -2.591 local terms energy: -897.199116 where: bonds (distance) C4'-P energy: -163.855 bonds (distance) P-C4' energy: -165.581 flat angles C4'-P-C4' energy: -188.923 flat angles P-C4'-P energy: -117.338 tors. eta vs tors. theta energy: -261.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2801.041911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.041911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.041911 (E_RNA) where: Base-Base interactions energy: -1920.211 where: short stacking energy: -846.854 Base-Backbone interact. energy: -0.020 local terms energy: -880.810857 where: bonds (distance) C4'-P energy: -158.482 bonds (distance) P-C4' energy: -173.020 flat angles C4'-P-C4' energy: -195.652 flat angles P-C4'-P energy: -110.479 tors. eta vs tors. theta energy: -243.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2641.310077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.310077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.310077 (E_RNA) where: Base-Base interactions energy: -1823.192 where: short stacking energy: -780.145 Base-Backbone interact. energy: 2.217 local terms energy: -820.335572 where: bonds (distance) C4'-P energy: -152.901 bonds (distance) P-C4' energy: -153.494 flat angles C4'-P-C4' energy: -168.372 flat angles P-C4'-P energy: -109.765 tors. eta vs tors. theta energy: -235.803 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: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2527.697229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.697229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.697229 (E_RNA) where: Base-Base interactions energy: -1744.012 where: short stacking energy: -794.319 Base-Backbone interact. energy: -2.013 local terms energy: -781.672198 where: bonds (distance) C4'-P energy: -146.521 bonds (distance) P-C4' energy: -138.684 flat angles C4'-P-C4' energy: -173.994 flat angles P-C4'-P energy: -99.792 tors. eta vs tors. theta energy: -222.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2291.787623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.787623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.787623 (E_RNA) where: Base-Base interactions energy: -1595.976 where: short stacking energy: -702.248 Base-Backbone interact. energy: 1.429 local terms energy: -697.240812 where: bonds (distance) C4'-P energy: -132.495 bonds (distance) P-C4' energy: -132.700 flat angles C4'-P-C4' energy: -161.112 flat angles P-C4'-P energy: -88.965 tors. eta vs tors. theta energy: -181.969 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: 1 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -2139.056212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.056212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.056212 (E_RNA) where: Base-Base interactions energy: -1428.592 where: short stacking energy: -626.881 Base-Backbone interact. energy: -0.058 local terms energy: -710.406068 where: bonds (distance) C4'-P energy: -120.807 bonds (distance) P-C4' energy: -163.038 flat angles C4'-P-C4' energy: -160.421 flat angles P-C4'-P energy: -103.435 tors. eta vs tors. theta energy: -162.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1462.227621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.227621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.227621 (E_RNA) where: Base-Base interactions energy: -875.354 where: short stacking energy: -408.164 Base-Backbone interact. energy: -3.170 local terms energy: -583.703117 where: bonds (distance) C4'-P energy: -122.967 bonds (distance) P-C4' energy: -161.665 flat angles C4'-P-C4' energy: -148.495 flat angles P-C4'-P energy: -85.057 tors. eta vs tors. theta energy: -65.519 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: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -931.818879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.818879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.818879 (E_RNA) where: Base-Base interactions energy: -450.964 where: short stacking energy: -258.178 Base-Backbone interact. energy: -0.566 local terms energy: -480.289553 where: bonds (distance) C4'-P energy: -136.033 bonds (distance) P-C4' energy: -146.614 flat angles C4'-P-C4' energy: -123.500 flat angles P-C4'-P energy: -80.450 tors. eta vs tors. theta energy: 6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3116.900368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.900368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.900368 (E_RNA) where: Base-Base interactions energy: -2186.102 where: short stacking energy: -926.329 Base-Backbone interact. energy: -3.649 local terms energy: -927.148821 where: bonds (distance) C4'-P energy: -164.941 bonds (distance) P-C4' energy: -167.756 flat angles C4'-P-C4' energy: -185.890 flat angles P-C4'-P energy: -136.078 tors. eta vs tors. theta energy: -272.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2958.969208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.969208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.969208 (E_RNA) where: Base-Base interactions energy: -2050.897 where: short stacking energy: -898.974 Base-Backbone interact. energy: -3.295 local terms energy: -904.777569 where: bonds (distance) C4'-P energy: -163.184 bonds (distance) P-C4' energy: -153.695 flat angles C4'-P-C4' energy: -191.947 flat angles P-C4'-P energy: -136.082 tors. eta vs tors. theta energy: -259.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2878.508767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.508767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.508767 (E_RNA) where: Base-Base interactions energy: -1988.349 where: short stacking energy: -891.221 Base-Backbone interact. energy: 1.148 local terms energy: -891.307217 where: bonds (distance) C4'-P energy: -153.552 bonds (distance) P-C4' energy: -169.170 flat angles C4'-P-C4' energy: -172.958 flat angles P-C4'-P energy: -121.983 tors. eta vs tors. theta energy: -273.645 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: 179 Temperature: 1.050000 Total energy: -2790.191290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.191290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.191290 (E_RNA) where: Base-Base interactions energy: -1933.024 where: short stacking energy: -868.186 Base-Backbone interact. energy: -1.909 local terms energy: -855.258614 where: bonds (distance) C4'-P energy: -145.540 bonds (distance) P-C4' energy: -153.176 flat angles C4'-P-C4' energy: -195.151 flat angles P-C4'-P energy: -111.377 tors. eta vs tors. theta energy: -250.015 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: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2650.019521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.019521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.019521 (E_RNA) where: Base-Base interactions energy: -1853.613 where: short stacking energy: -816.159 Base-Backbone interact. energy: -1.774 local terms energy: -794.632038 where: bonds (distance) C4'-P energy: -151.757 bonds (distance) P-C4' energy: -138.680 flat angles C4'-P-C4' energy: -177.345 flat angles P-C4'-P energy: -91.824 tors. eta vs tors. theta energy: -235.026 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: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2566.467384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.467384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.467384 (E_RNA) where: Base-Base interactions energy: -1769.575 where: short stacking energy: -803.817 Base-Backbone interact. energy: -4.124 local terms energy: -792.768532 where: bonds (distance) C4'-P energy: -150.726 bonds (distance) P-C4' energy: -141.250 flat angles C4'-P-C4' energy: -176.214 flat angles P-C4'-P energy: -107.478 tors. eta vs tors. theta energy: -217.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -2281.771239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.771239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.771239 (E_RNA) where: Base-Base interactions energy: -1567.705 where: short stacking energy: -681.607 Base-Backbone interact. energy: -3.464 local terms energy: -710.602451 where: bonds (distance) C4'-P energy: -136.482 bonds (distance) P-C4' energy: -156.103 flat angles C4'-P-C4' energy: -154.783 flat angles P-C4'-P energy: -91.047 tors. eta vs tors. theta energy: -172.187 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: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -2155.025706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.025706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.025706 (E_RNA) where: Base-Base interactions energy: -1466.398 where: short stacking energy: -654.587 Base-Backbone interact. energy: -1.837 local terms energy: -686.791027 where: bonds (distance) C4'-P energy: -115.545 bonds (distance) P-C4' energy: -156.893 flat angles C4'-P-C4' energy: -150.666 flat angles P-C4'-P energy: -97.924 tors. eta vs tors. theta energy: -165.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1469.664944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.664944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.664944 (E_RNA) where: Base-Base interactions energy: -914.387 where: short stacking energy: -471.226 Base-Backbone interact. energy: 2.811 local terms energy: -558.088985 where: bonds (distance) C4'-P energy: -114.966 bonds (distance) P-C4' energy: -133.921 flat angles C4'-P-C4' energy: -138.922 flat angles P-C4'-P energy: -94.499 tors. eta vs tors. theta energy: -75.781 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: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -908.174047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.174047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.174047 (E_RNA) where: Base-Base interactions energy: -479.842 where: short stacking energy: -291.487 Base-Backbone interact. energy: 1.545 local terms energy: -429.877090 where: bonds (distance) C4'-P energy: -138.041 bonds (distance) P-C4' energy: -91.049 flat angles C4'-P-C4' energy: -111.800 flat angles P-C4'-P energy: -85.575 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3092.575213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.575213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.575213 (E_RNA) where: Base-Base interactions energy: -2152.196 where: short stacking energy: -913.233 Base-Backbone interact. energy: -5.037 local terms energy: -935.341894 where: bonds (distance) C4'-P energy: -158.912 bonds (distance) P-C4' energy: -159.943 flat angles C4'-P-C4' energy: -208.268 flat angles P-C4'-P energy: -136.793 tors. eta vs tors. theta energy: -271.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2951.983516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.983516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.983516 (E_RNA) where: Base-Base interactions energy: -2042.238 where: short stacking energy: -881.919 Base-Backbone interact. energy: -5.682 local terms energy: -904.063142 where: bonds (distance) C4'-P energy: -158.226 bonds (distance) P-C4' energy: -173.056 flat angles C4'-P-C4' energy: -171.166 flat angles P-C4'-P energy: -130.662 tors. eta vs tors. theta energy: -270.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2881.449002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.449002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.449002 (E_RNA) where: Base-Base interactions energy: -1987.631 where: short stacking energy: -862.369 Base-Backbone interact. energy: -2.954 local terms energy: -890.863409 where: bonds (distance) C4'-P energy: -156.084 bonds (distance) P-C4' energy: -164.922 flat angles C4'-P-C4' energy: -194.904 flat angles P-C4'-P energy: -111.347 tors. eta vs tors. theta energy: -263.606 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: 4, replica: 7 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2762.712553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.712553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.712553 (E_RNA) where: Base-Base interactions energy: -1921.282 where: short stacking energy: -858.833 Base-Backbone interact. energy: -1.746 local terms energy: -839.684363 where: bonds (distance) C4'-P energy: -138.794 bonds (distance) P-C4' energy: -141.727 flat angles C4'-P-C4' energy: -178.953 flat angles P-C4'-P energy: -110.989 tors. eta vs tors. theta energy: -269.221 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: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2669.990437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.990437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.990437 (E_RNA) where: Base-Base interactions energy: -1872.777 where: short stacking energy: -815.236 Base-Backbone interact. energy: -3.997 local terms energy: -793.216995 where: bonds (distance) C4'-P energy: -143.586 bonds (distance) P-C4' energy: -132.819 flat angles C4'-P-C4' energy: -168.770 flat angles P-C4'-P energy: -109.674 tors. eta vs tors. theta energy: -238.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2585.441810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.441810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.441810 (E_RNA) where: Base-Base interactions energy: -1807.700 where: short stacking energy: -799.302 Base-Backbone interact. energy: -2.300 local terms energy: -775.441941 where: bonds (distance) C4'-P energy: -140.429 bonds (distance) P-C4' energy: -140.622 flat angles C4'-P-C4' energy: -156.497 flat angles P-C4'-P energy: -107.311 tors. eta vs tors. theta energy: -230.582 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: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2330.837473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.837473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.837473 (E_RNA) where: Base-Base interactions energy: -1610.063 where: short stacking energy: -738.337 Base-Backbone interact. energy: 4.280 local terms energy: -725.054740 where: bonds (distance) C4'-P energy: -139.080 bonds (distance) P-C4' energy: -145.732 flat angles C4'-P-C4' energy: -151.750 flat angles P-C4'-P energy: -97.870 tors. eta vs tors. theta energy: -190.623 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: 1 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -2160.776191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.776191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.776191 (E_RNA) where: Base-Base interactions energy: -1469.799 where: short stacking energy: -625.965 Base-Backbone interact. energy: 2.068 local terms energy: -693.045914 where: bonds (distance) C4'-P energy: -141.761 bonds (distance) P-C4' energy: -130.406 flat angles C4'-P-C4' energy: -149.754 flat angles P-C4'-P energy: -112.268 tors. eta vs tors. theta energy: -158.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1356.593132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.593132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.593132 (E_RNA) where: Base-Base interactions energy: -838.414 where: short stacking energy: -433.269 Base-Backbone interact. energy: -0.940 local terms energy: -517.239438 where: bonds (distance) C4'-P energy: -148.278 bonds (distance) P-C4' energy: -124.605 flat angles C4'-P-C4' energy: -131.280 flat angles P-C4'-P energy: -67.563 tors. eta vs tors. theta energy: -45.512 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: 10, replica: 10 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -905.023545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.023545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.023545 (E_RNA) where: Base-Base interactions energy: -424.455 where: short stacking energy: -266.427 Base-Backbone interact. energy: 2.324 local terms energy: -482.891861 where: bonds (distance) C4'-P energy: -143.617 bonds (distance) P-C4' energy: -129.892 flat angles C4'-P-C4' energy: -110.414 flat angles P-C4'-P energy: -79.820 tors. eta vs tors. theta energy: -19.149 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: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3104.680185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.680185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.680185 (E_RNA) where: Base-Base interactions energy: -2191.752 where: short stacking energy: -933.766 Base-Backbone interact. energy: -6.097 local terms energy: -906.831589 where: bonds (distance) C4'-P energy: -172.454 bonds (distance) P-C4' energy: -162.339 flat angles C4'-P-C4' energy: -190.218 flat angles P-C4'-P energy: -126.784 tors. eta vs tors. theta energy: -255.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2965.504360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.504360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.504360 (E_RNA) where: Base-Base interactions energy: -2049.672 where: short stacking energy: -884.030 Base-Backbone interact. energy: -5.001 local terms energy: -910.831932 where: bonds (distance) C4'-P energy: -165.948 bonds (distance) P-C4' energy: -170.847 flat angles C4'-P-C4' energy: -180.987 flat angles P-C4'-P energy: -123.078 tors. eta vs tors. theta energy: -269.971 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: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2896.285054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.285054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.285054 (E_RNA) where: Base-Base interactions energy: -2010.404 where: short stacking energy: -909.125 Base-Backbone interact. energy: 1.864 local terms energy: -887.744815 where: bonds (distance) C4'-P energy: -141.344 bonds (distance) P-C4' energy: -170.847 flat angles C4'-P-C4' energy: -182.110 flat angles P-C4'-P energy: -120.515 tors. eta vs tors. theta energy: -272.928 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: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2749.517856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.517856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.517856 (E_RNA) where: Base-Base interactions energy: -1912.850 where: short stacking energy: -885.449 Base-Backbone interact. energy: -3.056 local terms energy: -833.611845 where: bonds (distance) C4'-P energy: -146.641 bonds (distance) P-C4' energy: -141.678 flat angles C4'-P-C4' energy: -180.575 flat angles P-C4'-P energy: -107.163 tors. eta vs tors. theta energy: -257.554 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: 181 Temperature: 1.100000 Total energy: -2718.740491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.740491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.740491 (E_RNA) where: Base-Base interactions energy: -1878.399 where: short stacking energy: -833.234 Base-Backbone interact. energy: -1.298 local terms energy: -839.043128 where: bonds (distance) C4'-P energy: -152.420 bonds (distance) P-C4' energy: -155.519 flat angles C4'-P-C4' energy: -180.410 flat angles P-C4'-P energy: -99.816 tors. eta vs tors. theta energy: -250.878 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: 8 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2554.745409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.745409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.745409 (E_RNA) where: Base-Base interactions energy: -1769.853 where: short stacking energy: -804.422 Base-Backbone interact. energy: -3.259 local terms energy: -781.633116 where: bonds (distance) C4'-P energy: -140.337 bonds (distance) P-C4' energy: -149.878 flat angles C4'-P-C4' energy: -166.903 flat angles P-C4'-P energy: -98.777 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: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -2364.844893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.844893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.844893 (E_RNA) where: Base-Base interactions energy: -1607.496 where: short stacking energy: -702.246 Base-Backbone interact. energy: -2.240 local terms energy: -755.108349 where: bonds (distance) C4'-P energy: -154.057 bonds (distance) P-C4' energy: -157.194 flat angles C4'-P-C4' energy: -157.039 flat angles P-C4'-P energy: -97.243 tors. eta vs tors. theta energy: -189.575 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: 8, replica: 1 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -2097.748143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.748143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.748143 (E_RNA) where: Base-Base interactions energy: -1415.945 where: short stacking energy: -609.231 Base-Backbone interact. energy: -5.581 local terms energy: -676.221860 where: bonds (distance) C4'-P energy: -149.595 bonds (distance) P-C4' energy: -131.185 flat angles C4'-P-C4' energy: -151.027 flat angles P-C4'-P energy: -79.968 tors. eta vs tors. theta energy: -164.447 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: 9 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1417.547906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.547906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.547906 (E_RNA) where: Base-Base interactions energy: -862.020 where: short stacking energy: -414.361 Base-Backbone interact. energy: -0.590 local terms energy: -554.938468 where: bonds (distance) C4'-P energy: -129.831 bonds (distance) P-C4' energy: -146.193 flat angles C4'-P-C4' energy: -141.908 flat angles P-C4'-P energy: -89.436 tors. eta vs tors. theta energy: -47.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -950.285172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.285172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.285172 (E_RNA) where: Base-Base interactions energy: -494.177 where: short stacking energy: -272.213 Base-Backbone interact. energy: 2.100 local terms energy: -458.208497 where: bonds (distance) C4'-P energy: -116.054 bonds (distance) P-C4' energy: -121.746 flat angles C4'-P-C4' energy: -138.323 flat angles P-C4'-P energy: -62.189 tors. eta vs tors. theta energy: -19.896 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: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -3116.611598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.611598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.611598 (E_RNA) where: Base-Base interactions energy: -2156.762 where: short stacking energy: -920.627 Base-Backbone interact. energy: -4.234 local terms energy: -955.615661 where: bonds (distance) C4'-P energy: -176.961 bonds (distance) P-C4' energy: -158.398 flat angles C4'-P-C4' energy: -197.684 flat angles P-C4'-P energy: -143.063 tors. eta vs tors. theta energy: -279.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2970.784248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.784248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.784248 (E_RNA) where: Base-Base interactions energy: -2100.263 where: short stacking energy: -906.094 Base-Backbone interact. energy: -3.479 local terms energy: -867.042918 where: bonds (distance) C4'-P energy: -143.871 bonds (distance) P-C4' energy: -154.008 flat angles C4'-P-C4' energy: -183.129 flat angles P-C4'-P energy: -123.260 tors. eta vs tors. theta energy: -262.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2851.499941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.499941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.499941 (E_RNA) where: Base-Base interactions energy: -1998.908 where: short stacking energy: -880.578 Base-Backbone interact. energy: -2.119 local terms energy: -850.472710 where: bonds (distance) C4'-P energy: -138.633 bonds (distance) P-C4' energy: -151.459 flat angles C4'-P-C4' energy: -188.262 flat angles P-C4'-P energy: -108.517 tors. eta vs tors. theta energy: -263.601 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: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2751.621492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.621492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.621492 (E_RNA) where: Base-Base interactions energy: -1901.990 where: short stacking energy: -857.683 Base-Backbone interact. energy: -4.239 local terms energy: -845.392284 where: bonds (distance) C4'-P energy: -151.301 bonds (distance) P-C4' energy: -149.310 flat angles C4'-P-C4' energy: -186.559 flat angles P-C4'-P energy: -106.705 tors. eta vs tors. theta energy: -251.518 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: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2663.886262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.886262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.886262 (E_RNA) where: Base-Base interactions energy: -1882.144 where: short stacking energy: -802.860 Base-Backbone interact. energy: -1.845 local terms energy: -779.897036 where: bonds (distance) C4'-P energy: -128.176 bonds (distance) P-C4' energy: -134.896 flat angles C4'-P-C4' energy: -173.237 flat angles P-C4'-P energy: -119.312 tors. eta vs tors. theta energy: -224.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2579.329827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.329827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.329827 (E_RNA) where: Base-Base interactions energy: -1777.001 where: short stacking energy: -793.296 Base-Backbone interact. energy: -4.187 local terms energy: -798.141249 where: bonds (distance) C4'-P energy: -146.940 bonds (distance) P-C4' energy: -144.989 flat angles C4'-P-C4' energy: -177.776 flat angles P-C4'-P energy: -99.443 tors. eta vs tors. theta energy: -228.993 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: 182 Temperature: 1.200000 Total energy: -2307.829902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.829902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.829902 (E_RNA) where: Base-Base interactions energy: -1603.245 where: short stacking energy: -703.158 Base-Backbone interact. energy: -1.516 local terms energy: -703.069008 where: bonds (distance) C4'-P energy: -126.319 bonds (distance) P-C4' energy: -126.778 flat angles C4'-P-C4' energy: -166.000 flat angles P-C4'-P energy: -104.535 tors. eta vs tors. theta energy: -179.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -2079.602904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.602904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.602904 (E_RNA) where: Base-Base interactions energy: -1450.380 where: short stacking energy: -637.668 Base-Backbone interact. energy: -1.115 local terms energy: -628.108059 where: bonds (distance) C4'-P energy: -104.611 bonds (distance) P-C4' energy: -99.518 flat angles C4'-P-C4' energy: -152.890 flat angles P-C4'-P energy: -103.064 tors. eta vs tors. theta energy: -168.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1457.373292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.373292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.373292 (E_RNA) where: Base-Base interactions energy: -922.480 where: short stacking energy: -427.577 Base-Backbone interact. energy: 2.099 local terms energy: -536.992668 where: bonds (distance) C4'-P energy: -109.765 bonds (distance) P-C4' energy: -148.132 flat angles C4'-P-C4' energy: -130.968 flat angles P-C4'-P energy: -76.569 tors. eta vs tors. theta energy: -71.559 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: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -949.870208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.870208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.870208 (E_RNA) where: Base-Base interactions energy: -527.175 where: short stacking energy: -276.040 Base-Backbone interact. energy: -3.719 local terms energy: -418.976588 where: bonds (distance) C4'-P energy: -93.980 bonds (distance) P-C4' energy: -134.858 flat angles C4'-P-C4' energy: -122.104 flat angles P-C4'-P energy: -53.269 tors. eta vs tors. theta energy: -14.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -3132.848545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.848545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.848545 (E_RNA) where: Base-Base interactions energy: -2174.107 where: short stacking energy: -948.770 Base-Backbone interact. energy: -4.657 local terms energy: -954.084617 where: bonds (distance) C4'-P energy: -172.779 bonds (distance) P-C4' energy: -171.286 flat angles C4'-P-C4' energy: -188.248 flat angles P-C4'-P energy: -136.810 tors. eta vs tors. theta energy: -284.963 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: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2981.082401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.082401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.082401 (E_RNA) where: Base-Base interactions energy: -2083.573 where: short stacking energy: -919.575 Base-Backbone interact. energy: -1.769 local terms energy: -895.740016 where: bonds (distance) C4'-P energy: -161.710 bonds (distance) P-C4' energy: -157.976 flat angles C4'-P-C4' energy: -178.690 flat angles P-C4'-P energy: -127.240 tors. eta vs tors. theta energy: -270.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2911.530367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.530367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.530367 (E_RNA) where: Base-Base interactions energy: -2011.531 where: short stacking energy: -905.657 Base-Backbone interact. energy: -4.238 local terms energy: -895.761428 where: bonds (distance) C4'-P energy: -156.166 bonds (distance) P-C4' energy: -156.213 flat angles C4'-P-C4' energy: -192.764 flat angles P-C4'-P energy: -123.745 tors. eta vs tors. theta energy: -266.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2779.223667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.223667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.223667 (E_RNA) where: Base-Base interactions energy: -1895.414 where: short stacking energy: -855.105 Base-Backbone interact. energy: -3.124 local terms energy: -880.685535 where: bonds (distance) C4'-P energy: -162.204 bonds (distance) P-C4' energy: -157.155 flat angles C4'-P-C4' energy: -191.945 flat angles P-C4'-P energy: -110.020 tors. eta vs tors. theta energy: -259.362 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: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2692.389697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.389697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.389697 (E_RNA) where: Base-Base interactions energy: -1900.007 where: short stacking energy: -832.958 Base-Backbone interact. energy: -1.843 local terms energy: -790.540227 where: bonds (distance) C4'-P energy: -153.130 bonds (distance) P-C4' energy: -108.216 flat angles C4'-P-C4' energy: -185.247 flat angles P-C4'-P energy: -104.723 tors. eta vs tors. theta energy: -239.224 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: 183 Temperature: 1.150000 Total energy: -2572.849288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.849288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.849288 (E_RNA) where: Base-Base interactions energy: -1771.607 where: short stacking energy: -804.503 Base-Backbone interact. energy: -1.381 local terms energy: -799.861260 where: bonds (distance) C4'-P energy: -131.368 bonds (distance) P-C4' energy: -151.282 flat angles C4'-P-C4' energy: -164.826 flat angles P-C4'-P energy: -120.188 tors. eta vs tors. theta energy: -232.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2308.594522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.594522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.594522 (E_RNA) where: Base-Base interactions energy: -1564.140 where: short stacking energy: -670.911 Base-Backbone interact. energy: -2.708 local terms energy: -741.746368 where: bonds (distance) C4'-P energy: -132.942 bonds (distance) P-C4' energy: -153.560 flat angles C4'-P-C4' energy: -172.164 flat angles P-C4'-P energy: -94.142 tors. eta vs tors. theta energy: -188.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -2090.981910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.981910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.981910 (E_RNA) where: Base-Base interactions energy: -1411.662 where: short stacking energy: -630.981 Base-Backbone interact. energy: 1.554 local terms energy: -680.873873 where: bonds (distance) C4'-P energy: -130.159 bonds (distance) P-C4' energy: -137.637 flat angles C4'-P-C4' energy: -149.609 flat angles P-C4'-P energy: -100.807 tors. eta vs tors. theta energy: -162.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1424.317795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.317795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.317795 (E_RNA) where: Base-Base interactions energy: -942.047 where: short stacking energy: -454.158 Base-Backbone interact. energy: 12.046 local terms energy: -494.316656 where: bonds (distance) C4'-P energy: -120.843 bonds (distance) P-C4' energy: -109.394 flat angles C4'-P-C4' energy: -122.748 flat angles P-C4'-P energy: -77.854 tors. eta vs tors. theta energy: -63.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1008.326468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.326468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.326468 (E_RNA) where: Base-Base interactions energy: -570.989 where: short stacking energy: -345.107 Base-Backbone interact. energy: -3.016 local terms energy: -434.321167 where: bonds (distance) C4'-P energy: -115.994 bonds (distance) P-C4' energy: -122.287 flat angles C4'-P-C4' energy: -133.351 flat angles P-C4'-P energy: -46.517 tors. eta vs tors. theta energy: -16.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -3130.485995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.485995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.485995 (E_RNA) where: Base-Base interactions energy: -2163.216 where: short stacking energy: -922.551 Base-Backbone interact. energy: -4.904 local terms energy: -962.366058 where: bonds (distance) C4'-P energy: -182.932 bonds (distance) P-C4' energy: -174.870 flat angles C4'-P-C4' energy: -189.812 flat angles P-C4'-P energy: -132.637 tors. eta vs tors. theta energy: -282.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2970.853781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.853781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.853781 (E_RNA) where: Base-Base interactions energy: -2091.382 where: short stacking energy: -895.834 Base-Backbone interact. energy: -5.756 local terms energy: -873.716044 where: bonds (distance) C4'-P energy: -151.241 bonds (distance) P-C4' energy: -156.333 flat angles C4'-P-C4' energy: -183.394 flat angles P-C4'-P energy: -121.454 tors. eta vs tors. theta energy: -261.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2952.651507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.651507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.651507 (E_RNA) where: Base-Base interactions energy: -2043.890 where: short stacking energy: -899.342 Base-Backbone interact. energy: 3.295 local terms energy: -912.056936 where: bonds (distance) C4'-P energy: -158.507 bonds (distance) P-C4' energy: -159.257 flat angles C4'-P-C4' energy: -198.304 flat angles P-C4'-P energy: -120.987 tors. eta vs tors. theta energy: -275.002 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: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2796.121481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.121481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.121481 (E_RNA) where: Base-Base interactions energy: -1928.017 where: short stacking energy: -855.077 Base-Backbone interact. energy: -4.469 local terms energy: -863.634963 where: bonds (distance) C4'-P energy: -156.925 bonds (distance) P-C4' energy: -156.142 flat angles C4'-P-C4' energy: -179.001 flat angles P-C4'-P energy: -117.196 tors. eta vs tors. theta energy: -254.371 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: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2659.291318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.291318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.291318 (E_RNA) where: Base-Base interactions energy: -1829.732 where: short stacking energy: -796.731 Base-Backbone interact. energy: -2.140 local terms energy: -827.419220 where: bonds (distance) C4'-P energy: -150.481 bonds (distance) P-C4' energy: -147.599 flat angles C4'-P-C4' energy: -180.718 flat angles P-C4'-P energy: -116.952 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: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2597.215231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.215231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.215231 (E_RNA) where: Base-Base interactions energy: -1831.533 where: short stacking energy: -818.821 Base-Backbone interact. energy: -1.888 local terms energy: -763.794227 where: bonds (distance) C4'-P energy: -126.725 bonds (distance) P-C4' energy: -130.561 flat angles C4'-P-C4' energy: -169.724 flat angles P-C4'-P energy: -96.010 tors. eta vs tors. theta energy: -240.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2396.752093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.752093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.752093 (E_RNA) where: Base-Base interactions energy: -1654.965 where: short stacking energy: -719.784 Base-Backbone interact. energy: -0.591 local terms energy: -741.196140 where: bonds (distance) C4'-P energy: -123.208 bonds (distance) P-C4' energy: -166.138 flat angles C4'-P-C4' energy: -152.721 flat angles P-C4'-P energy: -105.391 tors. eta vs tors. theta energy: -193.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -2081.054150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.054150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.054150 (E_RNA) where: Base-Base interactions energy: -1398.245 where: short stacking energy: -647.426 Base-Backbone interact. energy: -0.888 local terms energy: -681.921226 where: bonds (distance) C4'-P energy: -144.443 bonds (distance) P-C4' energy: -131.716 flat angles C4'-P-C4' energy: -150.808 flat angles P-C4'-P energy: -85.012 tors. eta vs tors. theta energy: -169.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1358.495587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.495587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.495587 (E_RNA) where: Base-Base interactions energy: -841.928 where: short stacking energy: -390.498 Base-Backbone interact. energy: 2.353 local terms energy: -518.919884 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -130.886 flat angles C4'-P-C4' energy: -138.317 flat angles P-C4'-P energy: -75.587 tors. eta vs tors. theta energy: -43.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1050.117356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.117356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.117356 (E_RNA) where: Base-Base interactions energy: -560.483 where: short stacking energy: -317.451 Base-Backbone interact. energy: -2.650 local terms energy: -486.984292 where: bonds (distance) C4'-P energy: -123.542 bonds (distance) P-C4' energy: -126.674 flat angles C4'-P-C4' energy: -134.403 flat angles P-C4'-P energy: -73.773 tors. eta vs tors. theta energy: -28.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3131.708594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.708594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.708594 (E_RNA) where: Base-Base interactions energy: -2194.795 where: short stacking energy: -957.500 Base-Backbone interact. energy: -1.030 local terms energy: -935.884033 where: bonds (distance) C4'-P energy: -165.121 bonds (distance) P-C4' energy: -154.571 flat angles C4'-P-C4' energy: -200.216 flat angles P-C4'-P energy: -130.387 tors. eta vs tors. theta energy: -285.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2941.622053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.622053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.622053 (E_RNA) where: Base-Base interactions energy: -2048.893 where: short stacking energy: -876.850 Base-Backbone interact. energy: -4.655 local terms energy: -888.073861 where: bonds (distance) C4'-P energy: -173.769 bonds (distance) P-C4' energy: -146.534 flat angles C4'-P-C4' energy: -177.726 flat angles P-C4'-P energy: -129.385 tors. eta vs tors. theta energy: -260.659 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: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2905.061949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.061949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.061949 (E_RNA) where: Base-Base interactions energy: -2028.666 where: short stacking energy: -898.715 Base-Backbone interact. energy: -3.254 local terms energy: -873.141991 where: bonds (distance) C4'-P energy: -162.525 bonds (distance) P-C4' energy: -147.835 flat angles C4'-P-C4' energy: -182.423 flat angles P-C4'-P energy: -106.953 tors. eta vs tors. theta energy: -273.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2740.519753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.519753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.519753 (E_RNA) where: Base-Base interactions energy: -1887.980 where: short stacking energy: -850.755 Base-Backbone interact. energy: -3.704 local terms energy: -848.836438 where: bonds (distance) C4'-P energy: -151.684 bonds (distance) P-C4' energy: -148.460 flat angles C4'-P-C4' energy: -179.200 flat angles P-C4'-P energy: -118.039 tors. eta vs tors. theta energy: -251.454 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: 185 Temperature: 1.100000 Total energy: -2671.628965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.628965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.628965 (E_RNA) where: Base-Base interactions energy: -1858.694 where: short stacking energy: -807.716 Base-Backbone interact. energy: 2.413 local terms energy: -815.347973 where: bonds (distance) C4'-P energy: -136.464 bonds (distance) P-C4' energy: -162.117 flat angles C4'-P-C4' energy: -183.614 flat angles P-C4'-P energy: -114.251 tors. eta vs tors. theta energy: -218.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2572.193650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.193650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.193650 (E_RNA) where: Base-Base interactions energy: -1777.424 where: short stacking energy: -810.771 Base-Backbone interact. energy: -0.018 local terms energy: -794.751539 where: bonds (distance) C4'-P energy: -127.986 bonds (distance) P-C4' energy: -136.454 flat angles C4'-P-C4' energy: -167.653 flat angles P-C4'-P energy: -112.017 tors. eta vs tors. theta energy: -250.641 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: 7, replica: 6 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2362.092436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.092436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.092436 (E_RNA) where: Base-Base interactions energy: -1628.660 where: short stacking energy: -707.815 Base-Backbone interact. energy: -1.399 local terms energy: -732.033644 where: bonds (distance) C4'-P energy: -124.439 bonds (distance) P-C4' energy: -140.795 flat angles C4'-P-C4' energy: -163.413 flat angles P-C4'-P energy: -101.185 tors. eta vs tors. theta energy: -202.202 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: 8, replica: 1 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -2093.245579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.245579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.245579 (E_RNA) where: Base-Base interactions energy: -1421.328 where: short stacking energy: -624.011 Base-Backbone interact. energy: 3.768 local terms energy: -675.685430 where: bonds (distance) C4'-P energy: -130.713 bonds (distance) P-C4' energy: -142.426 flat angles C4'-P-C4' energy: -146.551 flat angles P-C4'-P energy: -94.503 tors. eta vs tors. theta energy: -161.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1395.465845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.465845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.465845 (E_RNA) where: Base-Base interactions energy: -859.320 where: short stacking energy: -422.540 Base-Backbone interact. energy: 1.566 local terms energy: -537.711673 where: bonds (distance) C4'-P energy: -138.453 bonds (distance) P-C4' energy: -132.306 flat angles C4'-P-C4' energy: -116.600 flat angles P-C4'-P energy: -75.783 tors. eta vs tors. theta energy: -74.569 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: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1026.518933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.518933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.518933 (E_RNA) where: Base-Base interactions energy: -549.067 where: short stacking energy: -306.972 Base-Backbone interact. energy: 10.481 local terms energy: -487.932786 where: bonds (distance) C4'-P energy: -117.316 bonds (distance) P-C4' energy: -128.906 flat angles C4'-P-C4' energy: -137.250 flat angles P-C4'-P energy: -68.397 tors. eta vs tors. theta energy: -36.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -3087.192816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.192816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.192816 (E_RNA) where: Base-Base interactions energy: -2147.010 where: short stacking energy: -927.992 Base-Backbone interact. energy: -4.181 local terms energy: -936.001764 where: bonds (distance) C4'-P energy: -170.732 bonds (distance) P-C4' energy: -172.381 flat angles C4'-P-C4' energy: -188.115 flat angles P-C4'-P energy: -125.404 tors. eta vs tors. theta energy: -279.369 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: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2958.839925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.839925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.839925 (E_RNA) where: Base-Base interactions energy: -2040.562 where: short stacking energy: -896.940 Base-Backbone interact. energy: -3.017 local terms energy: -915.260766 where: bonds (distance) C4'-P energy: -175.793 bonds (distance) P-C4' energy: -179.847 flat angles C4'-P-C4' energy: -181.390 flat angles P-C4'-P energy: -115.026 tors. eta vs tors. theta energy: -263.205 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: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2918.692111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.692111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.692111 (E_RNA) where: Base-Base interactions energy: -2035.101 where: short stacking energy: -885.546 Base-Backbone interact. energy: -1.482 local terms energy: -882.109270 where: bonds (distance) C4'-P energy: -155.992 bonds (distance) P-C4' energy: -155.679 flat angles C4'-P-C4' energy: -172.199 flat angles P-C4'-P energy: -119.772 tors. eta vs tors. theta energy: -278.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2748.666131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.666131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.666131 (E_RNA) where: Base-Base interactions energy: -1878.529 where: short stacking energy: -837.248 Base-Backbone interact. energy: -1.085 local terms energy: -869.052479 where: bonds (distance) C4'-P energy: -154.249 bonds (distance) P-C4' energy: -161.380 flat angles C4'-P-C4' energy: -186.101 flat angles P-C4'-P energy: -116.993 tors. eta vs tors. theta energy: -250.329 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: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2673.444281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.444281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.444281 (E_RNA) where: Base-Base interactions energy: -1856.968 where: short stacking energy: -839.944 Base-Backbone interact. energy: -2.530 local terms energy: -813.946768 where: bonds (distance) C4'-P energy: -132.979 bonds (distance) P-C4' energy: -151.801 flat angles C4'-P-C4' energy: -171.894 flat angles P-C4'-P energy: -104.179 tors. eta vs tors. theta energy: -253.093 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: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2609.863043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.863043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.863043 (E_RNA) where: Base-Base interactions energy: -1783.542 where: short stacking energy: -805.831 Base-Backbone interact. energy: 0.639 local terms energy: -826.959628 where: bonds (distance) C4'-P energy: -139.851 bonds (distance) P-C4' energy: -169.167 flat angles C4'-P-C4' energy: -167.994 flat angles P-C4'-P energy: -113.959 tors. eta vs tors. theta energy: -235.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2388.422431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.422431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.422431 (E_RNA) where: Base-Base interactions energy: -1637.581 where: short stacking energy: -708.440 Base-Backbone interact. energy: -3.122 local terms energy: -747.719151 where: bonds (distance) C4'-P energy: -148.595 bonds (distance) P-C4' energy: -148.405 flat angles C4'-P-C4' energy: -157.558 flat angles P-C4'-P energy: -97.071 tors. eta vs tors. theta energy: -196.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -2060.129722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.129722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.129722 (E_RNA) where: Base-Base interactions energy: -1391.588 where: short stacking energy: -648.619 Base-Backbone interact. energy: 2.670 local terms energy: -671.211951 where: bonds (distance) C4'-P energy: -127.640 bonds (distance) P-C4' energy: -126.444 flat angles C4'-P-C4' energy: -166.185 flat angles P-C4'-P energy: -87.514 tors. eta vs tors. theta energy: -163.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1421.323148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.323148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.323148 (E_RNA) where: Base-Base interactions energy: -896.907 where: short stacking energy: -422.147 Base-Backbone interact. energy: 7.004 local terms energy: -531.420626 where: bonds (distance) C4'-P energy: -129.548 bonds (distance) P-C4' energy: -145.594 flat angles C4'-P-C4' energy: -120.340 flat angles P-C4'-P energy: -67.620 tors. eta vs tors. theta energy: -68.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -897.549968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.549968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.549968 (E_RNA) where: Base-Base interactions energy: -414.395 where: short stacking energy: -228.841 Base-Backbone interact. energy: 3.644 local terms energy: -486.798478 where: bonds (distance) C4'-P energy: -134.467 bonds (distance) P-C4' energy: -143.930 flat angles C4'-P-C4' energy: -126.257 flat angles P-C4'-P energy: -83.359 tors. eta vs tors. theta energy: 1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3102.169200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.169200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.169200 (E_RNA) where: Base-Base interactions energy: -2157.974 where: short stacking energy: -926.175 Base-Backbone interact. energy: -6.402 local terms energy: -937.793698 where: bonds (distance) C4'-P energy: -168.276 bonds (distance) P-C4' energy: -154.482 flat angles C4'-P-C4' energy: -191.773 flat angles P-C4'-P energy: -143.878 tors. eta vs tors. theta energy: -279.385 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: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2974.718570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.718570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.718570 (E_RNA) where: Base-Base interactions energy: -2036.101 where: short stacking energy: -896.419 Base-Backbone interact. energy: -0.388 local terms energy: -938.229339 where: bonds (distance) C4'-P energy: -170.643 bonds (distance) P-C4' energy: -172.957 flat angles C4'-P-C4' energy: -186.807 flat angles P-C4'-P energy: -128.166 tors. eta vs tors. theta energy: -279.657 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: 4 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2876.718060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.718060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.718060 (E_RNA) where: Base-Base interactions energy: -1991.038 where: short stacking energy: -866.505 Base-Backbone interact. energy: -0.200 local terms energy: -885.479884 where: bonds (distance) C4'-P energy: -155.686 bonds (distance) P-C4' energy: -156.936 flat angles C4'-P-C4' energy: -184.603 flat angles P-C4'-P energy: -130.140 tors. eta vs tors. theta energy: -258.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2767.712734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.712734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.712734 (E_RNA) where: Base-Base interactions energy: -1901.662 where: short stacking energy: -861.540 Base-Backbone interact. energy: -1.751 local terms energy: -864.300069 where: bonds (distance) C4'-P energy: -159.533 bonds (distance) P-C4' energy: -144.822 flat angles C4'-P-C4' energy: -177.547 flat angles P-C4'-P energy: -132.380 tors. eta vs tors. theta energy: -250.019 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: 5, replica: 2 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2711.377066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.377066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.377066 (E_RNA) where: Base-Base interactions energy: -1885.433 where: short stacking energy: -835.754 Base-Backbone interact. energy: -6.010 local terms energy: -819.934195 where: bonds (distance) C4'-P energy: -145.837 bonds (distance) P-C4' energy: -141.501 flat angles C4'-P-C4' energy: -176.416 flat angles P-C4'-P energy: -107.121 tors. eta vs tors. theta energy: -249.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2623.963648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.963648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.963648 (E_RNA) where: Base-Base interactions energy: -1820.850 where: short stacking energy: -802.254 Base-Backbone interact. energy: -2.568 local terms energy: -800.545973 where: bonds (distance) C4'-P energy: -136.323 bonds (distance) P-C4' energy: -133.604 flat angles C4'-P-C4' energy: -185.461 flat angles P-C4'-P energy: -121.047 tors. eta vs tors. theta energy: -224.112 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: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2358.551628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.551628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.551628 (E_RNA) where: Base-Base interactions energy: -1651.719 where: short stacking energy: -712.337 Base-Backbone interact. energy: 0.618 local terms energy: -707.450951 where: bonds (distance) C4'-P energy: -132.118 bonds (distance) P-C4' energy: -150.351 flat angles C4'-P-C4' energy: -137.298 flat angles P-C4'-P energy: -99.678 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: 1 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -2067.727807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.727807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.727807 (E_RNA) where: Base-Base interactions energy: -1392.415 where: short stacking energy: -638.978 Base-Backbone interact. energy: -1.121 local terms energy: -674.191320 where: bonds (distance) C4'-P energy: -122.356 bonds (distance) P-C4' energy: -123.193 flat angles C4'-P-C4' energy: -160.909 flat angles P-C4'-P energy: -95.195 tors. eta vs tors. theta energy: -172.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1386.445370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.445370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.445370 (E_RNA) where: Base-Base interactions energy: -847.445 where: short stacking energy: -382.541 Base-Backbone interact. energy: 0.898 local terms energy: -539.898453 where: bonds (distance) C4'-P energy: -132.553 bonds (distance) P-C4' energy: -144.001 flat angles C4'-P-C4' energy: -129.281 flat angles P-C4'-P energy: -59.415 tors. eta vs tors. theta energy: -74.648 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: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -970.194039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.194039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.194039 (E_RNA) where: Base-Base interactions energy: -533.344 where: short stacking energy: -310.534 Base-Backbone interact. energy: 7.514 local terms energy: -444.363696 where: bonds (distance) C4'-P energy: -133.577 bonds (distance) P-C4' energy: -120.568 flat angles C4'-P-C4' energy: -121.511 flat angles P-C4'-P energy: -64.114 tors. eta vs tors. theta energy: -4.594 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: 1, replica: 3 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3112.632436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.632436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.632436 (E_RNA) where: Base-Base interactions energy: -2146.312 where: short stacking energy: -930.846 Base-Backbone interact. energy: -1.879 local terms energy: -964.441193 where: bonds (distance) C4'-P energy: -175.443 bonds (distance) P-C4' energy: -183.137 flat angles C4'-P-C4' energy: -191.706 flat angles P-C4'-P energy: -141.016 tors. eta vs tors. theta energy: -273.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2988.635133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.635133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.635133 (E_RNA) where: Base-Base interactions energy: -2084.312 where: short stacking energy: -926.558 Base-Backbone interact. energy: -1.236 local terms energy: -903.086794 where: bonds (distance) C4'-P energy: -155.654 bonds (distance) P-C4' energy: -142.115 flat angles C4'-P-C4' energy: -184.880 flat angles P-C4'-P energy: -135.606 tors. eta vs tors. theta energy: -284.831 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: 4 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2889.302409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.302409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.302409 (E_RNA) where: Base-Base interactions energy: -2017.075 where: short stacking energy: -869.471 Base-Backbone interact. energy: -2.787 local terms energy: -869.440469 where: bonds (distance) C4'-P energy: -147.709 bonds (distance) P-C4' energy: -159.567 flat angles C4'-P-C4' energy: -180.263 flat angles P-C4'-P energy: -134.195 tors. eta vs tors. theta energy: -247.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2795.950218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.950218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.950218 (E_RNA) where: Base-Base interactions energy: -1949.014 where: short stacking energy: -874.847 Base-Backbone interact. energy: -3.491 local terms energy: -843.445311 where: bonds (distance) C4'-P energy: -141.085 bonds (distance) P-C4' energy: -152.788 flat angles C4'-P-C4' energy: -175.563 flat angles P-C4'-P energy: -109.327 tors. eta vs tors. theta energy: -264.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2705.009426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.009426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.009426 (E_RNA) where: Base-Base interactions energy: -1846.622 where: short stacking energy: -829.610 Base-Backbone interact. energy: -4.553 local terms energy: -853.834519 where: bonds (distance) C4'-P energy: -142.503 bonds (distance) P-C4' energy: -167.029 flat angles C4'-P-C4' energy: -172.759 flat angles P-C4'-P energy: -118.131 tors. eta vs tors. theta energy: -253.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2566.407447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.407447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.407447 (E_RNA) where: Base-Base interactions energy: -1794.092 where: short stacking energy: -804.131 Base-Backbone interact. energy: -1.543 local terms energy: -770.772004 where: bonds (distance) C4'-P energy: -134.813 bonds (distance) P-C4' energy: -115.723 flat angles C4'-P-C4' energy: -174.281 flat angles P-C4'-P energy: -115.346 tors. eta vs tors. theta energy: -230.608 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: 188 Temperature: 1.200000 Total energy: -2355.587028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.587028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.587028 (E_RNA) where: Base-Base interactions energy: -1633.150 where: short stacking energy: -710.498 Base-Backbone interact. energy: -3.650 local terms energy: -718.787412 where: bonds (distance) C4'-P energy: -108.252 bonds (distance) P-C4' energy: -164.898 flat angles C4'-P-C4' energy: -154.242 flat angles P-C4'-P energy: -97.105 tors. eta vs tors. theta energy: -194.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -2049.423607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.423607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.423607 (E_RNA) where: Base-Base interactions energy: -1371.521 where: short stacking energy: -605.210 Base-Backbone interact. energy: 3.654 local terms energy: -681.556449 where: bonds (distance) C4'-P energy: -149.050 bonds (distance) P-C4' energy: -123.400 flat angles C4'-P-C4' energy: -140.655 flat angles P-C4'-P energy: -99.254 tors. eta vs tors. theta energy: -169.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1346.478460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.478460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.478460 (E_RNA) where: Base-Base interactions energy: -811.647 where: short stacking energy: -384.458 Base-Backbone interact. energy: 2.797 local terms energy: -537.628539 where: bonds (distance) C4'-P energy: -147.037 bonds (distance) P-C4' energy: -129.152 flat angles C4'-P-C4' energy: -126.688 flat angles P-C4'-P energy: -74.385 tors. eta vs tors. theta energy: -60.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -985.260097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.260097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.260097 (E_RNA) where: Base-Base interactions energy: -536.809 where: short stacking energy: -328.488 Base-Backbone interact. energy: 3.096 local terms energy: -451.547125 where: bonds (distance) C4'-P energy: -117.404 bonds (distance) P-C4' energy: -116.833 flat angles C4'-P-C4' energy: -119.440 flat angles P-C4'-P energy: -65.636 tors. eta vs tors. theta energy: -32.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3107.594189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.594189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.594189 (E_RNA) where: Base-Base interactions energy: -2162.486 where: short stacking energy: -943.973 Base-Backbone interact. energy: -6.629 local terms energy: -938.479308 where: bonds (distance) C4'-P energy: -164.017 bonds (distance) P-C4' energy: -165.945 flat angles C4'-P-C4' energy: -207.584 flat angles P-C4'-P energy: -117.287 tors. eta vs tors. theta energy: -283.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2915.829157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.829157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.829157 (E_RNA) where: Base-Base interactions energy: -2025.881 where: short stacking energy: -886.914 Base-Backbone interact. energy: -4.689 local terms energy: -885.259333 where: bonds (distance) C4'-P energy: -157.881 bonds (distance) P-C4' energy: -150.790 flat angles C4'-P-C4' energy: -190.247 flat angles P-C4'-P energy: -127.810 tors. eta vs tors. theta energy: -258.531 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: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2914.634720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.634720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.634720 (E_RNA) where: Base-Base interactions energy: -2020.268 where: short stacking energy: -885.908 Base-Backbone interact. energy: -3.462 local terms energy: -890.904379 where: bonds (distance) C4'-P energy: -161.391 bonds (distance) P-C4' energy: -165.834 flat angles C4'-P-C4' energy: -178.978 flat angles P-C4'-P energy: -114.680 tors. eta vs tors. theta energy: -270.022 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: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2789.077619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.077619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.077619 (E_RNA) where: Base-Base interactions energy: -1912.106 where: short stacking energy: -842.054 Base-Backbone interact. energy: -4.747 local terms energy: -872.225035 where: bonds (distance) C4'-P energy: -145.774 bonds (distance) P-C4' energy: -165.229 flat angles C4'-P-C4' energy: -182.090 flat angles P-C4'-P energy: -119.192 tors. eta vs tors. theta energy: -259.939 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: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2707.744707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.744707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.744707 (E_RNA) where: Base-Base interactions energy: -1885.408 where: short stacking energy: -841.182 Base-Backbone interact. energy: -2.392 local terms energy: -819.944245 where: bonds (distance) C4'-P energy: -131.789 bonds (distance) P-C4' energy: -139.392 flat angles C4'-P-C4' energy: -181.150 flat angles P-C4'-P energy: -114.448 tors. eta vs tors. theta energy: -253.165 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: 7 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2582.350600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.350600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.350600 (E_RNA) where: Base-Base interactions energy: -1776.086 where: short stacking energy: -810.203 Base-Backbone interact. energy: -1.744 local terms energy: -804.520899 where: bonds (distance) C4'-P energy: -154.620 bonds (distance) P-C4' energy: -128.989 flat angles C4'-P-C4' energy: -179.826 flat angles P-C4'-P energy: -108.984 tors. eta vs tors. theta energy: -232.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -2326.852460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.852460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.852460 (E_RNA) where: Base-Base interactions energy: -1617.283 where: short stacking energy: -736.830 Base-Backbone interact. energy: 0.831 local terms energy: -710.399990 where: bonds (distance) C4'-P energy: -121.639 bonds (distance) P-C4' energy: -139.414 flat angles C4'-P-C4' energy: -150.026 flat angles P-C4'-P energy: -106.589 tors. eta vs tors. theta energy: -192.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -2059.938513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.938513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.938513 (E_RNA) where: Base-Base interactions energy: -1370.831 where: short stacking energy: -601.628 Base-Backbone interact. energy: -2.981 local terms energy: -686.125844 where: bonds (distance) C4'-P energy: -137.583 bonds (distance) P-C4' energy: -127.332 flat angles C4'-P-C4' energy: -159.582 flat angles P-C4'-P energy: -94.371 tors. eta vs tors. theta energy: -167.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1217.384283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.384283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.384283 (E_RNA) where: Base-Base interactions energy: -709.153 where: short stacking energy: -355.422 Base-Backbone interact. energy: -1.784 local terms energy: -506.446705 where: bonds (distance) C4'-P energy: -132.357 bonds (distance) P-C4' energy: -139.658 flat angles C4'-P-C4' energy: -135.156 flat angles P-C4'-P energy: -64.269 tors. eta vs tors. theta energy: -35.007 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: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1041.941954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.941954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.941954 (E_RNA) where: Base-Base interactions energy: -579.766 where: short stacking energy: -285.547 Base-Backbone interact. energy: -4.027 local terms energy: -458.149182 where: bonds (distance) C4'-P energy: -128.125 bonds (distance) P-C4' energy: -132.710 flat angles C4'-P-C4' energy: -119.300 flat angles P-C4'-P energy: -60.474 tors. eta vs tors. theta energy: -17.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3117.442574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.442574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.442574 (E_RNA) where: Base-Base interactions energy: -2170.803 where: short stacking energy: -952.502 Base-Backbone interact. energy: -5.525 local terms energy: -941.114437 where: bonds (distance) C4'-P energy: -158.101 bonds (distance) P-C4' energy: -178.000 flat angles C4'-P-C4' energy: -202.462 flat angles P-C4'-P energy: -121.165 tors. eta vs tors. theta energy: -281.386 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: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2964.068673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.068673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.068673 (E_RNA) where: Base-Base interactions energy: -2040.922 where: short stacking energy: -894.380 Base-Backbone interact. energy: -6.739 local terms energy: -916.407998 where: bonds (distance) C4'-P energy: -169.022 bonds (distance) P-C4' energy: -162.926 flat angles C4'-P-C4' energy: -190.215 flat angles P-C4'-P energy: -123.074 tors. eta vs tors. theta energy: -271.171 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: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2939.523136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.523136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.523136 (E_RNA) where: Base-Base interactions energy: -2061.886 where: short stacking energy: -909.551 Base-Backbone interact. energy: -1.837 local terms energy: -875.800309 where: bonds (distance) C4'-P energy: -141.452 bonds (distance) P-C4' energy: -145.863 flat angles C4'-P-C4' energy: -182.528 flat angles P-C4'-P energy: -137.118 tors. eta vs tors. theta energy: -268.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2770.820884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.820884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.820884 (E_RNA) where: Base-Base interactions energy: -1926.807 where: short stacking energy: -865.310 Base-Backbone interact. energy: -4.689 local terms energy: -839.324732 where: bonds (distance) C4'-P energy: -148.930 bonds (distance) P-C4' energy: -149.285 flat angles C4'-P-C4' energy: -176.782 flat angles P-C4'-P energy: -114.508 tors. eta vs tors. theta energy: -249.820 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: 190 Temperature: 1.100000 Total energy: -2727.118829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.118829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.118829 (E_RNA) where: Base-Base interactions energy: -1873.956 where: short stacking energy: -815.559 Base-Backbone interact. energy: -3.697 local terms energy: -849.465952 where: bonds (distance) C4'-P energy: -149.355 bonds (distance) P-C4' energy: -149.543 flat angles C4'-P-C4' energy: -181.291 flat angles P-C4'-P energy: -127.631 tors. eta vs tors. theta energy: -241.646 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: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2581.410862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.410862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.410862 (E_RNA) where: Base-Base interactions energy: -1799.039 where: short stacking energy: -751.817 Base-Backbone interact. energy: 0.168 local terms energy: -782.540287 where: bonds (distance) C4'-P energy: -140.701 bonds (distance) P-C4' energy: -143.863 flat angles C4'-P-C4' energy: -173.959 flat angles P-C4'-P energy: -108.926 tors. eta vs tors. theta energy: -215.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2383.982194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.982194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.982194 (E_RNA) where: Base-Base interactions energy: -1692.125 where: short stacking energy: -755.299 Base-Backbone interact. energy: -1.519 local terms energy: -690.338568 where: bonds (distance) C4'-P energy: -83.299 bonds (distance) P-C4' energy: -136.590 flat angles C4'-P-C4' energy: -172.995 flat angles P-C4'-P energy: -94.636 tors. eta vs tors. theta energy: -202.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1949.403037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.403037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.403037 (E_RNA) where: Base-Base interactions energy: -1323.631 where: short stacking energy: -606.803 Base-Backbone interact. energy: -2.055 local terms energy: -623.716112 where: bonds (distance) C4'-P energy: -126.489 bonds (distance) P-C4' energy: -127.805 flat angles C4'-P-C4' energy: -137.511 flat angles P-C4'-P energy: -91.969 tors. eta vs tors. theta energy: -139.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1323.654675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.654675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.654675 (E_RNA) where: Base-Base interactions energy: -775.166 where: short stacking energy: -376.334 Base-Backbone interact. energy: 3.367 local terms energy: -551.856350 where: bonds (distance) C4'-P energy: -120.327 bonds (distance) P-C4' energy: -129.257 flat angles C4'-P-C4' energy: -139.956 flat angles P-C4'-P energy: -107.343 tors. eta vs tors. theta energy: -54.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1001.537660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.537660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.537660 (E_RNA) where: Base-Base interactions energy: -567.755 where: short stacking energy: -289.458 Base-Backbone interact. energy: 14.341 local terms energy: -448.123851 where: bonds (distance) C4'-P energy: -120.417 bonds (distance) P-C4' energy: -128.851 flat angles C4'-P-C4' energy: -116.888 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -9.226 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: 3 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3102.758811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.758811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.758811 (E_RNA) where: Base-Base interactions energy: -2179.522 where: short stacking energy: -946.228 Base-Backbone interact. energy: -8.072 local terms energy: -915.164928 where: bonds (distance) C4'-P energy: -159.481 bonds (distance) P-C4' energy: -158.421 flat angles C4'-P-C4' energy: -185.310 flat angles P-C4'-P energy: -125.412 tors. eta vs tors. theta energy: -286.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2967.964188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.964188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.964188 (E_RNA) where: Base-Base interactions energy: -2072.491 where: short stacking energy: -919.107 Base-Backbone interact. energy: -3.870 local terms energy: -891.603030 where: bonds (distance) C4'-P energy: -153.964 bonds (distance) P-C4' energy: -147.325 flat angles C4'-P-C4' energy: -188.598 flat angles P-C4'-P energy: -120.980 tors. eta vs tors. theta energy: -280.736 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: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2894.159398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.159398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.159398 (E_RNA) where: Base-Base interactions energy: -2015.715 where: short stacking energy: -889.271 Base-Backbone interact. energy: -2.522 local terms energy: -875.921771 where: bonds (distance) C4'-P energy: -150.324 bonds (distance) P-C4' energy: -153.336 flat angles C4'-P-C4' energy: -188.739 flat angles P-C4'-P energy: -114.012 tors. eta vs tors. theta energy: -269.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2820.351914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.351914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.351914 (E_RNA) where: Base-Base interactions energy: -1946.515 where: short stacking energy: -871.306 Base-Backbone interact. energy: -1.732 local terms energy: -872.104410 where: bonds (distance) C4'-P energy: -141.935 bonds (distance) P-C4' energy: -172.943 flat angles C4'-P-C4' energy: -187.254 flat angles P-C4'-P energy: -113.887 tors. eta vs tors. theta energy: -256.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2664.027040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.027040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.027040 (E_RNA) where: Base-Base interactions energy: -1825.641 where: short stacking energy: -814.509 Base-Backbone interact. energy: -3.784 local terms energy: -834.602662 where: bonds (distance) C4'-P energy: -145.897 bonds (distance) P-C4' energy: -140.347 flat angles C4'-P-C4' energy: -178.029 flat angles P-C4'-P energy: -121.399 tors. eta vs tors. theta energy: -248.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2547.227416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.227416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.227416 (E_RNA) where: Base-Base interactions energy: -1753.783 where: short stacking energy: -754.878 Base-Backbone interact. energy: 0.425 local terms energy: -793.868885 where: bonds (distance) C4'-P energy: -147.200 bonds (distance) P-C4' energy: -147.986 flat angles C4'-P-C4' energy: -181.552 flat angles P-C4'-P energy: -112.860 tors. eta vs tors. theta energy: -204.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2403.969576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.969576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.969576 (E_RNA) where: Base-Base interactions energy: -1681.143 where: short stacking energy: -721.353 Base-Backbone interact. energy: -4.694 local terms energy: -718.133246 where: bonds (distance) C4'-P energy: -104.371 bonds (distance) P-C4' energy: -139.411 flat angles C4'-P-C4' energy: -161.504 flat angles P-C4'-P energy: -107.134 tors. eta vs tors. theta energy: -205.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1956.596458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.596458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.596458 (E_RNA) where: Base-Base interactions energy: -1320.037 where: short stacking energy: -612.544 Base-Backbone interact. energy: 0.075 local terms energy: -636.633798 where: bonds (distance) C4'-P energy: -133.328 bonds (distance) P-C4' energy: -124.569 flat angles C4'-P-C4' energy: -153.254 flat angles P-C4'-P energy: -88.193 tors. eta vs tors. theta energy: -137.290 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: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1335.146841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.146841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.146841 (E_RNA) where: Base-Base interactions energy: -749.735 where: short stacking energy: -382.866 Base-Backbone interact. energy: 1.009 local terms energy: -586.420399 where: bonds (distance) C4'-P energy: -145.358 bonds (distance) P-C4' energy: -148.029 flat angles C4'-P-C4' energy: -128.195 flat angles P-C4'-P energy: -98.468 tors. eta vs tors. theta energy: -66.369 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: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1130.117229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.117229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.117229 (E_RNA) where: Base-Base interactions energy: -661.154 where: short stacking energy: -345.021 Base-Backbone interact. energy: -2.603 local terms energy: -466.360387 where: bonds (distance) C4'-P energy: -127.365 bonds (distance) P-C4' energy: -128.032 flat angles C4'-P-C4' energy: -113.937 flat angles P-C4'-P energy: -75.252 tors. eta vs tors. theta energy: -21.774 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: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3107.834411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.834411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.834411 (E_RNA) where: Base-Base interactions energy: -2177.483 where: short stacking energy: -959.577 Base-Backbone interact. energy: -2.381 local terms energy: -927.970488 where: bonds (distance) C4'-P energy: -158.751 bonds (distance) P-C4' energy: -165.500 flat angles C4'-P-C4' energy: -186.443 flat angles P-C4'-P energy: -144.342 tors. eta vs tors. theta energy: -272.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2935.376203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.376203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.376203 (E_RNA) where: Base-Base interactions energy: -2025.786 where: short stacking energy: -896.386 Base-Backbone interact. energy: -1.408 local terms energy: -908.182113 where: bonds (distance) C4'-P energy: -144.252 bonds (distance) P-C4' energy: -162.640 flat angles C4'-P-C4' energy: -196.530 flat angles P-C4'-P energy: -132.661 tors. eta vs tors. theta energy: -272.099 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: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2940.278153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.278153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.278153 (E_RNA) where: Base-Base interactions energy: -2048.481 where: short stacking energy: -880.594 Base-Backbone interact. energy: 2.407 local terms energy: -894.204567 where: bonds (distance) C4'-P energy: -159.901 bonds (distance) P-C4' energy: -158.224 flat angles C4'-P-C4' energy: -183.234 flat angles P-C4'-P energy: -124.544 tors. eta vs tors. theta energy: -268.301 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: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2792.120683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.120683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.120683 (E_RNA) where: Base-Base interactions energy: -1908.636 where: short stacking energy: -852.439 Base-Backbone interact. energy: -7.200 local terms energy: -876.284983 where: bonds (distance) C4'-P energy: -153.128 bonds (distance) P-C4' energy: -169.304 flat angles C4'-P-C4' energy: -193.953 flat angles P-C4'-P energy: -120.604 tors. eta vs tors. theta energy: -239.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2685.628029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.628029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.628029 (E_RNA) where: Base-Base interactions energy: -1847.972 where: short stacking energy: -826.724 Base-Backbone interact. energy: -4.615 local terms energy: -833.040928 where: bonds (distance) C4'-P energy: -156.558 bonds (distance) P-C4' energy: -156.609 flat angles C4'-P-C4' energy: -158.978 flat angles P-C4'-P energy: -117.616 tors. eta vs tors. theta energy: -243.281 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: 7 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2534.838369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.838369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.838369 (E_RNA) where: Base-Base interactions energy: -1745.646 where: short stacking energy: -763.617 Base-Backbone interact. energy: -0.359 local terms energy: -788.833084 where: bonds (distance) C4'-P energy: -155.208 bonds (distance) P-C4' energy: -152.773 flat angles C4'-P-C4' energy: -151.400 flat angles P-C4'-P energy: -119.615 tors. eta vs tors. theta energy: -209.837 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: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2425.059154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.059154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.059154 (E_RNA) where: Base-Base interactions energy: -1656.670 where: short stacking energy: -711.102 Base-Backbone interact. energy: -1.766 local terms energy: -766.623495 where: bonds (distance) C4'-P energy: -128.109 bonds (distance) P-C4' energy: -157.384 flat angles C4'-P-C4' energy: -174.585 flat angles P-C4'-P energy: -114.149 tors. eta vs tors. theta energy: -192.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -2001.702214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.702214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.702214 (E_RNA) where: Base-Base interactions energy: -1330.628 where: short stacking energy: -589.959 Base-Backbone interact. energy: -2.059 local terms energy: -669.015728 where: bonds (distance) C4'-P energy: -109.333 bonds (distance) P-C4' energy: -140.896 flat angles C4'-P-C4' energy: -162.568 flat angles P-C4'-P energy: -110.010 tors. eta vs tors. theta energy: -146.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1322.066287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.066287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.066287 (E_RNA) where: Base-Base interactions energy: -771.277 where: short stacking energy: -411.447 Base-Backbone interact. energy: 2.449 local terms energy: -553.237819 where: bonds (distance) C4'-P energy: -131.355 bonds (distance) P-C4' energy: -141.758 flat angles C4'-P-C4' energy: -145.035 flat angles P-C4'-P energy: -76.427 tors. eta vs tors. theta energy: -58.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1138.638095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.638095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.638095 (E_RNA) where: Base-Base interactions energy: -646.859 where: short stacking energy: -321.764 Base-Backbone interact. energy: -1.320 local terms energy: -490.459515 where: bonds (distance) C4'-P energy: -125.221 bonds (distance) P-C4' energy: -122.556 flat angles C4'-P-C4' energy: -131.938 flat angles P-C4'-P energy: -76.476 tors. eta vs tors. theta energy: -34.270 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: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3121.924286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.924286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.924286 (E_RNA) where: Base-Base interactions energy: -2189.151 where: short stacking energy: -934.422 Base-Backbone interact. energy: -6.813 local terms energy: -925.960149 where: bonds (distance) C4'-P energy: -150.020 bonds (distance) P-C4' energy: -154.108 flat angles C4'-P-C4' energy: -202.707 flat angles P-C4'-P energy: -140.405 tors. eta vs tors. theta energy: -278.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2941.033430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.033430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.033430 (E_RNA) where: Base-Base interactions energy: -2024.475 where: short stacking energy: -906.512 Base-Backbone interact. energy: -1.096 local terms energy: -915.462697 where: bonds (distance) C4'-P energy: -168.484 bonds (distance) P-C4' energy: -149.722 flat angles C4'-P-C4' energy: -188.840 flat angles P-C4'-P energy: -139.116 tors. eta vs tors. theta energy: -269.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2892.106842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.106842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.106842 (E_RNA) where: Base-Base interactions energy: -2033.705 where: short stacking energy: -904.554 Base-Backbone interact. energy: -3.432 local terms energy: -854.969760 where: bonds (distance) C4'-P energy: -152.682 bonds (distance) P-C4' energy: -135.547 flat angles C4'-P-C4' energy: -172.491 flat angles P-C4'-P energy: -124.411 tors. eta vs tors. theta energy: -269.839 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: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2830.256016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.256016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.256016 (E_RNA) where: Base-Base interactions energy: -1965.582 where: short stacking energy: -872.930 Base-Backbone interact. energy: 1.302 local terms energy: -865.976190 where: bonds (distance) C4'-P energy: -160.694 bonds (distance) P-C4' energy: -149.942 flat angles C4'-P-C4' energy: -191.041 flat angles P-C4'-P energy: -108.458 tors. eta vs tors. theta energy: -255.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2702.057344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.057344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.057344 (E_RNA) where: Base-Base interactions energy: -1889.642 where: short stacking energy: -812.680 Base-Backbone interact. energy: -1.627 local terms energy: -810.788086 where: bonds (distance) C4'-P energy: -131.140 bonds (distance) P-C4' energy: -142.655 flat angles C4'-P-C4' energy: -174.221 flat angles P-C4'-P energy: -126.950 tors. eta vs tors. theta energy: -235.821 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: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2614.014993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.014993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.014993 (E_RNA) where: Base-Base interactions energy: -1825.426 where: short stacking energy: -760.291 Base-Backbone interact. energy: -3.302 local terms energy: -785.286926 where: bonds (distance) C4'-P energy: -131.051 bonds (distance) P-C4' energy: -140.566 flat angles C4'-P-C4' energy: -187.408 flat angles P-C4'-P energy: -105.538 tors. eta vs tors. theta energy: -220.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -2419.399235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.399235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.399235 (E_RNA) where: Base-Base interactions energy: -1666.775 where: short stacking energy: -727.470 Base-Backbone interact. energy: 1.028 local terms energy: -753.651709 where: bonds (distance) C4'-P energy: -121.117 bonds (distance) P-C4' energy: -136.122 flat angles C4'-P-C4' energy: -176.550 flat angles P-C4'-P energy: -111.918 tors. eta vs tors. theta energy: -207.943 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: 193 Temperature: 1.250000 Total energy: -1926.164772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.164772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.164772 (E_RNA) where: Base-Base interactions energy: -1299.011 where: short stacking energy: -620.796 Base-Backbone interact. energy: -2.265 local terms energy: -624.888856 where: bonds (distance) C4'-P energy: -123.362 bonds (distance) P-C4' energy: -133.540 flat angles C4'-P-C4' energy: -132.442 flat angles P-C4'-P energy: -85.559 tors. eta vs tors. theta energy: -149.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1353.842870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.842870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.842870 (E_RNA) where: Base-Base interactions energy: -826.562 where: short stacking energy: -421.148 Base-Backbone interact. energy: -1.643 local terms energy: -525.638565 where: bonds (distance) C4'-P energy: -110.761 bonds (distance) P-C4' energy: -139.258 flat angles C4'-P-C4' energy: -118.732 flat angles P-C4'-P energy: -87.874 tors. eta vs tors. theta energy: -69.015 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: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1091.235100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.235100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.235100 (E_RNA) where: Base-Base interactions energy: -627.604 where: short stacking energy: -318.380 Base-Backbone interact. energy: 5.756 local terms energy: -469.387002 where: bonds (distance) C4'-P energy: -135.042 bonds (distance) P-C4' energy: -116.324 flat angles C4'-P-C4' energy: -125.039 flat angles P-C4'-P energy: -67.539 tors. eta vs tors. theta energy: -25.443 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: 3 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -3111.865781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.865781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.865781 (E_RNA) where: Base-Base interactions energy: -2163.242 where: short stacking energy: -934.153 Base-Backbone interact. energy: -5.329 local terms energy: -943.294909 where: bonds (distance) C4'-P energy: -158.196 bonds (distance) P-C4' energy: -176.907 flat angles C4'-P-C4' energy: -195.573 flat angles P-C4'-P energy: -132.917 tors. eta vs tors. theta energy: -279.701 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: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2949.081870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.081870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.081870 (E_RNA) where: Base-Base interactions energy: -2035.860 where: short stacking energy: -916.400 Base-Backbone interact. energy: -4.705 local terms energy: -908.516585 where: bonds (distance) C4'-P energy: -157.625 bonds (distance) P-C4' energy: -160.369 flat angles C4'-P-C4' energy: -190.998 flat angles P-C4'-P energy: -134.829 tors. eta vs tors. theta energy: -264.695 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: 5 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2933.539885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.539885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.539885 (E_RNA) where: Base-Base interactions energy: -2050.282 where: short stacking energy: -908.054 Base-Backbone interact. energy: -1.674 local terms energy: -881.583700 where: bonds (distance) C4'-P energy: -159.764 bonds (distance) P-C4' energy: -157.878 flat angles C4'-P-C4' energy: -182.325 flat angles P-C4'-P energy: -110.613 tors. eta vs tors. theta energy: -271.004 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: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2777.630506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.630506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.630506 (E_RNA) where: Base-Base interactions energy: -1925.073 where: short stacking energy: -830.114 Base-Backbone interact. energy: -0.407 local terms energy: -852.150650 where: bonds (distance) C4'-P energy: -135.067 bonds (distance) P-C4' energy: -157.038 flat angles C4'-P-C4' energy: -190.993 flat angles P-C4'-P energy: -115.956 tors. eta vs tors. theta energy: -253.098 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: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2719.634533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.634533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.634533 (E_RNA) where: Base-Base interactions energy: -1875.480 where: short stacking energy: -832.703 Base-Backbone interact. energy: 2.478 local terms energy: -846.632517 where: bonds (distance) C4'-P energy: -139.369 bonds (distance) P-C4' energy: -150.608 flat angles C4'-P-C4' energy: -179.962 flat angles P-C4'-P energy: -129.258 tors. eta vs tors. theta energy: -247.435 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: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2564.280188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.280188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.280188 (E_RNA) where: Base-Base interactions energy: -1771.482 where: short stacking energy: -778.328 Base-Backbone interact. energy: 0.747 local terms energy: -793.545005 where: bonds (distance) C4'-P energy: -151.304 bonds (distance) P-C4' energy: -143.910 flat angles C4'-P-C4' energy: -169.996 flat angles P-C4'-P energy: -102.862 tors. eta vs tors. theta energy: -225.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2376.457247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.457247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.457247 (E_RNA) where: Base-Base interactions energy: -1672.821 where: short stacking energy: -735.411 Base-Backbone interact. energy: -0.660 local terms energy: -702.976512 where: bonds (distance) C4'-P energy: -103.213 bonds (distance) P-C4' energy: -140.137 flat angles C4'-P-C4' energy: -172.332 flat angles P-C4'-P energy: -82.461 tors. eta vs tors. theta energy: -204.834 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: 8, replica: 1 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1934.399803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.399803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.399803 (E_RNA) where: Base-Base interactions energy: -1296.280 where: short stacking energy: -587.146 Base-Backbone interact. energy: -2.544 local terms energy: -635.575257 where: bonds (distance) C4'-P energy: -106.562 bonds (distance) P-C4' energy: -125.696 flat angles C4'-P-C4' energy: -161.463 flat angles P-C4'-P energy: -92.858 tors. eta vs tors. theta energy: -148.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1352.928746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.928746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.928746 (E_RNA) where: Base-Base interactions energy: -842.244 where: short stacking energy: -401.069 Base-Backbone interact. energy: 3.375 local terms energy: -514.059667 where: bonds (distance) C4'-P energy: -107.078 bonds (distance) P-C4' energy: -139.232 flat angles C4'-P-C4' energy: -115.915 flat angles P-C4'-P energy: -75.593 tors. eta vs tors. theta energy: -76.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1050.983073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.983073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.983073 (E_RNA) where: Base-Base interactions energy: -580.120 where: short stacking energy: -329.625 Base-Backbone interact. energy: 0.018 local terms energy: -470.880405 where: bonds (distance) C4'-P energy: -131.713 bonds (distance) P-C4' energy: -154.596 flat angles C4'-P-C4' energy: -122.495 flat angles P-C4'-P energy: -52.783 tors. eta vs tors. theta energy: -9.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3119.684295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.684295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.684295 (E_RNA) where: Base-Base interactions energy: -2187.910 where: short stacking energy: -967.047 Base-Backbone interact. energy: -4.184 local terms energy: -927.589847 where: bonds (distance) C4'-P energy: -153.050 bonds (distance) P-C4' energy: -171.466 flat angles C4'-P-C4' energy: -196.018 flat angles P-C4'-P energy: -124.397 tors. eta vs tors. theta energy: -282.659 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: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2989.014116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.014116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.014116 (E_RNA) where: Base-Base interactions energy: -2064.158 where: short stacking energy: -955.576 Base-Backbone interact. energy: -3.726 local terms energy: -921.129543 where: bonds (distance) C4'-P energy: -155.806 bonds (distance) P-C4' energy: -147.371 flat angles C4'-P-C4' energy: -204.666 flat angles P-C4'-P energy: -129.348 tors. eta vs tors. theta energy: -283.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2913.121339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.121339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.121339 (E_RNA) where: Base-Base interactions energy: -2015.121 where: short stacking energy: -890.783 Base-Backbone interact. energy: -2.924 local terms energy: -895.076086 where: bonds (distance) C4'-P energy: -178.669 bonds (distance) P-C4' energy: -149.563 flat angles C4'-P-C4' energy: -184.147 flat angles P-C4'-P energy: -118.237 tors. eta vs tors. theta energy: -264.460 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: 2 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2840.112320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.112320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.112320 (E_RNA) where: Base-Base interactions energy: -1973.305 where: short stacking energy: -882.288 Base-Backbone interact. energy: -2.251 local terms energy: -864.555922 where: bonds (distance) C4'-P energy: -139.091 bonds (distance) P-C4' energy: -163.107 flat angles C4'-P-C4' energy: -174.627 flat angles P-C4'-P energy: -120.421 tors. eta vs tors. theta energy: -267.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2759.881782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.881782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.881782 (E_RNA) where: Base-Base interactions energy: -1919.775 where: short stacking energy: -848.669 Base-Backbone interact. energy: -2.230 local terms energy: -837.876929 where: bonds (distance) C4'-P energy: -135.073 bonds (distance) P-C4' energy: -155.957 flat angles C4'-P-C4' energy: -167.116 flat angles P-C4'-P energy: -116.273 tors. eta vs tors. theta energy: -263.457 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: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2566.442894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.442894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.442894 (E_RNA) where: Base-Base interactions energy: -1776.835 where: short stacking energy: -782.842 Base-Backbone interact. energy: -4.777 local terms energy: -784.830629 where: bonds (distance) C4'-P energy: -146.023 bonds (distance) P-C4' energy: -137.390 flat angles C4'-P-C4' energy: -159.808 flat angles P-C4'-P energy: -112.923 tors. eta vs tors. theta energy: -228.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -2345.499549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.499549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.499549 (E_RNA) where: Base-Base interactions energy: -1614.070 where: short stacking energy: -725.872 Base-Backbone interact. energy: -2.672 local terms energy: -728.757654 where: bonds (distance) C4'-P energy: -121.571 bonds (distance) P-C4' energy: -120.130 flat angles C4'-P-C4' energy: -172.443 flat angles P-C4'-P energy: -106.230 tors. eta vs tors. theta energy: -208.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -2006.822287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.822287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.822287 (E_RNA) where: Base-Base interactions energy: -1344.268 where: short stacking energy: -593.411 Base-Backbone interact. energy: 0.406 local terms energy: -662.959688 where: bonds (distance) C4'-P energy: -121.956 bonds (distance) P-C4' energy: -133.919 flat angles C4'-P-C4' energy: -146.272 flat angles P-C4'-P energy: -103.832 tors. eta vs tors. theta energy: -156.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1281.495957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.495957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.495957 (E_RNA) where: Base-Base interactions energy: -755.123 where: short stacking energy: -368.171 Base-Backbone interact. energy: 0.693 local terms energy: -527.065879 where: bonds (distance) C4'-P energy: -127.840 bonds (distance) P-C4' energy: -139.314 flat angles C4'-P-C4' energy: -143.472 flat angles P-C4'-P energy: -83.971 tors. eta vs tors. theta energy: -32.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1070.320703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.320703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.320703 (E_RNA) where: Base-Base interactions energy: -584.231 where: short stacking energy: -329.652 Base-Backbone interact. energy: 5.171 local terms energy: -491.261099 where: bonds (distance) C4'-P energy: -121.773 bonds (distance) P-C4' energy: -153.501 flat angles C4'-P-C4' energy: -122.656 flat angles P-C4'-P energy: -72.393 tors. eta vs tors. theta energy: -20.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3135.621162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.621162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.621162 (E_RNA) where: Base-Base interactions energy: -2188.677 where: short stacking energy: -948.953 Base-Backbone interact. energy: -0.365 local terms energy: -946.579530 where: bonds (distance) C4'-P energy: -171.242 bonds (distance) P-C4' energy: -185.097 flat angles C4'-P-C4' energy: -183.281 flat angles P-C4'-P energy: -127.810 tors. eta vs tors. theta energy: -279.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2968.908513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.908513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.908513 (E_RNA) where: Base-Base interactions energy: -2063.757 where: short stacking energy: -939.061 Base-Backbone interact. energy: -4.767 local terms energy: -900.384446 where: bonds (distance) C4'-P energy: -141.343 bonds (distance) P-C4' energy: -153.548 flat angles C4'-P-C4' energy: -190.931 flat angles P-C4'-P energy: -137.964 tors. eta vs tors. theta energy: -276.598 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: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2891.383515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.383515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.383515 (E_RNA) where: Base-Base interactions energy: -1985.946 where: short stacking energy: -879.211 Base-Backbone interact. energy: -1.952 local terms energy: -903.484910 where: bonds (distance) C4'-P energy: -155.476 bonds (distance) P-C4' energy: -163.329 flat angles C4'-P-C4' energy: -193.487 flat angles P-C4'-P energy: -134.626 tors. eta vs tors. theta energy: -256.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2802.972391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.972391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.972391 (E_RNA) where: Base-Base interactions energy: -1950.224 where: short stacking energy: -863.215 Base-Backbone interact. energy: -2.499 local terms energy: -850.248853 where: bonds (distance) C4'-P energy: -151.158 bonds (distance) P-C4' energy: -148.381 flat angles C4'-P-C4' energy: -197.701 flat angles P-C4'-P energy: -99.879 tors. eta vs tors. theta energy: -253.130 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: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2714.228181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.228181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.228181 (E_RNA) where: Base-Base interactions energy: -1884.994 where: short stacking energy: -864.252 Base-Backbone interact. energy: 3.084 local terms energy: -832.318111 where: bonds (distance) C4'-P energy: -145.352 bonds (distance) P-C4' energy: -142.836 flat angles C4'-P-C4' energy: -173.501 flat angles P-C4'-P energy: -117.394 tors. eta vs tors. theta energy: -253.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2520.247353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.247353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.247353 (E_RNA) where: Base-Base interactions energy: -1723.197 where: short stacking energy: -772.291 Base-Backbone interact. energy: -3.549 local terms energy: -793.500985 where: bonds (distance) C4'-P energy: -145.588 bonds (distance) P-C4' energy: -139.171 flat angles C4'-P-C4' energy: -181.650 flat angles P-C4'-P energy: -101.539 tors. eta vs tors. theta energy: -225.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -2313.020879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.020879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.020879 (E_RNA) where: Base-Base interactions energy: -1546.765 where: short stacking energy: -677.387 Base-Backbone interact. energy: -1.656 local terms energy: -764.599890 where: bonds (distance) C4'-P energy: -151.140 bonds (distance) P-C4' energy: -153.789 flat angles C4'-P-C4' energy: -148.031 flat angles P-C4'-P energy: -116.520 tors. eta vs tors. theta energy: -195.120 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: 8, replica: 1 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1989.075838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.075838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.075838 (E_RNA) where: Base-Base interactions energy: -1319.411 where: short stacking energy: -583.368 Base-Backbone interact. energy: 7.310 local terms energy: -676.974527 where: bonds (distance) C4'-P energy: -144.837 bonds (distance) P-C4' energy: -133.493 flat angles C4'-P-C4' energy: -159.690 flat angles P-C4'-P energy: -98.796 tors. eta vs tors. theta energy: -140.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1228.838344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.838344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.838344 (E_RNA) where: Base-Base interactions energy: -741.988 where: short stacking energy: -366.826 Base-Backbone interact. energy: 4.858 local terms energy: -491.708603 where: bonds (distance) C4'-P energy: -129.058 bonds (distance) P-C4' energy: -134.003 flat angles C4'-P-C4' energy: -120.235 flat angles P-C4'-P energy: -58.735 tors. eta vs tors. theta energy: -49.678 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: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1051.322880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.322880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.322880 (E_RNA) where: Base-Base interactions energy: -568.602 where: short stacking energy: -304.346 Base-Backbone interact. energy: 1.881 local terms energy: -484.601193 where: bonds (distance) C4'-P energy: -148.074 bonds (distance) P-C4' energy: -152.433 flat angles C4'-P-C4' energy: -95.177 flat angles P-C4'-P energy: -71.481 tors. eta vs tors. theta energy: -17.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3117.023836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.023836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.023836 (E_RNA) where: Base-Base interactions energy: -2195.600 where: short stacking energy: -925.899 Base-Backbone interact. energy: -1.350 local terms energy: -920.074025 where: bonds (distance) C4'-P energy: -165.463 bonds (distance) P-C4' energy: -158.302 flat angles C4'-P-C4' energy: -200.317 flat angles P-C4'-P energy: -132.614 tors. eta vs tors. theta energy: -263.378 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: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2991.086976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.086976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.086976 (E_RNA) where: Base-Base interactions energy: -2091.441 where: short stacking energy: -925.280 Base-Backbone interact. energy: -3.813 local terms energy: -895.832199 where: bonds (distance) C4'-P energy: -150.888 bonds (distance) P-C4' energy: -157.708 flat angles C4'-P-C4' energy: -193.132 flat angles P-C4'-P energy: -121.562 tors. eta vs tors. theta energy: -272.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2936.603052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.603052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.603052 (E_RNA) where: Base-Base interactions energy: -2038.520 where: short stacking energy: -898.316 Base-Backbone interact. energy: -3.280 local terms energy: -894.803644 where: bonds (distance) C4'-P energy: -154.677 bonds (distance) P-C4' energy: -156.753 flat angles C4'-P-C4' energy: -175.277 flat angles P-C4'-P energy: -131.214 tors. eta vs tors. theta energy: -276.884 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: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2762.825220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.825220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.825220 (E_RNA) where: Base-Base interactions energy: -1918.396 where: short stacking energy: -854.269 Base-Backbone interact. energy: 0.720 local terms energy: -845.149584 where: bonds (distance) C4'-P energy: -141.934 bonds (distance) P-C4' energy: -149.577 flat angles C4'-P-C4' energy: -176.684 flat angles P-C4'-P energy: -112.841 tors. eta vs tors. theta energy: -264.113 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: 2 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2716.730973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.730973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.730973 (E_RNA) where: Base-Base interactions energy: -1879.816 where: short stacking energy: -833.094 Base-Backbone interact. energy: -2.784 local terms energy: -834.131591 where: bonds (distance) C4'-P energy: -139.271 bonds (distance) P-C4' energy: -151.111 flat angles C4'-P-C4' energy: -184.733 flat angles P-C4'-P energy: -114.972 tors. eta vs tors. theta energy: -244.043 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: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2595.843860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.843860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.843860 (E_RNA) where: Base-Base interactions energy: -1774.311 where: short stacking energy: -790.514 Base-Backbone interact. energy: -3.869 local terms energy: -817.664130 where: bonds (distance) C4'-P energy: -146.091 bonds (distance) P-C4' energy: -134.720 flat angles C4'-P-C4' energy: -184.073 flat angles P-C4'-P energy: -119.426 tors. eta vs tors. theta energy: -233.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -2297.264586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.264586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.264586 (E_RNA) where: Base-Base interactions energy: -1573.074 where: short stacking energy: -680.282 Base-Backbone interact. energy: -0.467 local terms energy: -723.723324 where: bonds (distance) C4'-P energy: -120.143 bonds (distance) P-C4' energy: -135.205 flat angles C4'-P-C4' energy: -154.997 flat angles P-C4'-P energy: -113.381 tors. eta vs tors. theta energy: -199.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1906.071227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.071227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.071227 (E_RNA) where: Base-Base interactions energy: -1284.162 where: short stacking energy: -606.732 Base-Backbone interact. energy: -2.322 local terms energy: -619.587094 where: bonds (distance) C4'-P energy: -128.425 bonds (distance) P-C4' energy: -126.412 flat angles C4'-P-C4' energy: -135.877 flat angles P-C4'-P energy: -86.046 tors. eta vs tors. theta energy: -142.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1232.062130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.062130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.062130 (E_RNA) where: Base-Base interactions energy: -737.409 where: short stacking energy: -374.360 Base-Backbone interact. energy: -5.087 local terms energy: -489.565895 where: bonds (distance) C4'-P energy: -130.956 bonds (distance) P-C4' energy: -139.521 flat angles C4'-P-C4' energy: -120.894 flat angles P-C4'-P energy: -65.005 tors. eta vs tors. theta energy: -33.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1061.190892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.190892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.190892 (E_RNA) where: Base-Base interactions energy: -605.403 where: short stacking energy: -332.776 Base-Backbone interact. energy: -6.118 local terms energy: -449.669967 where: bonds (distance) C4'-P energy: -97.628 bonds (distance) P-C4' energy: -134.625 flat angles C4'-P-C4' energy: -118.968 flat angles P-C4'-P energy: -82.171 tors. eta vs tors. theta energy: -16.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3094.887381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.887381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.887381 (E_RNA) where: Base-Base interactions energy: -2166.630 where: short stacking energy: -924.326 Base-Backbone interact. energy: -5.292 local terms energy: -922.965418 where: bonds (distance) C4'-P energy: -164.631 bonds (distance) P-C4' energy: -165.475 flat angles C4'-P-C4' energy: -200.680 flat angles P-C4'-P energy: -124.903 tors. eta vs tors. theta energy: -267.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2944.444024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.444024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.444024 (E_RNA) where: Base-Base interactions energy: -2050.282 where: short stacking energy: -904.810 Base-Backbone interact. energy: -0.344 local terms energy: -893.817731 where: bonds (distance) C4'-P energy: -144.801 bonds (distance) P-C4' energy: -152.508 flat angles C4'-P-C4' energy: -202.512 flat angles P-C4'-P energy: -120.708 tors. eta vs tors. theta energy: -273.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2911.492792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.492792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.492792 (E_RNA) where: Base-Base interactions energy: -2011.246 where: short stacking energy: -904.704 Base-Backbone interact. energy: -2.334 local terms energy: -897.912269 where: bonds (distance) C4'-P energy: -141.031 bonds (distance) P-C4' energy: -163.875 flat angles C4'-P-C4' energy: -208.168 flat angles P-C4'-P energy: -117.182 tors. eta vs tors. theta energy: -267.656 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: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2784.531006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.531006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.531006 (E_RNA) where: Base-Base interactions energy: -1906.898 where: short stacking energy: -874.132 Base-Backbone interact. energy: -2.951 local terms energy: -874.681817 where: bonds (distance) C4'-P energy: -155.993 bonds (distance) P-C4' energy: -161.566 flat angles C4'-P-C4' energy: -175.775 flat angles P-C4'-P energy: -110.701 tors. eta vs tors. theta energy: -270.647 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: 198 Temperature: 1.100000 Total energy: -2746.533311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.533311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.533311 (E_RNA) where: Base-Base interactions energy: -1902.612 where: short stacking energy: -837.513 Base-Backbone interact. energy: -3.393 local terms energy: -840.528200 where: bonds (distance) C4'-P energy: -135.760 bonds (distance) P-C4' energy: -150.567 flat angles C4'-P-C4' energy: -178.038 flat angles P-C4'-P energy: -117.639 tors. eta vs tors. theta energy: -258.524 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: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2536.090229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.090229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.090229 (E_RNA) where: Base-Base interactions energy: -1767.143 where: short stacking energy: -757.220 Base-Backbone interact. energy: -3.308 local terms energy: -765.639792 where: bonds (distance) C4'-P energy: -139.693 bonds (distance) P-C4' energy: -145.559 flat angles C4'-P-C4' energy: -158.152 flat angles P-C4'-P energy: -101.132 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: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -2267.249760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.249760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.249760 (E_RNA) where: Base-Base interactions energy: -1573.670 where: short stacking energy: -730.256 Base-Backbone interact. energy: -0.162 local terms energy: -693.417391 where: bonds (distance) C4'-P energy: -112.221 bonds (distance) P-C4' energy: -134.102 flat angles C4'-P-C4' energy: -173.188 flat angles P-C4'-P energy: -92.153 tors. eta vs tors. theta energy: -181.754 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: 1 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1912.896572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.896572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.896572 (E_RNA) where: Base-Base interactions energy: -1259.690 where: short stacking energy: -582.226 Base-Backbone interact. energy: 4.161 local terms energy: -657.367637 where: bonds (distance) C4'-P energy: -150.054 bonds (distance) P-C4' energy: -132.548 flat angles C4'-P-C4' energy: -147.665 flat angles P-C4'-P energy: -86.782 tors. eta vs tors. theta energy: -140.319 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: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1179.565497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.565497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.565497 (E_RNA) where: Base-Base interactions energy: -673.873 where: short stacking energy: -331.474 Base-Backbone interact. energy: 4.212 local terms energy: -509.905322 where: bonds (distance) C4'-P energy: -133.959 bonds (distance) P-C4' energy: -140.044 flat angles C4'-P-C4' energy: -136.597 flat angles P-C4'-P energy: -72.070 tors. eta vs tors. theta energy: -27.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1103.433673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.433673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.433673 (E_RNA) where: Base-Base interactions energy: -626.695 where: short stacking energy: -311.989 Base-Backbone interact. energy: 9.286 local terms energy: -486.024748 where: bonds (distance) C4'-P energy: -133.715 bonds (distance) P-C4' energy: -132.530 flat angles C4'-P-C4' energy: -120.027 flat angles P-C4'-P energy: -78.266 tors. eta vs tors. theta energy: -21.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3113.913297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.913297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.913297 (E_RNA) where: Base-Base interactions energy: -2192.461 where: short stacking energy: -943.373 Base-Backbone interact. energy: -3.667 local terms energy: -917.786179 where: bonds (distance) C4'-P energy: -166.925 bonds (distance) P-C4' energy: -151.059 flat angles C4'-P-C4' energy: -194.214 flat angles P-C4'-P energy: -119.996 tors. eta vs tors. theta energy: -285.593 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: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2934.867065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.867065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.867065 (E_RNA) where: Base-Base interactions energy: -2013.757 where: short stacking energy: -897.199 Base-Backbone interact. energy: -1.925 local terms energy: -919.185533 where: bonds (distance) C4'-P energy: -153.546 bonds (distance) P-C4' energy: -167.605 flat angles C4'-P-C4' energy: -190.425 flat angles P-C4'-P energy: -133.594 tors. eta vs tors. theta energy: -274.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2900.501738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.501738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.501738 (E_RNA) where: Base-Base interactions energy: -2028.409 where: short stacking energy: -892.961 Base-Backbone interact. energy: -2.882 local terms energy: -869.211141 where: bonds (distance) C4'-P energy: -153.176 bonds (distance) P-C4' energy: -153.361 flat angles C4'-P-C4' energy: -174.558 flat angles P-C4'-P energy: -123.482 tors. eta vs tors. theta energy: -264.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2792.040955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.040955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.040955 (E_RNA) where: Base-Base interactions energy: -1911.054 where: short stacking energy: -876.231 Base-Backbone interact. energy: -3.818 local terms energy: -877.169604 where: bonds (distance) C4'-P energy: -145.604 bonds (distance) P-C4' energy: -161.597 flat angles C4'-P-C4' energy: -179.148 flat angles P-C4'-P energy: -126.104 tors. eta vs tors. theta energy: -264.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2694.181272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.181272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.181272 (E_RNA) where: Base-Base interactions energy: -1895.059 where: short stacking energy: -833.442 Base-Backbone interact. energy: -0.817 local terms energy: -798.305554 where: bonds (distance) C4'-P energy: -135.203 bonds (distance) P-C4' energy: -145.046 flat angles C4'-P-C4' energy: -172.623 flat angles P-C4'-P energy: -110.944 tors. eta vs tors. theta energy: -234.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2535.138364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.138364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.138364 (E_RNA) where: Base-Base interactions energy: -1766.739 where: short stacking energy: -780.021 Base-Backbone interact. energy: 2.427 local terms energy: -770.825924 where: bonds (distance) C4'-P energy: -122.892 bonds (distance) P-C4' energy: -141.572 flat angles C4'-P-C4' energy: -164.175 flat angles P-C4'-P energy: -119.133 tors. eta vs tors. theta energy: -223.054 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2291.851546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.851546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.851546 (E_RNA) where: Base-Base interactions energy: -1543.457 where: short stacking energy: -697.389 Base-Backbone interact. energy: 0.373 local terms energy: -748.767368 where: bonds (distance) C4'-P energy: -127.045 bonds (distance) P-C4' energy: -159.029 flat angles C4'-P-C4' energy: -161.057 flat angles P-C4'-P energy: -110.485 tors. eta vs tors. theta energy: -191.151 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: 1 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1865.299810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.299810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.299810 (E_RNA) where: Base-Base interactions energy: -1210.029 where: short stacking energy: -555.381 Base-Backbone interact. energy: -0.243 local terms energy: -655.028297 where: bonds (distance) C4'-P energy: -132.807 bonds (distance) P-C4' energy: -140.817 flat angles C4'-P-C4' energy: -132.613 flat angles P-C4'-P energy: -109.544 tors. eta vs tors. theta energy: -139.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1134.954672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.954672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.954672 (E_RNA) where: Base-Base interactions energy: -642.250 where: short stacking energy: -356.604 Base-Backbone interact. energy: -5.752 local terms energy: -486.952806 where: bonds (distance) C4'-P energy: -148.804 bonds (distance) P-C4' energy: -131.591 flat angles C4'-P-C4' energy: -124.806 flat angles P-C4'-P energy: -45.974 tors. eta vs tors. theta energy: -35.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1115.682232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.682232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.682232 (E_RNA) where: Base-Base interactions energy: -668.690 where: short stacking energy: -349.686 Base-Backbone interact. energy: 4.815 local terms energy: -451.806814 where: bonds (distance) C4'-P energy: -98.404 bonds (distance) P-C4' energy: -130.911 flat angles C4'-P-C4' energy: -113.705 flat angles P-C4'-P energy: -55.317 tors. eta vs tors. theta energy: -53.469 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: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -3125.198601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.198601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.198601 (E_RNA) where: Base-Base interactions energy: -2176.740 where: short stacking energy: -921.889 Base-Backbone interact. energy: -0.131 local terms energy: -948.327662 where: bonds (distance) C4'-P energy: -157.444 bonds (distance) P-C4' energy: -168.659 flat angles C4'-P-C4' energy: -198.246 flat angles P-C4'-P energy: -138.161 tors. eta vs tors. theta energy: -285.819 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: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2969.396190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.396190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.396190 (E_RNA) where: Base-Base interactions energy: -2070.494 where: short stacking energy: -920.423 Base-Backbone interact. energy: -4.147 local terms energy: -894.755397 where: bonds (distance) C4'-P energy: -168.053 bonds (distance) P-C4' energy: -162.391 flat angles C4'-P-C4' energy: -182.432 flat angles P-C4'-P energy: -113.452 tors. eta vs tors. theta energy: -268.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2903.537448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.537448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.537448 (E_RNA) where: Base-Base interactions energy: -2029.991 where: short stacking energy: -909.413 Base-Backbone interact. energy: 4.550 local terms energy: -878.096325 where: bonds (distance) C4'-P energy: -144.853 bonds (distance) P-C4' energy: -159.077 flat angles C4'-P-C4' energy: -174.774 flat angles P-C4'-P energy: -128.723 tors. eta vs tors. theta energy: -270.669 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: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2767.353646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.353646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.353646 (E_RNA) where: Base-Base interactions energy: -1919.122 where: short stacking energy: -863.871 Base-Backbone interact. energy: -2.127 local terms energy: -846.105433 where: bonds (distance) C4'-P energy: -159.349 bonds (distance) P-C4' energy: -152.511 flat angles C4'-P-C4' energy: -179.689 flat angles P-C4'-P energy: -104.837 tors. eta vs tors. theta energy: -249.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2716.995457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.995457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.995457 (E_RNA) where: Base-Base interactions energy: -1861.633 where: short stacking energy: -831.101 Base-Backbone interact. energy: -3.043 local terms energy: -852.319754 where: bonds (distance) C4'-P energy: -134.648 bonds (distance) P-C4' energy: -144.948 flat angles C4'-P-C4' energy: -197.388 flat angles P-C4'-P energy: -130.112 tors. eta vs tors. theta energy: -245.224 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: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2575.889781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.889781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.889781 (E_RNA) where: Base-Base interactions energy: -1800.402 where: short stacking energy: -772.362 Base-Backbone interact. energy: 9.109 local terms energy: -784.597100 where: bonds (distance) C4'-P energy: -150.814 bonds (distance) P-C4' energy: -124.329 flat angles C4'-P-C4' energy: -175.623 flat angles P-C4'-P energy: -107.415 tors. eta vs tors. theta energy: -226.417 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: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -2295.295459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.295459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.295459 (E_RNA) where: Base-Base interactions energy: -1554.449 where: short stacking energy: -698.295 Base-Backbone interact. energy: -3.092 local terms energy: -737.754204 where: bonds (distance) C4'-P energy: -139.262 bonds (distance) P-C4' energy: -128.797 flat angles C4'-P-C4' energy: -166.824 flat angles P-C4'-P energy: -109.982 tors. eta vs tors. theta energy: -192.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1878.255980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.255980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.255980 (E_RNA) where: Base-Base interactions energy: -1190.617 where: short stacking energy: -525.386 Base-Backbone interact. energy: -3.060 local terms energy: -684.579082 where: bonds (distance) C4'-P energy: -144.234 bonds (distance) P-C4' energy: -154.960 flat angles C4'-P-C4' energy: -153.275 flat angles P-C4'-P energy: -88.382 tors. eta vs tors. theta energy: -143.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1126.436005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.436005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.436005 (E_RNA) where: Base-Base interactions energy: -598.301 where: short stacking energy: -345.348 Base-Backbone interact. energy: 2.516 local terms energy: -530.650563 where: bonds (distance) C4'-P energy: -130.713 bonds (distance) P-C4' energy: -147.113 flat angles C4'-P-C4' energy: -118.440 flat angles P-C4'-P energy: -85.888 tors. eta vs tors. theta energy: -48.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1089.892846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.892846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.892846 (E_RNA) where: Base-Base interactions energy: -621.062 where: short stacking energy: -313.838 Base-Backbone interact. energy: -3.759 local terms energy: -465.071308 where: bonds (distance) C4'-P energy: -121.682 bonds (distance) P-C4' energy: -132.814 flat angles C4'-P-C4' energy: -126.067 flat angles P-C4'-P energy: -52.302 tors. eta vs tors. theta energy: -32.206 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: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3126.364067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.364067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.364067 (E_RNA) where: Base-Base interactions energy: -2164.650 where: short stacking energy: -927.775 Base-Backbone interact. energy: -3.311 local terms energy: -958.403858 where: bonds (distance) C4'-P energy: -180.141 bonds (distance) P-C4' energy: -180.334 flat angles C4'-P-C4' energy: -197.130 flat angles P-C4'-P energy: -130.192 tors. eta vs tors. theta energy: -270.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2963.357639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.357639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.357639 (E_RNA) where: Base-Base interactions energy: -2062.607 where: short stacking energy: -924.708 Base-Backbone interact. energy: -3.372 local terms energy: -897.377774 where: bonds (distance) C4'-P energy: -152.602 bonds (distance) P-C4' energy: -155.995 flat angles C4'-P-C4' energy: -194.215 flat angles P-C4'-P energy: -123.447 tors. eta vs tors. theta energy: -271.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2897.988397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.988397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.988397 (E_RNA) where: Base-Base interactions energy: -2017.104 where: short stacking energy: -910.787 Base-Backbone interact. energy: -3.037 local terms energy: -877.847219 where: bonds (distance) C4'-P energy: -135.234 bonds (distance) P-C4' energy: -162.078 flat angles C4'-P-C4' energy: -191.194 flat angles P-C4'-P energy: -133.623 tors. eta vs tors. theta energy: -255.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2754.399905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.399905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.399905 (E_RNA) where: Base-Base interactions energy: -1916.829 where: short stacking energy: -865.069 Base-Backbone interact. energy: -2.982 local terms energy: -834.588790 where: bonds (distance) C4'-P energy: -126.252 bonds (distance) P-C4' energy: -151.514 flat angles C4'-P-C4' energy: -182.365 flat angles P-C4'-P energy: -125.054 tors. eta vs tors. theta energy: -249.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2696.384785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.384785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.384785 (E_RNA) where: Base-Base interactions energy: -1883.774 where: short stacking energy: -844.231 Base-Backbone interact. energy: -3.141 local terms energy: -809.469502 where: bonds (distance) C4'-P energy: -144.436 bonds (distance) P-C4' energy: -137.840 flat angles C4'-P-C4' energy: -170.004 flat angles P-C4'-P energy: -121.027 tors. eta vs tors. theta energy: -236.163 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: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2500.863555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.863555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.863555 (E_RNA) where: Base-Base interactions energy: -1759.698 where: short stacking energy: -749.766 Base-Backbone interact. energy: 4.117 local terms energy: -745.282718 where: bonds (distance) C4'-P energy: -132.702 bonds (distance) P-C4' energy: -144.744 flat angles C4'-P-C4' energy: -155.155 flat angles P-C4'-P energy: -107.204 tors. eta vs tors. theta energy: -205.477 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: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -2275.408021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.408021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.408021 (E_RNA) where: Base-Base interactions energy: -1563.237 where: short stacking energy: -707.903 Base-Backbone interact. energy: -5.707 local terms energy: -706.463435 where: bonds (distance) C4'-P energy: -117.508 bonds (distance) P-C4' energy: -135.859 flat angles C4'-P-C4' energy: -163.185 flat angles P-C4'-P energy: -94.393 tors. eta vs tors. theta energy: -195.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1886.780505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.780505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.780505 (E_RNA) where: Base-Base interactions energy: -1216.428 where: short stacking energy: -551.778 Base-Backbone interact. energy: -4.461 local terms energy: -665.891579 where: bonds (distance) C4'-P energy: -119.371 bonds (distance) P-C4' energy: -145.698 flat angles C4'-P-C4' energy: -161.922 flat angles P-C4'-P energy: -90.415 tors. eta vs tors. theta energy: -148.485 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: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1210.477198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.477198 (E_RNA) where: Base-Base interactions energy: -730.873 where: short stacking energy: -376.022 Base-Backbone interact. energy: 3.325 local terms energy: -482.928892 where: bonds (distance) C4'-P energy: -123.465 bonds (distance) P-C4' energy: -139.406 flat angles C4'-P-C4' energy: -106.875 flat angles P-C4'-P energy: -82.315 tors. eta vs tors. theta energy: -30.868 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: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1036.359522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.359522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.359522 (E_RNA) where: Base-Base interactions energy: -583.820 where: short stacking energy: -291.088 Base-Backbone interact. energy: 2.470 local terms energy: -455.009656 where: bonds (distance) C4'-P energy: -139.218 bonds (distance) P-C4' energy: -131.306 flat angles C4'-P-C4' energy: -120.548 flat angles P-C4'-P energy: -63.763 tors. eta vs tors. theta energy: -0.174 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: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3118.887771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.887771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.887771 (E_RNA) where: Base-Base interactions energy: -2156.552 where: short stacking energy: -939.899 Base-Backbone interact. energy: -4.672 local terms energy: -957.663226 where: bonds (distance) C4'-P energy: -174.235 bonds (distance) P-C4' energy: -176.747 flat angles C4'-P-C4' energy: -189.436 flat angles P-C4'-P energy: -136.159 tors. eta vs tors. theta energy: -281.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2948.567306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.567306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.567306 (E_RNA) where: Base-Base interactions energy: -2032.856 where: short stacking energy: -883.719 Base-Backbone interact. energy: -2.122 local terms energy: -913.589145 where: bonds (distance) C4'-P energy: -168.804 bonds (distance) P-C4' energy: -149.927 flat angles C4'-P-C4' energy: -188.388 flat angles P-C4'-P energy: -135.976 tors. eta vs tors. theta energy: -270.495 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: 5 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2929.296656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.296656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.296656 (E_RNA) where: Base-Base interactions energy: -2041.790 where: short stacking energy: -896.104 Base-Backbone interact. energy: -2.108 local terms energy: -885.397933 where: bonds (distance) C4'-P energy: -152.884 bonds (distance) P-C4' energy: -132.256 flat angles C4'-P-C4' energy: -191.308 flat angles P-C4'-P energy: -128.860 tors. eta vs tors. theta energy: -280.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2781.816526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.816526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.816526 (E_RNA) where: Base-Base interactions energy: -1901.265 where: short stacking energy: -844.997 Base-Backbone interact. energy: -1.235 local terms energy: -879.316545 where: bonds (distance) C4'-P energy: -163.273 bonds (distance) P-C4' energy: -148.948 flat angles C4'-P-C4' energy: -185.438 flat angles P-C4'-P energy: -128.037 tors. eta vs tors. theta energy: -253.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2704.575407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.575407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.575407 (E_RNA) where: Base-Base interactions energy: -1837.521 where: short stacking energy: -870.028 Base-Backbone interact. energy: 3.149 local terms energy: -870.203383 where: bonds (distance) C4'-P energy: -150.703 bonds (distance) P-C4' energy: -159.274 flat angles C4'-P-C4' energy: -183.160 flat angles P-C4'-P energy: -115.506 tors. eta vs tors. theta energy: -261.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2517.283948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.283948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.283948 (E_RNA) where: Base-Base interactions energy: -1772.491 where: short stacking energy: -759.454 Base-Backbone interact. energy: -1.590 local terms energy: -743.202363 where: bonds (distance) C4'-P energy: -122.001 bonds (distance) P-C4' energy: -154.684 flat angles C4'-P-C4' energy: -164.638 flat angles P-C4'-P energy: -88.612 tors. eta vs tors. theta energy: -213.267 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: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2232.012704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.012704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.012704 (E_RNA) where: Base-Base interactions energy: -1514.291 where: short stacking energy: -698.092 Base-Backbone interact. energy: -3.929 local terms energy: -713.793043 where: bonds (distance) C4'-P energy: -128.796 bonds (distance) P-C4' energy: -145.485 flat angles C4'-P-C4' energy: -145.948 flat angles P-C4'-P energy: -116.192 tors. eta vs tors. theta energy: -177.372 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: 1 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1931.377111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.377111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.377111 (E_RNA) where: Base-Base interactions energy: -1270.656 where: short stacking energy: -601.607 Base-Backbone interact. energy: -1.122 local terms energy: -659.598897 where: bonds (distance) C4'-P energy: -117.882 bonds (distance) P-C4' energy: -141.960 flat angles C4'-P-C4' energy: -148.785 flat angles P-C4'-P energy: -97.458 tors. eta vs tors. theta energy: -153.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1208.616133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.616133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.616133 (E_RNA) where: Base-Base interactions energy: -729.483 where: short stacking energy: -350.606 Base-Backbone interact. energy: 9.378 local terms energy: -488.510494 where: bonds (distance) C4'-P energy: -128.853 bonds (distance) P-C4' energy: -135.080 flat angles C4'-P-C4' energy: -115.742 flat angles P-C4'-P energy: -71.734 tors. eta vs tors. theta energy: -37.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -974.275967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.275967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.275967 (E_RNA) where: Base-Base interactions energy: -521.833 where: short stacking energy: -285.768 Base-Backbone interact. energy: 7.143 local terms energy: -459.586434 where: bonds (distance) C4'-P energy: -141.167 bonds (distance) P-C4' energy: -126.920 flat angles C4'-P-C4' energy: -109.532 flat angles P-C4'-P energy: -81.826 tors. eta vs tors. theta energy: -0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3104.682636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.682636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.682636 (E_RNA) where: Base-Base interactions energy: -2158.116 where: short stacking energy: -939.443 Base-Backbone interact. energy: -3.438 local terms energy: -943.129241 where: bonds (distance) C4'-P energy: -166.886 bonds (distance) P-C4' energy: -155.618 flat angles C4'-P-C4' energy: -198.579 flat angles P-C4'-P energy: -142.413 tors. eta vs tors. theta energy: -279.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2966.338942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.338942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.338942 (E_RNA) where: Base-Base interactions energy: -2046.594 where: short stacking energy: -912.709 Base-Backbone interact. energy: -1.277 local terms energy: -918.467131 where: bonds (distance) C4'-P energy: -167.686 bonds (distance) P-C4' energy: -169.635 flat angles C4'-P-C4' energy: -181.237 flat angles P-C4'-P energy: -134.147 tors. eta vs tors. theta energy: -265.762 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: 5 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2905.095853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.095853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.095853 (E_RNA) where: Base-Base interactions energy: -2020.806 where: short stacking energy: -916.588 Base-Backbone interact. energy: -3.391 local terms energy: -880.898507 where: bonds (distance) C4'-P energy: -148.561 bonds (distance) P-C4' energy: -146.285 flat angles C4'-P-C4' energy: -194.035 flat angles P-C4'-P energy: -126.260 tors. eta vs tors. theta energy: -265.757 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: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2768.051702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.051702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.051702 (E_RNA) where: Base-Base interactions energy: -1941.863 where: short stacking energy: -874.329 Base-Backbone interact. energy: -3.939 local terms energy: -822.249715 where: bonds (distance) C4'-P energy: -142.562 bonds (distance) P-C4' energy: -150.998 flat angles C4'-P-C4' energy: -175.166 flat angles P-C4'-P energy: -100.613 tors. eta vs tors. theta energy: -252.911 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: 203 Temperature: 1.100000 Total energy: -2691.857750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.857750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.857750 (E_RNA) where: Base-Base interactions energy: -1838.060 where: short stacking energy: -816.546 Base-Backbone interact. energy: -2.462 local terms energy: -851.335511 where: bonds (distance) C4'-P energy: -142.679 bonds (distance) P-C4' energy: -158.698 flat angles C4'-P-C4' energy: -179.396 flat angles P-C4'-P energy: -122.854 tors. eta vs tors. theta energy: -247.709 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: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2572.107463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.107463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.107463 (E_RNA) where: Base-Base interactions energy: -1793.075 where: short stacking energy: -744.996 Base-Backbone interact. energy: -2.783 local terms energy: -776.249267 where: bonds (distance) C4'-P energy: -138.071 bonds (distance) P-C4' energy: -156.148 flat angles C4'-P-C4' energy: -167.702 flat angles P-C4'-P energy: -99.766 tors. eta vs tors. theta energy: -214.562 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: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -2205.010689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.010689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.010689 (E_RNA) where: Base-Base interactions energy: -1497.139 where: short stacking energy: -677.805 Base-Backbone interact. energy: -2.767 local terms energy: -705.104931 where: bonds (distance) C4'-P energy: -118.338 bonds (distance) P-C4' energy: -131.376 flat angles C4'-P-C4' energy: -160.253 flat angles P-C4'-P energy: -118.651 tors. eta vs tors. theta energy: -176.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1900.715077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.715077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.715077 (E_RNA) where: Base-Base interactions energy: -1259.729 where: short stacking energy: -606.004 Base-Backbone interact. energy: -0.315 local terms energy: -640.671539 where: bonds (distance) C4'-P energy: -120.889 bonds (distance) P-C4' energy: -143.455 flat angles C4'-P-C4' energy: -140.965 flat angles P-C4'-P energy: -94.497 tors. eta vs tors. theta energy: -140.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1259.158389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.158389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.158389 (E_RNA) where: Base-Base interactions energy: -734.753 where: short stacking energy: -358.998 Base-Backbone interact. energy: 4.973 local terms energy: -529.378632 where: bonds (distance) C4'-P energy: -137.351 bonds (distance) P-C4' energy: -134.084 flat angles C4'-P-C4' energy: -120.448 flat angles P-C4'-P energy: -92.295 tors. eta vs tors. theta energy: -45.201 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: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -970.744892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.744892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.744892 (E_RNA) where: Base-Base interactions energy: -480.763 where: short stacking energy: -246.116 Base-Backbone interact. energy: 3.974 local terms energy: -493.955834 where: bonds (distance) C4'-P energy: -132.973 bonds (distance) P-C4' energy: -146.572 flat angles C4'-P-C4' energy: -134.315 flat angles P-C4'-P energy: -85.525 tors. eta vs tors. theta energy: 5.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -3144.941518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.941518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.941518 (E_RNA) where: Base-Base interactions energy: -2201.643 where: short stacking energy: -954.058 Base-Backbone interact. energy: -2.782 local terms energy: -940.516032 where: bonds (distance) C4'-P energy: -166.650 bonds (distance) P-C4' energy: -177.370 flat angles C4'-P-C4' energy: -186.568 flat angles P-C4'-P energy: -126.125 tors. eta vs tors. theta energy: -283.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2934.710158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.710158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.710158 (E_RNA) where: Base-Base interactions energy: -2017.605 where: short stacking energy: -911.972 Base-Backbone interact. energy: -2.668 local terms energy: -914.436338 where: bonds (distance) C4'-P energy: -161.949 bonds (distance) P-C4' energy: -156.139 flat angles C4'-P-C4' energy: -192.119 flat angles P-C4'-P energy: -123.480 tors. eta vs tors. theta energy: -280.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2896.112935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.112935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.112935 (E_RNA) where: Base-Base interactions energy: -1997.478 where: short stacking energy: -889.262 Base-Backbone interact. energy: -4.663 local terms energy: -893.971426 where: bonds (distance) C4'-P energy: -167.728 bonds (distance) P-C4' energy: -154.413 flat angles C4'-P-C4' energy: -187.067 flat angles P-C4'-P energy: -127.472 tors. eta vs tors. theta energy: -257.291 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: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2809.084518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.084518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.084518 (E_RNA) where: Base-Base interactions energy: -1931.046 where: short stacking energy: -876.460 Base-Backbone interact. energy: 0.385 local terms energy: -878.423452 where: bonds (distance) C4'-P energy: -140.405 bonds (distance) P-C4' energy: -164.109 flat angles C4'-P-C4' energy: -185.903 flat angles P-C4'-P energy: -120.700 tors. eta vs tors. theta energy: -267.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2703.664458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.664458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.664458 (E_RNA) where: Base-Base interactions energy: -1862.348 where: short stacking energy: -791.247 Base-Backbone interact. energy: -4.105 local terms energy: -837.211392 where: bonds (distance) C4'-P energy: -152.822 bonds (distance) P-C4' energy: -146.563 flat angles C4'-P-C4' energy: -177.780 flat angles P-C4'-P energy: -123.372 tors. eta vs tors. theta energy: -236.674 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: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2593.627029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.627029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.627029 (E_RNA) where: Base-Base interactions energy: -1804.443 where: short stacking energy: -782.791 Base-Backbone interact. energy: -1.369 local terms energy: -787.814289 where: bonds (distance) C4'-P energy: -142.641 bonds (distance) P-C4' energy: -144.141 flat angles C4'-P-C4' energy: -170.848 flat angles P-C4'-P energy: -105.639 tors. eta vs tors. theta energy: -224.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -2226.006750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.006750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.006750 (E_RNA) where: Base-Base interactions energy: -1497.528 where: short stacking energy: -683.065 Base-Backbone interact. energy: -2.223 local terms energy: -726.255424 where: bonds (distance) C4'-P energy: -140.086 bonds (distance) P-C4' energy: -141.548 flat angles C4'-P-C4' energy: -156.596 flat angles P-C4'-P energy: -110.194 tors. eta vs tors. theta energy: -177.832 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: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1873.867792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.867792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.867792 (E_RNA) where: Base-Base interactions energy: -1225.755 where: short stacking energy: -567.630 Base-Backbone interact. energy: -2.858 local terms energy: -645.254804 where: bonds (distance) C4'-P energy: -149.670 bonds (distance) P-C4' energy: -133.150 flat angles C4'-P-C4' energy: -148.247 flat angles P-C4'-P energy: -90.488 tors. eta vs tors. theta energy: -123.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1287.253569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.253569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.253569 (E_RNA) where: Base-Base interactions energy: -769.043 where: short stacking energy: -362.861 Base-Backbone interact. energy: 4.088 local terms energy: -522.298403 where: bonds (distance) C4'-P energy: -148.074 bonds (distance) P-C4' energy: -131.473 flat angles C4'-P-C4' energy: -128.689 flat angles P-C4'-P energy: -74.026 tors. eta vs tors. theta energy: -40.036 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: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -891.882573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.882573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.882573 (E_RNA) where: Base-Base interactions energy: -424.140 where: short stacking energy: -223.612 Base-Backbone interact. energy: 0.662 local terms energy: -468.404033 where: bonds (distance) C4'-P energy: -131.023 bonds (distance) P-C4' energy: -153.224 flat angles C4'-P-C4' energy: -132.997 flat angles P-C4'-P energy: -67.998 tors. eta vs tors. theta energy: 16.838 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: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3143.380728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.380728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.380728 (E_RNA) where: Base-Base interactions energy: -2191.037 where: short stacking energy: -943.928 Base-Backbone interact. energy: -2.773 local terms energy: -949.571650 where: bonds (distance) C4'-P energy: -169.804 bonds (distance) P-C4' energy: -183.516 flat angles C4'-P-C4' energy: -180.537 flat angles P-C4'-P energy: -136.845 tors. eta vs tors. theta energy: -278.869 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: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2953.271222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.271222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.271222 (E_RNA) where: Base-Base interactions energy: -2054.607 where: short stacking energy: -904.104 Base-Backbone interact. energy: -2.567 local terms energy: -896.097934 where: bonds (distance) C4'-P energy: -151.105 bonds (distance) P-C4' energy: -167.384 flat angles C4'-P-C4' energy: -189.744 flat angles P-C4'-P energy: -128.367 tors. eta vs tors. theta energy: -259.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2888.080058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.080058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.080058 (E_RNA) where: Base-Base interactions energy: -2006.010 where: short stacking energy: -893.776 Base-Backbone interact. energy: -2.372 local terms energy: -879.698300 where: bonds (distance) C4'-P energy: -156.407 bonds (distance) P-C4' energy: -151.017 flat angles C4'-P-C4' energy: -182.979 flat angles P-C4'-P energy: -129.479 tors. eta vs tors. theta energy: -259.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2763.205260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.205260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.205260 (E_RNA) where: Base-Base interactions energy: -1954.972 where: short stacking energy: -856.250 Base-Backbone interact. energy: -1.646 local terms energy: -806.587193 where: bonds (distance) C4'-P energy: -136.049 bonds (distance) P-C4' energy: -152.710 flat angles C4'-P-C4' energy: -178.703 flat angles P-C4'-P energy: -106.162 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: 5, replica: 7 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2652.890532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.890532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.890532 (E_RNA) where: Base-Base interactions energy: -1855.933 where: short stacking energy: -786.166 Base-Backbone interact. energy: -4.736 local terms energy: -792.221337 where: bonds (distance) C4'-P energy: -143.122 bonds (distance) P-C4' energy: -139.687 flat angles C4'-P-C4' energy: -172.726 flat angles P-C4'-P energy: -109.077 tors. eta vs tors. theta energy: -227.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2590.989541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.989541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.989541 (E_RNA) where: Base-Base interactions energy: -1800.828 where: short stacking energy: -785.434 Base-Backbone interact. energy: 0.824 local terms energy: -790.985557 where: bonds (distance) C4'-P energy: -137.199 bonds (distance) P-C4' energy: -153.512 flat angles C4'-P-C4' energy: -150.865 flat angles P-C4'-P energy: -103.855 tors. eta vs tors. theta energy: -245.554 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: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -2247.920242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.920242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.920242 (E_RNA) where: Base-Base interactions energy: -1512.929 where: short stacking energy: -668.947 Base-Backbone interact. energy: 0.628 local terms energy: -735.619167 where: bonds (distance) C4'-P energy: -142.850 bonds (distance) P-C4' energy: -142.451 flat angles C4'-P-C4' energy: -152.964 flat angles P-C4'-P energy: -114.298 tors. eta vs tors. theta energy: -183.057 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: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1908.715212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.715212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.715212 (E_RNA) where: Base-Base interactions energy: -1271.513 where: short stacking energy: -576.704 Base-Backbone interact. energy: 0.113 local terms energy: -637.315157 where: bonds (distance) C4'-P energy: -133.540 bonds (distance) P-C4' energy: -145.062 flat angles C4'-P-C4' energy: -132.008 flat angles P-C4'-P energy: -89.618 tors. eta vs tors. theta energy: -137.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1170.534524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.534524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.534524 (E_RNA) where: Base-Base interactions energy: -694.049 where: short stacking energy: -346.738 Base-Backbone interact. energy: -2.030 local terms energy: -474.454703 where: bonds (distance) C4'-P energy: -129.052 bonds (distance) P-C4' energy: -135.181 flat angles C4'-P-C4' energy: -110.079 flat angles P-C4'-P energy: -73.020 tors. eta vs tors. theta energy: -27.122 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: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -874.531598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.531598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.531598 (E_RNA) where: Base-Base interactions energy: -431.052 where: short stacking energy: -247.300 Base-Backbone interact. energy: -3.899 local terms energy: -439.580296 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -116.147 flat angles C4'-P-C4' energy: -124.459 flat angles P-C4'-P energy: -66.298 tors. eta vs tors. theta energy: 5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3120.477978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.477978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.477978 (E_RNA) where: Base-Base interactions energy: -2203.039 where: short stacking energy: -923.529 Base-Backbone interact. energy: -5.354 local terms energy: -912.085632 where: bonds (distance) C4'-P energy: -159.969 bonds (distance) P-C4' energy: -161.600 flat angles C4'-P-C4' energy: -198.794 flat angles P-C4'-P energy: -128.608 tors. eta vs tors. theta energy: -263.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2921.988659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.988659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.988659 (E_RNA) where: Base-Base interactions energy: -2003.511 where: short stacking energy: -911.556 Base-Backbone interact. energy: -3.021 local terms energy: -915.456649 where: bonds (distance) C4'-P energy: -154.564 bonds (distance) P-C4' energy: -168.739 flat angles C4'-P-C4' energy: -193.931 flat angles P-C4'-P energy: -131.216 tors. eta vs tors. theta energy: -267.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2864.150895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.150895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.150895 (E_RNA) where: Base-Base interactions energy: -1975.175 where: short stacking energy: -897.818 Base-Backbone interact. energy: -4.032 local terms energy: -884.944675 where: bonds (distance) C4'-P energy: -166.791 bonds (distance) P-C4' energy: -153.771 flat angles C4'-P-C4' energy: -186.849 flat angles P-C4'-P energy: -112.571 tors. eta vs tors. theta energy: -264.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2855.286861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.286861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.286861 (E_RNA) where: Base-Base interactions energy: -1976.207 where: short stacking energy: -881.637 Base-Backbone interact. energy: -3.736 local terms energy: -875.344432 where: bonds (distance) C4'-P energy: -144.909 bonds (distance) P-C4' energy: -147.107 flat angles C4'-P-C4' energy: -186.840 flat angles P-C4'-P energy: -131.983 tors. eta vs tors. theta energy: -264.504 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: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2651.347602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.347602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.347602 (E_RNA) where: Base-Base interactions energy: -1805.426 where: short stacking energy: -794.159 Base-Backbone interact. energy: -3.317 local terms energy: -842.603711 where: bonds (distance) C4'-P energy: -138.475 bonds (distance) P-C4' energy: -152.294 flat angles C4'-P-C4' energy: -196.164 flat angles P-C4'-P energy: -124.317 tors. eta vs tors. theta energy: -231.354 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: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2626.013702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.013702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.013702 (E_RNA) where: Base-Base interactions energy: -1814.155 where: short stacking energy: -781.657 Base-Backbone interact. energy: -2.292 local terms energy: -809.566704 where: bonds (distance) C4'-P energy: -138.981 bonds (distance) P-C4' energy: -155.254 flat angles C4'-P-C4' energy: -163.280 flat angles P-C4'-P energy: -106.342 tors. eta vs tors. theta energy: -245.709 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: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -2197.534828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.534828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.534828 (E_RNA) where: Base-Base interactions energy: -1491.144 where: short stacking energy: -660.902 Base-Backbone interact. energy: -4.099 local terms energy: -702.291855 where: bonds (distance) C4'-P energy: -137.462 bonds (distance) P-C4' energy: -162.522 flat angles C4'-P-C4' energy: -158.987 flat angles P-C4'-P energy: -92.960 tors. eta vs tors. theta energy: -150.362 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: 206 Temperature: 1.250000 Total energy: -2040.946482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.946482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.946482 (E_RNA) where: Base-Base interactions energy: -1408.608 where: short stacking energy: -637.035 Base-Backbone interact. energy: -2.350 local terms energy: -629.989094 where: bonds (distance) C4'-P energy: -119.561 bonds (distance) P-C4' energy: -140.865 flat angles C4'-P-C4' energy: -144.432 flat angles P-C4'-P energy: -71.323 tors. eta vs tors. theta energy: -153.808 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: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1167.820093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.820093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.820093 (E_RNA) where: Base-Base interactions energy: -701.960 where: short stacking energy: -362.741 Base-Backbone interact. energy: 0.561 local terms energy: -466.420753 where: bonds (distance) C4'-P energy: -137.024 bonds (distance) P-C4' energy: -128.759 flat angles C4'-P-C4' energy: -105.976 flat angles P-C4'-P energy: -72.234 tors. eta vs tors. theta energy: -22.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -895.763443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.763443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.763443 (E_RNA) where: Base-Base interactions energy: -441.313 where: short stacking energy: -262.515 Base-Backbone interact. energy: 1.937 local terms energy: -456.387312 where: bonds (distance) C4'-P energy: -136.782 bonds (distance) P-C4' energy: -134.551 flat angles C4'-P-C4' energy: -120.650 flat angles P-C4'-P energy: -57.067 tors. eta vs tors. theta energy: -7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3077.166250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.166250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.166250 (E_RNA) where: Base-Base interactions energy: -2159.798 where: short stacking energy: -923.548 Base-Backbone interact. energy: -2.173 local terms energy: -915.195453 where: bonds (distance) C4'-P energy: -166.291 bonds (distance) P-C4' energy: -170.217 flat angles C4'-P-C4' energy: -190.546 flat angles P-C4'-P energy: -121.267 tors. eta vs tors. theta energy: -266.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2924.855086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.855086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.855086 (E_RNA) where: Base-Base interactions energy: -2003.069 where: short stacking energy: -877.317 Base-Backbone interact. energy: -3.850 local terms energy: -917.936677 where: bonds (distance) C4'-P energy: -163.306 bonds (distance) P-C4' energy: -158.104 flat angles C4'-P-C4' energy: -199.300 flat angles P-C4'-P energy: -120.816 tors. eta vs tors. theta energy: -276.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2830.266524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.266524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.266524 (E_RNA) where: Base-Base interactions energy: -1969.689 where: short stacking energy: -886.216 Base-Backbone interact. energy: -2.717 local terms energy: -857.860270 where: bonds (distance) C4'-P energy: -148.158 bonds (distance) P-C4' energy: -148.306 flat angles C4'-P-C4' energy: -189.490 flat angles P-C4'-P energy: -120.384 tors. eta vs tors. theta energy: -251.522 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: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2823.644602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.644602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.644602 (E_RNA) where: Base-Base interactions energy: -1983.004 where: short stacking energy: -895.033 Base-Backbone interact. energy: -4.435 local terms energy: -836.205093 where: bonds (distance) C4'-P energy: -137.106 bonds (distance) P-C4' energy: -142.662 flat angles C4'-P-C4' energy: -181.082 flat angles P-C4'-P energy: -109.266 tors. eta vs tors. theta energy: -266.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2654.258365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.258365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.258365 (E_RNA) where: Base-Base interactions energy: -1826.382 where: short stacking energy: -826.607 Base-Backbone interact. energy: -0.603 local terms energy: -827.273100 where: bonds (distance) C4'-P energy: -155.691 bonds (distance) P-C4' energy: -151.319 flat angles C4'-P-C4' energy: -163.866 flat angles P-C4'-P energy: -120.347 tors. eta vs tors. theta energy: -236.050 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: 207 Temperature: 1.150000 Total energy: -2591.254947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.254947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.254947 (E_RNA) where: Base-Base interactions energy: -1777.587 where: short stacking energy: -803.812 Base-Backbone interact. energy: 0.511 local terms energy: -814.179410 where: bonds (distance) C4'-P energy: -147.416 bonds (distance) P-C4' energy: -152.440 flat angles C4'-P-C4' energy: -175.095 flat angles P-C4'-P energy: -107.640 tors. eta vs tors. theta energy: -231.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -2136.324497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.324497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.324497 (E_RNA) where: Base-Base interactions energy: -1463.833 where: short stacking energy: -659.523 Base-Backbone interact. energy: -2.497 local terms energy: -669.994019 where: bonds (distance) C4'-P energy: -131.115 bonds (distance) P-C4' energy: -136.130 flat angles C4'-P-C4' energy: -157.903 flat angles P-C4'-P energy: -89.959 tors. eta vs tors. theta energy: -154.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1947.433693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.433693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.433693 (E_RNA) where: Base-Base interactions energy: -1301.787 where: short stacking energy: -573.486 Base-Backbone interact. energy: -2.998 local terms energy: -642.648733 where: bonds (distance) C4'-P energy: -137.388 bonds (distance) P-C4' energy: -127.883 flat angles C4'-P-C4' energy: -129.620 flat angles P-C4'-P energy: -102.920 tors. eta vs tors. theta energy: -144.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1248.113108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.113108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.113108 (E_RNA) where: Base-Base interactions energy: -722.916 where: short stacking energy: -372.596 Base-Backbone interact. energy: 5.161 local terms energy: -530.357281 where: bonds (distance) C4'-P energy: -112.781 bonds (distance) P-C4' energy: -146.579 flat angles C4'-P-C4' energy: -135.139 flat angles P-C4'-P energy: -81.943 tors. eta vs tors. theta energy: -53.915 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: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -890.264403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.264403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.264403 (E_RNA) where: Base-Base interactions energy: -458.478 where: short stacking energy: -263.354 Base-Backbone interact. energy: 0.009 local terms energy: -431.795655 where: bonds (distance) C4'-P energy: -126.862 bonds (distance) P-C4' energy: -131.161 flat angles C4'-P-C4' energy: -117.511 flat angles P-C4'-P energy: -63.143 tors. eta vs tors. theta energy: 6.881 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: 3 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3115.710767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.710767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.710767 (E_RNA) where: Base-Base interactions energy: -2193.136 where: short stacking energy: -918.788 Base-Backbone interact. energy: -3.846 local terms energy: -918.728893 where: bonds (distance) C4'-P energy: -158.834 bonds (distance) P-C4' energy: -177.957 flat angles C4'-P-C4' energy: -194.170 flat angles P-C4'-P energy: -119.526 tors. eta vs tors. theta energy: -268.242 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: 2, replica: 4 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2957.379014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.379014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.379014 (E_RNA) where: Base-Base interactions energy: -2027.966 where: short stacking energy: -917.984 Base-Backbone interact. energy: -2.055 local terms energy: -927.358097 where: bonds (distance) C4'-P energy: -170.817 bonds (distance) P-C4' energy: -168.403 flat angles C4'-P-C4' energy: -198.122 flat angles P-C4'-P energy: -114.624 tors. eta vs tors. theta energy: -275.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2913.099171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.099171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.099171 (E_RNA) where: Base-Base interactions energy: -2015.983 where: short stacking energy: -923.755 Base-Backbone interact. energy: -3.721 local terms energy: -893.395635 where: bonds (distance) C4'-P energy: -157.458 bonds (distance) P-C4' energy: -150.864 flat angles C4'-P-C4' energy: -186.694 flat angles P-C4'-P energy: -120.331 tors. eta vs tors. theta energy: -278.049 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: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2790.197728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.197728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.197728 (E_RNA) where: Base-Base interactions energy: -1909.356 where: short stacking energy: -868.823 Base-Backbone interact. energy: -4.158 local terms energy: -876.683246 where: bonds (distance) C4'-P energy: -161.308 bonds (distance) P-C4' energy: -165.435 flat angles C4'-P-C4' energy: -184.638 flat angles P-C4'-P energy: -101.722 tors. eta vs tors. theta energy: -263.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2644.110749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.110749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.110749 (E_RNA) where: Base-Base interactions energy: -1858.894 where: short stacking energy: -794.051 Base-Backbone interact. energy: 1.416 local terms energy: -786.632741 where: bonds (distance) C4'-P energy: -130.791 bonds (distance) P-C4' energy: -145.340 flat angles C4'-P-C4' energy: -184.290 flat angles P-C4'-P energy: -106.570 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: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2564.864158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.864158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.864158 (E_RNA) where: Base-Base interactions energy: -1777.756 where: short stacking energy: -791.665 Base-Backbone interact. energy: 1.295 local terms energy: -788.404095 where: bonds (distance) C4'-P energy: -146.702 bonds (distance) P-C4' energy: -154.426 flat angles C4'-P-C4' energy: -156.191 flat angles P-C4'-P energy: -97.418 tors. eta vs tors. theta energy: -233.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -2143.895281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.895281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.895281 (E_RNA) where: Base-Base interactions energy: -1463.103 where: short stacking energy: -656.328 Base-Backbone interact. energy: -0.319 local terms energy: -680.473221 where: bonds (distance) C4'-P energy: -134.840 bonds (distance) P-C4' energy: -141.625 flat angles C4'-P-C4' energy: -154.700 flat angles P-C4'-P energy: -99.069 tors. eta vs tors. theta energy: -150.239 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: 8, replica: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1945.103390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.103390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.103390 (E_RNA) where: Base-Base interactions energy: -1305.308 where: short stacking energy: -638.372 Base-Backbone interact. energy: -0.581 local terms energy: -639.214776 where: bonds (distance) C4'-P energy: -124.643 bonds (distance) P-C4' energy: -132.694 flat angles C4'-P-C4' energy: -134.293 flat angles P-C4'-P energy: -87.408 tors. eta vs tors. theta energy: -160.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1243.058555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.058555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.058555 (E_RNA) where: Base-Base interactions energy: -779.570 where: short stacking energy: -355.057 Base-Backbone interact. energy: 3.018 local terms energy: -466.506092 where: bonds (distance) C4'-P energy: -121.257 bonds (distance) P-C4' energy: -132.676 flat angles C4'-P-C4' energy: -99.516 flat angles P-C4'-P energy: -84.301 tors. eta vs tors. theta energy: -28.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -840.382427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.382427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.382427 (E_RNA) where: Base-Base interactions energy: -399.224 where: short stacking energy: -239.891 Base-Backbone interact. energy: -0.125 local terms energy: -441.033767 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -134.899 flat angles C4'-P-C4' energy: -119.795 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: 11.101 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: 3 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -3088.635521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.635521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.635521 (E_RNA) where: Base-Base interactions energy: -2155.982 where: short stacking energy: -905.023 Base-Backbone interact. energy: 0.143 local terms energy: -932.796019 where: bonds (distance) C4'-P energy: -158.181 bonds (distance) P-C4' energy: -165.540 flat angles C4'-P-C4' energy: -197.725 flat angles P-C4'-P energy: -138.698 tors. eta vs tors. theta energy: -272.651 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: 4 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2976.175322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.175322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.175322 (E_RNA) where: Base-Base interactions energy: -2070.068 where: short stacking energy: -943.518 Base-Backbone interact. energy: -5.858 local terms energy: -900.249002 where: bonds (distance) C4'-P energy: -154.501 bonds (distance) P-C4' energy: -143.383 flat angles C4'-P-C4' energy: -191.605 flat angles P-C4'-P energy: -132.757 tors. eta vs tors. theta energy: -278.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2912.698334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.698334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.698334 (E_RNA) where: Base-Base interactions energy: -2014.063 where: short stacking energy: -899.808 Base-Backbone interact. energy: -2.508 local terms energy: -896.127012 where: bonds (distance) C4'-P energy: -151.410 bonds (distance) P-C4' energy: -153.031 flat angles C4'-P-C4' energy: -191.615 flat angles P-C4'-P energy: -129.294 tors. eta vs tors. theta energy: -270.777 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: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2796.215626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.215626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.215626 (E_RNA) where: Base-Base interactions energy: -1925.065 where: short stacking energy: -841.845 Base-Backbone interact. energy: -1.036 local terms energy: -870.114140 where: bonds (distance) C4'-P energy: -160.728 bonds (distance) P-C4' energy: -155.040 flat angles C4'-P-C4' energy: -174.223 flat angles P-C4'-P energy: -128.607 tors. eta vs tors. theta energy: -251.515 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: 5, replica: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2683.588846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.588846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.588846 (E_RNA) where: Base-Base interactions energy: -1845.077 where: short stacking energy: -809.159 Base-Backbone interact. energy: -0.860 local terms energy: -837.652110 where: bonds (distance) C4'-P energy: -172.076 bonds (distance) P-C4' energy: -134.491 flat angles C4'-P-C4' energy: -165.862 flat angles P-C4'-P energy: -124.688 tors. eta vs tors. theta energy: -240.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2572.257854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.257854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.257854 (E_RNA) where: Base-Base interactions energy: -1777.620 where: short stacking energy: -777.503 Base-Backbone interact. energy: -0.860 local terms energy: -793.777536 where: bonds (distance) C4'-P energy: -118.166 bonds (distance) P-C4' energy: -150.642 flat angles C4'-P-C4' energy: -165.932 flat angles P-C4'-P energy: -110.611 tors. eta vs tors. theta energy: -248.426 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: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -2126.569717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.569717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.569717 (E_RNA) where: Base-Base interactions energy: -1418.915 where: short stacking energy: -641.976 Base-Backbone interact. energy: -2.228 local terms energy: -705.426713 where: bonds (distance) C4'-P energy: -127.240 bonds (distance) P-C4' energy: -135.471 flat angles C4'-P-C4' energy: -176.804 flat angles P-C4'-P energy: -99.481 tors. eta vs tors. theta energy: -166.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1950.460377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.460377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.460377 (E_RNA) where: Base-Base interactions energy: -1298.612 where: short stacking energy: -596.125 Base-Backbone interact. energy: -1.167 local terms energy: -650.681855 where: bonds (distance) C4'-P energy: -145.807 bonds (distance) P-C4' energy: -123.805 flat angles C4'-P-C4' energy: -130.835 flat angles P-C4'-P energy: -94.301 tors. eta vs tors. theta energy: -155.935 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: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1267.215110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.215110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.215110 (E_RNA) where: Base-Base interactions energy: -782.407 where: short stacking energy: -373.794 Base-Backbone interact. energy: 0.140 local terms energy: -484.948079 where: bonds (distance) C4'-P energy: -115.970 bonds (distance) P-C4' energy: -123.964 flat angles C4'-P-C4' energy: -114.614 flat angles P-C4'-P energy: -65.951 tors. eta vs tors. theta energy: -64.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -899.746640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.746640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.746640 (E_RNA) where: Base-Base interactions energy: -459.391 where: short stacking energy: -274.521 Base-Backbone interact. energy: 5.701 local terms energy: -446.057001 where: bonds (distance) C4'-P energy: -145.316 bonds (distance) P-C4' energy: -122.664 flat angles C4'-P-C4' energy: -110.052 flat angles P-C4'-P energy: -61.873 tors. eta vs tors. theta energy: -6.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3114.941555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.941555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.941555 (E_RNA) where: Base-Base interactions energy: -2157.637 where: short stacking energy: -940.112 Base-Backbone interact. energy: -0.421 local terms energy: -956.883426 where: bonds (distance) C4'-P energy: -161.009 bonds (distance) P-C4' energy: -181.684 flat angles C4'-P-C4' energy: -196.034 flat angles P-C4'-P energy: -133.344 tors. eta vs tors. theta energy: -284.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2994.867452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.867452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.867452 (E_RNA) where: Base-Base interactions energy: -2064.737 where: short stacking energy: -922.470 Base-Backbone interact. energy: 0.066 local terms energy: -930.196152 where: bonds (distance) C4'-P energy: -170.711 bonds (distance) P-C4' energy: -166.776 flat angles C4'-P-C4' energy: -192.707 flat angles P-C4'-P energy: -130.561 tors. eta vs tors. theta energy: -269.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2881.492966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.492966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.492966 (E_RNA) where: Base-Base interactions energy: -2008.791 where: short stacking energy: -888.679 Base-Backbone interact. energy: -2.925 local terms energy: -869.776956 where: bonds (distance) C4'-P energy: -144.759 bonds (distance) P-C4' energy: -143.744 flat angles C4'-P-C4' energy: -192.084 flat angles P-C4'-P energy: -134.805 tors. eta vs tors. theta energy: -254.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2802.726582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.726582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.726582 (E_RNA) where: Base-Base interactions energy: -1949.939 where: short stacking energy: -876.044 Base-Backbone interact. energy: -3.593 local terms energy: -849.195000 where: bonds (distance) C4'-P energy: -147.111 bonds (distance) P-C4' energy: -145.146 flat angles C4'-P-C4' energy: -172.589 flat angles P-C4'-P energy: -118.769 tors. eta vs tors. theta energy: -265.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2626.816936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.816936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.816936 (E_RNA) where: Base-Base interactions energy: -1822.311 where: short stacking energy: -837.578 Base-Backbone interact. energy: -0.966 local terms energy: -803.539501 where: bonds (distance) C4'-P energy: -138.586 bonds (distance) P-C4' energy: -141.992 flat angles C4'-P-C4' energy: -172.968 flat angles P-C4'-P energy: -114.993 tors. eta vs tors. theta energy: -235.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2524.911030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.911030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.911030 (E_RNA) where: Base-Base interactions energy: -1778.870 where: short stacking energy: -739.594 Base-Backbone interact. energy: -1.878 local terms energy: -744.163113 where: bonds (distance) C4'-P energy: -146.185 bonds (distance) P-C4' energy: -129.831 flat angles C4'-P-C4' energy: -158.742 flat angles P-C4'-P energy: -104.231 tors. eta vs tors. theta energy: -205.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2190.904702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.904702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.904702 (E_RNA) where: Base-Base interactions energy: -1450.616 where: short stacking energy: -642.256 Base-Backbone interact. energy: 7.628 local terms energy: -747.917556 where: bonds (distance) C4'-P energy: -144.138 bonds (distance) P-C4' energy: -158.943 flat angles C4'-P-C4' energy: -158.949 flat angles P-C4'-P energy: -104.846 tors. eta vs tors. theta energy: -181.042 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: 1 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -2000.928591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.928591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.928591 (E_RNA) where: Base-Base interactions energy: -1368.246 where: short stacking energy: -583.191 Base-Backbone interact. energy: 1.561 local terms energy: -634.242832 where: bonds (distance) C4'-P energy: -121.016 bonds (distance) P-C4' energy: -143.091 flat angles C4'-P-C4' energy: -155.468 flat angles P-C4'-P energy: -84.737 tors. eta vs tors. theta energy: -129.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1312.236957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.236957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.236957 (E_RNA) where: Base-Base interactions energy: -804.044 where: short stacking energy: -395.907 Base-Backbone interact. energy: -0.807 local terms energy: -507.385565 where: bonds (distance) C4'-P energy: -123.731 bonds (distance) P-C4' energy: -138.447 flat angles C4'-P-C4' energy: -127.201 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -55.302 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: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -989.231657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.231657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.231657 (E_RNA) where: Base-Base interactions energy: -509.443 where: short stacking energy: -296.053 Base-Backbone interact. energy: -2.591 local terms energy: -477.197862 where: bonds (distance) C4'-P energy: -139.353 bonds (distance) P-C4' energy: -136.018 flat angles C4'-P-C4' energy: -110.683 flat angles P-C4'-P energy: -74.803 tors. eta vs tors. theta energy: -16.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3104.096659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.096659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.096659 (E_RNA) where: Base-Base interactions energy: -2187.394 where: short stacking energy: -941.435 Base-Backbone interact. energy: -2.367 local terms energy: -914.335575 where: bonds (distance) C4'-P energy: -149.036 bonds (distance) P-C4' energy: -162.208 flat angles C4'-P-C4' energy: -197.729 flat angles P-C4'-P energy: -126.860 tors. eta vs tors. theta energy: -278.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2995.460004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.460004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.460004 (E_RNA) where: Base-Base interactions energy: -2081.923 where: short stacking energy: -929.827 Base-Backbone interact. energy: -3.604 local terms energy: -909.933027 where: bonds (distance) C4'-P energy: -151.096 bonds (distance) P-C4' energy: -158.285 flat angles C4'-P-C4' energy: -194.052 flat angles P-C4'-P energy: -127.148 tors. eta vs tors. theta energy: -279.352 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: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2898.841008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.841008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.841008 (E_RNA) where: Base-Base interactions energy: -2004.402 where: short stacking energy: -874.854 Base-Backbone interact. energy: -3.861 local terms energy: -890.577732 where: bonds (distance) C4'-P energy: -150.810 bonds (distance) P-C4' energy: -165.612 flat angles C4'-P-C4' energy: -191.882 flat angles P-C4'-P energy: -127.873 tors. eta vs tors. theta energy: -254.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2740.202189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.202189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.202189 (E_RNA) where: Base-Base interactions energy: -1882.334 where: short stacking energy: -846.906 Base-Backbone interact. energy: -1.036 local terms energy: -856.831360 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -167.479 flat angles C4'-P-C4' energy: -182.384 flat angles P-C4'-P energy: -112.469 tors. eta vs tors. theta energy: -250.831 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: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2660.230033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.230033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.230033 (E_RNA) where: Base-Base interactions energy: -1830.109 where: short stacking energy: -825.356 Base-Backbone interact. energy: -2.820 local terms energy: -827.301227 where: bonds (distance) C4'-P energy: -139.621 bonds (distance) P-C4' energy: -153.700 flat angles C4'-P-C4' energy: -167.696 flat angles P-C4'-P energy: -114.400 tors. eta vs tors. theta energy: -251.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2582.701000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.701000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.701000 (E_RNA) where: Base-Base interactions energy: -1801.016 where: short stacking energy: -779.181 Base-Backbone interact. energy: -3.473 local terms energy: -778.212205 where: bonds (distance) C4'-P energy: -131.144 bonds (distance) P-C4' energy: -158.982 flat angles C4'-P-C4' energy: -150.945 flat angles P-C4'-P energy: -104.830 tors. eta vs tors. theta energy: -232.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -2184.779941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.779941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.779941 (E_RNA) where: Base-Base interactions energy: -1458.513 where: short stacking energy: -675.807 Base-Backbone interact. energy: -3.838 local terms energy: -722.428994 where: bonds (distance) C4'-P energy: -141.644 bonds (distance) P-C4' energy: -135.597 flat angles C4'-P-C4' energy: -173.164 flat angles P-C4'-P energy: -102.645 tors. eta vs tors. theta energy: -169.380 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: 211 Temperature: 1.250000 Total energy: -2030.699197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.699197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.699197 (E_RNA) where: Base-Base interactions energy: -1394.506 where: short stacking energy: -590.017 Base-Backbone interact. energy: -1.730 local terms energy: -634.463833 where: bonds (distance) C4'-P energy: -115.546 bonds (distance) P-C4' energy: -124.020 flat angles C4'-P-C4' energy: -156.814 flat angles P-C4'-P energy: -100.275 tors. eta vs tors. theta energy: -137.809 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: 9, replica: 10 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1257.746369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.746369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.746369 (E_RNA) where: Base-Base interactions energy: -749.722 where: short stacking energy: -387.874 Base-Backbone interact. energy: 0.065 local terms energy: -508.088572 where: bonds (distance) C4'-P energy: -139.570 bonds (distance) P-C4' energy: -136.994 flat angles C4'-P-C4' energy: -125.381 flat angles P-C4'-P energy: -62.484 tors. eta vs tors. theta energy: -43.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -890.939147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.939147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.939147 (E_RNA) where: Base-Base interactions energy: -458.391 where: short stacking energy: -267.607 Base-Backbone interact. energy: -1.741 local terms energy: -430.807533 where: bonds (distance) C4'-P energy: -116.877 bonds (distance) P-C4' energy: -134.879 flat angles C4'-P-C4' energy: -122.858 flat angles P-C4'-P energy: -51.928 tors. eta vs tors. theta energy: -4.265 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: 3 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3114.962438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.962438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.962438 (E_RNA) where: Base-Base interactions energy: -2158.882 where: short stacking energy: -936.137 Base-Backbone interact. energy: -3.867 local terms energy: -952.213694 where: bonds (distance) C4'-P energy: -177.145 bonds (distance) P-C4' energy: -167.648 flat angles C4'-P-C4' energy: -190.108 flat angles P-C4'-P energy: -124.188 tors. eta vs tors. theta energy: -293.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2984.712883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.712883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.712883 (E_RNA) where: Base-Base interactions energy: -2072.229 where: short stacking energy: -905.187 Base-Backbone interact. energy: -0.888 local terms energy: -911.596821 where: bonds (distance) C4'-P energy: -157.984 bonds (distance) P-C4' energy: -162.564 flat angles C4'-P-C4' energy: -195.635 flat angles P-C4'-P energy: -122.087 tors. eta vs tors. theta energy: -273.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2895.210628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.210628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.210628 (E_RNA) where: Base-Base interactions energy: -2028.017 where: short stacking energy: -895.264 Base-Backbone interact. energy: -1.029 local terms energy: -866.163834 where: bonds (distance) C4'-P energy: -151.229 bonds (distance) P-C4' energy: -151.900 flat angles C4'-P-C4' energy: -175.558 flat angles P-C4'-P energy: -128.397 tors. eta vs tors. theta energy: -259.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2781.850486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.850486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.850486 (E_RNA) where: Base-Base interactions energy: -1919.228 where: short stacking energy: -869.817 Base-Backbone interact. energy: -2.092 local terms energy: -860.530158 where: bonds (distance) C4'-P energy: -160.791 bonds (distance) P-C4' energy: -154.240 flat angles C4'-P-C4' energy: -178.586 flat angles P-C4'-P energy: -119.456 tors. eta vs tors. theta energy: -247.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2640.470248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.470248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.470248 (E_RNA) where: Base-Base interactions energy: -1822.286 where: short stacking energy: -828.987 Base-Backbone interact. energy: -2.399 local terms energy: -815.785482 where: bonds (distance) C4'-P energy: -137.464 bonds (distance) P-C4' energy: -149.997 flat angles C4'-P-C4' energy: -174.027 flat angles P-C4'-P energy: -113.057 tors. eta vs tors. theta energy: -241.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2562.266518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.266518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.266518 (E_RNA) where: Base-Base interactions energy: -1767.249 where: short stacking energy: -759.468 Base-Backbone interact. energy: -4.059 local terms energy: -790.958693 where: bonds (distance) C4'-P energy: -138.409 bonds (distance) P-C4' energy: -148.823 flat angles C4'-P-C4' energy: -182.138 flat angles P-C4'-P energy: -111.993 tors. eta vs tors. theta energy: -209.595 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: 6 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -2113.760990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.760990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.760990 (E_RNA) where: Base-Base interactions energy: -1397.606 where: short stacking energy: -631.612 Base-Backbone interact. energy: 1.762 local terms energy: -717.916330 where: bonds (distance) C4'-P energy: -154.919 bonds (distance) P-C4' energy: -139.239 flat angles C4'-P-C4' energy: -165.375 flat angles P-C4'-P energy: -85.672 tors. eta vs tors. theta energy: -172.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -2019.900412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.900412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.900412 (E_RNA) where: Base-Base interactions energy: -1397.333 where: short stacking energy: -574.970 Base-Backbone interact. energy: -1.507 local terms energy: -621.060837 where: bonds (distance) C4'-P energy: -156.057 bonds (distance) P-C4' energy: -122.643 flat angles C4'-P-C4' energy: -141.737 flat angles P-C4'-P energy: -73.593 tors. eta vs tors. theta energy: -127.032 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: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1343.271776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.271776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.271776 (E_RNA) where: Base-Base interactions energy: -795.193 where: short stacking energy: -384.852 Base-Backbone interact. energy: 11.814 local terms energy: -559.892685 where: bonds (distance) C4'-P energy: -140.117 bonds (distance) P-C4' energy: -149.677 flat angles C4'-P-C4' energy: -126.117 flat angles P-C4'-P energy: -94.950 tors. eta vs tors. theta energy: -49.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -809.008676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.008676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.008676 (E_RNA) where: Base-Base interactions energy: -400.270 where: short stacking energy: -250.856 Base-Backbone interact. energy: -1.184 local terms energy: -407.554718 where: bonds (distance) C4'-P energy: -123.295 bonds (distance) P-C4' energy: -133.115 flat angles C4'-P-C4' energy: -97.612 flat angles P-C4'-P energy: -62.606 tors. eta vs tors. theta energy: 9.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -3138.037985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.037985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.037985 (E_RNA) where: Base-Base interactions energy: -2193.740 where: short stacking energy: -930.069 Base-Backbone interact. energy: -4.122 local terms energy: -940.176041 where: bonds (distance) C4'-P energy: -151.066 bonds (distance) P-C4' energy: -177.496 flat angles C4'-P-C4' energy: -193.777 flat angles P-C4'-P energy: -132.936 tors. eta vs tors. theta energy: -284.901 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: 4 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2978.008948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.008948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.008948 (E_RNA) where: Base-Base interactions energy: -2094.932 where: short stacking energy: -898.554 Base-Backbone interact. energy: -2.902 local terms energy: -880.175411 where: bonds (distance) C4'-P energy: -147.092 bonds (distance) P-C4' energy: -159.311 flat angles C4'-P-C4' energy: -187.154 flat angles P-C4'-P energy: -117.890 tors. eta vs tors. theta energy: -268.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2921.556236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.556236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.556236 (E_RNA) where: Base-Base interactions energy: -2049.855 where: short stacking energy: -895.705 Base-Backbone interact. energy: -3.938 local terms energy: -867.762549 where: bonds (distance) C4'-P energy: -149.665 bonds (distance) P-C4' energy: -143.011 flat angles C4'-P-C4' energy: -187.730 flat angles P-C4'-P energy: -116.916 tors. eta vs tors. theta energy: -270.440 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: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2744.832095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.832095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.832095 (E_RNA) where: Base-Base interactions energy: -1917.487 where: short stacking energy: -853.634 Base-Backbone interact. energy: -2.938 local terms energy: -824.407673 where: bonds (distance) C4'-P energy: -139.772 bonds (distance) P-C4' energy: -147.301 flat angles C4'-P-C4' energy: -171.911 flat angles P-C4'-P energy: -106.377 tors. eta vs tors. theta energy: -259.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2650.451572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.451572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.451572 (E_RNA) where: Base-Base interactions energy: -1812.741 where: short stacking energy: -798.571 Base-Backbone interact. energy: -0.652 local terms energy: -837.058272 where: bonds (distance) C4'-P energy: -165.365 bonds (distance) P-C4' energy: -150.054 flat angles C4'-P-C4' energy: -168.630 flat angles P-C4'-P energy: -112.344 tors. eta vs tors. theta energy: -240.666 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: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2594.275534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.275534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.275534 (E_RNA) where: Base-Base interactions energy: -1821.782 where: short stacking energy: -809.512 Base-Backbone interact. energy: 0.636 local terms energy: -773.129962 where: bonds (distance) C4'-P energy: -157.738 bonds (distance) P-C4' energy: -131.086 flat angles C4'-P-C4' energy: -160.484 flat angles P-C4'-P energy: -99.689 tors. eta vs tors. theta energy: -224.133 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: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -2170.827891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.827891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.827891 (E_RNA) where: Base-Base interactions energy: -1476.050 where: short stacking energy: -680.152 Base-Backbone interact. energy: 1.148 local terms energy: -695.926241 where: bonds (distance) C4'-P energy: -132.413 bonds (distance) P-C4' energy: -127.174 flat angles C4'-P-C4' energy: -158.969 flat angles P-C4'-P energy: -101.237 tors. eta vs tors. theta energy: -176.132 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: 1 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1987.190136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.190136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.190136 (E_RNA) where: Base-Base interactions energy: -1350.909 where: short stacking energy: -581.973 Base-Backbone interact. energy: -0.491 local terms energy: -635.789604 where: bonds (distance) C4'-P energy: -139.357 bonds (distance) P-C4' energy: -135.505 flat angles C4'-P-C4' energy: -126.200 flat angles P-C4'-P energy: -97.876 tors. eta vs tors. theta energy: -136.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1329.040747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.040747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.040747 (E_RNA) where: Base-Base interactions energy: -805.412 where: short stacking energy: -385.912 Base-Backbone interact. energy: -3.017 local terms energy: -520.611761 where: bonds (distance) C4'-P energy: -116.619 bonds (distance) P-C4' energy: -131.154 flat angles C4'-P-C4' energy: -145.857 flat angles P-C4'-P energy: -75.544 tors. eta vs tors. theta energy: -51.437 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: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -843.275091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.275091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.275091 (E_RNA) where: Base-Base interactions energy: -412.053 where: short stacking energy: -222.426 Base-Backbone interact. energy: 1.993 local terms energy: -433.215306 where: bonds (distance) C4'-P energy: -122.876 bonds (distance) P-C4' energy: -149.734 flat angles C4'-P-C4' energy: -113.420 flat angles P-C4'-P energy: -57.262 tors. eta vs tors. theta energy: 10.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3110.757488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.757488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.757488 (E_RNA) where: Base-Base interactions energy: -2153.252 where: short stacking energy: -926.862 Base-Backbone interact. energy: -6.599 local terms energy: -950.907409 where: bonds (distance) C4'-P energy: -179.061 bonds (distance) P-C4' energy: -177.306 flat angles C4'-P-C4' energy: -191.044 flat angles P-C4'-P energy: -131.709 tors. eta vs tors. theta energy: -271.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2991.014318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.014318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.014318 (E_RNA) where: Base-Base interactions energy: -2081.363 where: short stacking energy: -914.566 Base-Backbone interact. energy: -7.020 local terms energy: -902.631527 where: bonds (distance) C4'-P energy: -162.888 bonds (distance) P-C4' energy: -157.417 flat angles C4'-P-C4' energy: -189.446 flat angles P-C4'-P energy: -121.244 tors. eta vs tors. theta energy: -271.636 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: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2933.698673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.698673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.698673 (E_RNA) where: Base-Base interactions energy: -2027.492 where: short stacking energy: -886.935 Base-Backbone interact. energy: -2.341 local terms energy: -903.865284 where: bonds (distance) C4'-P energy: -162.594 bonds (distance) P-C4' energy: -163.852 flat angles C4'-P-C4' energy: -189.007 flat angles P-C4'-P energy: -141.658 tors. eta vs tors. theta energy: -246.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2756.058825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.058825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.058825 (E_RNA) where: Base-Base interactions energy: -1944.091 where: short stacking energy: -874.435 Base-Backbone interact. energy: 3.554 local terms energy: -815.522481 where: bonds (distance) C4'-P energy: -119.721 bonds (distance) P-C4' energy: -157.699 flat angles C4'-P-C4' energy: -166.798 flat angles P-C4'-P energy: -112.591 tors. eta vs tors. theta energy: -258.714 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: 214 Temperature: 1.100000 Total energy: -2647.311790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.311790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.311790 (E_RNA) where: Base-Base interactions energy: -1822.411 where: short stacking energy: -806.993 Base-Backbone interact. energy: -1.500 local terms energy: -823.400415 where: bonds (distance) C4'-P energy: -134.205 bonds (distance) P-C4' energy: -162.841 flat angles C4'-P-C4' energy: -169.330 flat angles P-C4'-P energy: -127.266 tors. eta vs tors. theta energy: -229.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2619.031535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.031535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.031535 (E_RNA) where: Base-Base interactions energy: -1804.426 where: short stacking energy: -781.282 Base-Backbone interact. energy: -1.840 local terms energy: -812.765096 where: bonds (distance) C4'-P energy: -132.210 bonds (distance) P-C4' energy: -155.219 flat angles C4'-P-C4' energy: -187.781 flat angles P-C4'-P energy: -108.079 tors. eta vs tors. theta energy: -229.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -2170.418593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.418593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.418593 (E_RNA) where: Base-Base interactions energy: -1477.244 where: short stacking energy: -687.826 Base-Backbone interact. energy: -3.747 local terms energy: -689.428344 where: bonds (distance) C4'-P energy: -140.776 bonds (distance) P-C4' energy: -131.738 flat angles C4'-P-C4' energy: -139.351 flat angles P-C4'-P energy: -102.723 tors. eta vs tors. theta energy: -174.840 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: 8, replica: 1 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1988.639678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.639678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.639678 (E_RNA) where: Base-Base interactions energy: -1348.004 where: short stacking energy: -603.691 Base-Backbone interact. energy: 1.105 local terms energy: -641.740593 where: bonds (distance) C4'-P energy: -131.016 bonds (distance) P-C4' energy: -136.498 flat angles C4'-P-C4' energy: -157.578 flat angles P-C4'-P energy: -67.616 tors. eta vs tors. theta energy: -149.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1355.204902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.204902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.204902 (E_RNA) where: Base-Base interactions energy: -811.125 where: short stacking energy: -400.846 Base-Backbone interact. energy: -0.653 local terms energy: -543.427245 where: bonds (distance) C4'-P energy: -135.091 bonds (distance) P-C4' energy: -129.326 flat angles C4'-P-C4' energy: -153.771 flat angles P-C4'-P energy: -67.967 tors. eta vs tors. theta energy: -57.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -888.976450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.976450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.976450 (E_RNA) where: Base-Base interactions energy: -452.480 where: short stacking energy: -260.577 Base-Backbone interact. energy: -4.040 local terms energy: -432.456103 where: bonds (distance) C4'-P energy: -136.851 bonds (distance) P-C4' energy: -131.880 flat angles C4'-P-C4' energy: -89.512 flat angles P-C4'-P energy: -65.926 tors. eta vs tors. theta energy: -8.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3108.142891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.142891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.142891 (E_RNA) where: Base-Base interactions energy: -2180.975 where: short stacking energy: -930.800 Base-Backbone interact. energy: -3.071 local terms energy: -924.097267 where: bonds (distance) C4'-P energy: -156.547 bonds (distance) P-C4' energy: -157.640 flat angles C4'-P-C4' energy: -198.730 flat angles P-C4'-P energy: -128.414 tors. eta vs tors. theta energy: -282.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2986.304012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.304012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.304012 (E_RNA) where: Base-Base interactions energy: -2079.834 where: short stacking energy: -915.417 Base-Backbone interact. energy: -2.954 local terms energy: -903.516394 where: bonds (distance) C4'-P energy: -151.417 bonds (distance) P-C4' energy: -168.391 flat angles C4'-P-C4' energy: -190.675 flat angles P-C4'-P energy: -123.159 tors. eta vs tors. theta energy: -269.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2909.969830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.969830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.969830 (E_RNA) where: Base-Base interactions energy: -2045.530 where: short stacking energy: -888.230 Base-Backbone interact. energy: -1.581 local terms energy: -862.859189 where: bonds (distance) C4'-P energy: -144.619 bonds (distance) P-C4' energy: -154.158 flat angles C4'-P-C4' energy: -185.989 flat angles P-C4'-P energy: -116.473 tors. eta vs tors. theta energy: -261.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2748.559522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.559522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.559522 (E_RNA) where: Base-Base interactions energy: -1890.858 where: short stacking energy: -851.658 Base-Backbone interact. energy: -4.518 local terms energy: -853.183800 where: bonds (distance) C4'-P energy: -152.963 bonds (distance) P-C4' energy: -158.022 flat angles C4'-P-C4' energy: -180.274 flat angles P-C4'-P energy: -107.828 tors. eta vs tors. theta energy: -254.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2625.401425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.401425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.401425 (E_RNA) where: Base-Base interactions energy: -1807.186 where: short stacking energy: -814.610 Base-Backbone interact. energy: 0.053 local terms energy: -818.268210 where: bonds (distance) C4'-P energy: -150.409 bonds (distance) P-C4' energy: -146.715 flat angles C4'-P-C4' energy: -173.271 flat angles P-C4'-P energy: -107.604 tors. eta vs tors. theta energy: -240.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2624.349163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.349163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.349163 (E_RNA) where: Base-Base interactions energy: -1816.678 where: short stacking energy: -765.912 Base-Backbone interact. energy: -3.795 local terms energy: -803.875477 where: bonds (distance) C4'-P energy: -145.811 bonds (distance) P-C4' energy: -143.245 flat angles C4'-P-C4' energy: -177.636 flat angles P-C4'-P energy: -107.299 tors. eta vs tors. theta energy: -229.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -2173.294071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.294071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.294071 (E_RNA) where: Base-Base interactions energy: -1441.569 where: short stacking energy: -672.312 Base-Backbone interact. energy: 1.040 local terms energy: -732.765515 where: bonds (distance) C4'-P energy: -140.514 bonds (distance) P-C4' energy: -138.276 flat angles C4'-P-C4' energy: -172.921 flat angles P-C4'-P energy: -95.703 tors. eta vs tors. theta energy: -185.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -2013.932408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.932408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.932408 (E_RNA) where: Base-Base interactions energy: -1343.907 where: short stacking energy: -561.441 Base-Backbone interact. energy: -1.937 local terms energy: -668.088301 where: bonds (distance) C4'-P energy: -116.451 bonds (distance) P-C4' energy: -155.767 flat angles C4'-P-C4' energy: -154.903 flat angles P-C4'-P energy: -97.697 tors. eta vs tors. theta energy: -143.271 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: 9, replica: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1360.647738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.647738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.647738 (E_RNA) where: Base-Base interactions energy: -846.137 where: short stacking energy: -401.543 Base-Backbone interact. energy: 5.309 local terms energy: -519.819489 where: bonds (distance) C4'-P energy: -133.256 bonds (distance) P-C4' energy: -137.714 flat angles C4'-P-C4' energy: -113.008 flat angles P-C4'-P energy: -81.798 tors. eta vs tors. theta energy: -54.043 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: 9 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1047.279425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.279425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.279425 (E_RNA) where: Base-Base interactions energy: -575.685 where: short stacking energy: -324.046 Base-Backbone interact. energy: -0.853 local terms energy: -470.742401 where: bonds (distance) C4'-P energy: -124.169 bonds (distance) P-C4' energy: -135.227 flat angles C4'-P-C4' energy: -99.765 flat angles P-C4'-P energy: -91.457 tors. eta vs tors. theta energy: -20.124 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: 3 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3094.867363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.867363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.867363 (E_RNA) where: Base-Base interactions energy: -2152.041 where: short stacking energy: -919.396 Base-Backbone interact. energy: -3.445 local terms energy: -939.381447 where: bonds (distance) C4'-P energy: -149.852 bonds (distance) P-C4' energy: -178.165 flat angles C4'-P-C4' energy: -199.637 flat angles P-C4'-P energy: -134.937 tors. eta vs tors. theta energy: -276.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2988.351097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.351097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.351097 (E_RNA) where: Base-Base interactions energy: -2066.174 where: short stacking energy: -910.999 Base-Backbone interact. energy: -3.454 local terms energy: -918.723238 where: bonds (distance) C4'-P energy: -167.003 bonds (distance) P-C4' energy: -154.160 flat angles C4'-P-C4' energy: -201.295 flat angles P-C4'-P energy: -125.098 tors. eta vs tors. theta energy: -271.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2923.450262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.450262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.450262 (E_RNA) where: Base-Base interactions energy: -2032.062 where: short stacking energy: -865.838 Base-Backbone interact. energy: -4.594 local terms energy: -886.794056 where: bonds (distance) C4'-P energy: -158.665 bonds (distance) P-C4' energy: -157.897 flat angles C4'-P-C4' energy: -174.945 flat angles P-C4'-P energy: -131.254 tors. eta vs tors. theta energy: -264.033 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: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2733.070705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.070705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.070705 (E_RNA) where: Base-Base interactions energy: -1899.886 where: short stacking energy: -852.395 Base-Backbone interact. energy: -1.607 local terms energy: -831.578476 where: bonds (distance) C4'-P energy: -146.160 bonds (distance) P-C4' energy: -139.256 flat angles C4'-P-C4' energy: -171.445 flat angles P-C4'-P energy: -117.576 tors. eta vs tors. theta energy: -257.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2651.193483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.193483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.193483 (E_RNA) where: Base-Base interactions energy: -1822.041 where: short stacking energy: -769.842 Base-Backbone interact. energy: -2.632 local terms energy: -826.521059 where: bonds (distance) C4'-P energy: -165.087 bonds (distance) P-C4' energy: -173.433 flat angles C4'-P-C4' energy: -164.815 flat angles P-C4'-P energy: -108.580 tors. eta vs tors. theta energy: -214.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2551.244661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.244661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.244661 (E_RNA) where: Base-Base interactions energy: -1761.935 where: short stacking energy: -785.134 Base-Backbone interact. energy: -1.943 local terms energy: -787.366144 where: bonds (distance) C4'-P energy: -133.872 bonds (distance) P-C4' energy: -145.198 flat angles C4'-P-C4' energy: -169.113 flat angles P-C4'-P energy: -105.006 tors. eta vs tors. theta energy: -234.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2151.846479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.846479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.846479 (E_RNA) where: Base-Base interactions energy: -1453.902 where: short stacking energy: -655.906 Base-Backbone interact. energy: -2.150 local terms energy: -695.794253 where: bonds (distance) C4'-P energy: -143.721 bonds (distance) P-C4' energy: -130.725 flat angles C4'-P-C4' energy: -159.868 flat angles P-C4'-P energy: -103.362 tors. eta vs tors. theta energy: -158.118 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: 216 Temperature: 1.250000 Total energy: -2038.997627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.997627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.997627 (E_RNA) where: Base-Base interactions energy: -1334.271 where: short stacking energy: -586.293 Base-Backbone interact. energy: -2.513 local terms energy: -702.213598 where: bonds (distance) C4'-P energy: -134.611 bonds (distance) P-C4' energy: -163.601 flat angles C4'-P-C4' energy: -161.274 flat angles P-C4'-P energy: -91.244 tors. eta vs tors. theta energy: -151.484 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: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1408.711654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.711654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.711654 (E_RNA) where: Base-Base interactions energy: -892.828 where: short stacking energy: -415.134 Base-Backbone interact. energy: 3.428 local terms energy: -519.311807 where: bonds (distance) C4'-P energy: -123.106 bonds (distance) P-C4' energy: -131.019 flat angles C4'-P-C4' energy: -127.873 flat angles P-C4'-P energy: -72.259 tors. eta vs tors. theta energy: -65.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1040.484708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.484708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.484708 (E_RNA) where: Base-Base interactions energy: -559.804 where: short stacking energy: -331.061 Base-Backbone interact. energy: 2.881 local terms energy: -483.562216 where: bonds (distance) C4'-P energy: -109.071 bonds (distance) P-C4' energy: -146.263 flat angles C4'-P-C4' energy: -111.426 flat angles P-C4'-P energy: -98.435 tors. eta vs tors. theta energy: -18.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3111.791157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.791157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.791157 (E_RNA) where: Base-Base interactions energy: -2167.682 where: short stacking energy: -940.541 Base-Backbone interact. energy: -3.594 local terms energy: -940.515522 where: bonds (distance) C4'-P energy: -176.980 bonds (distance) P-C4' energy: -177.273 flat angles C4'-P-C4' energy: -179.562 flat angles P-C4'-P energy: -135.077 tors. eta vs tors. theta energy: -271.623 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: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2972.785125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.785125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.785125 (E_RNA) where: Base-Base interactions energy: -2054.858 where: short stacking energy: -895.136 Base-Backbone interact. energy: -5.091 local terms energy: -912.836077 where: bonds (distance) C4'-P energy: -178.953 bonds (distance) P-C4' energy: -162.926 flat angles C4'-P-C4' energy: -181.234 flat angles P-C4'-P energy: -124.758 tors. eta vs tors. theta energy: -264.966 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: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2939.965436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.965436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.965436 (E_RNA) where: Base-Base interactions energy: -2030.278 where: short stacking energy: -889.381 Base-Backbone interact. energy: -3.811 local terms energy: -905.876550 where: bonds (distance) C4'-P energy: -144.582 bonds (distance) P-C4' energy: -179.185 flat angles C4'-P-C4' energy: -187.500 flat angles P-C4'-P energy: -132.183 tors. eta vs tors. theta energy: -262.427 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: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2739.741719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.741719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.741719 (E_RNA) where: Base-Base interactions energy: -1883.064 where: short stacking energy: -832.656 Base-Backbone interact. energy: 0.263 local terms energy: -856.940346 where: bonds (distance) C4'-P energy: -146.633 bonds (distance) P-C4' energy: -162.241 flat angles C4'-P-C4' energy: -176.405 flat angles P-C4'-P energy: -115.822 tors. eta vs tors. theta energy: -255.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2638.081153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.081153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.081153 (E_RNA) where: Base-Base interactions energy: -1821.507 where: short stacking energy: -784.368 Base-Backbone interact. energy: -0.820 local terms energy: -815.754888 where: bonds (distance) C4'-P energy: -139.055 bonds (distance) P-C4' energy: -154.489 flat angles C4'-P-C4' energy: -178.903 flat angles P-C4'-P energy: -109.526 tors. eta vs tors. theta energy: -233.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2552.186964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.186964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.186964 (E_RNA) where: Base-Base interactions energy: -1794.310 where: short stacking energy: -774.490 Base-Backbone interact. energy: -2.093 local terms energy: -755.784555 where: bonds (distance) C4'-P energy: -140.463 bonds (distance) P-C4' energy: -126.292 flat angles C4'-P-C4' energy: -165.178 flat angles P-C4'-P energy: -107.706 tors. eta vs tors. theta energy: -216.145 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: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2194.337063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.337063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.337063 (E_RNA) where: Base-Base interactions energy: -1495.101 where: short stacking energy: -672.041 Base-Backbone interact. energy: 0.449 local terms energy: -699.685275 where: bonds (distance) C4'-P energy: -135.535 bonds (distance) P-C4' energy: -126.360 flat angles C4'-P-C4' energy: -169.546 flat angles P-C4'-P energy: -96.425 tors. eta vs tors. theta energy: -171.819 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: 1 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1978.121420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.121420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.121420 (E_RNA) where: Base-Base interactions energy: -1332.311 where: short stacking energy: -604.524 Base-Backbone interact. energy: -1.016 local terms energy: -644.794350 where: bonds (distance) C4'-P energy: -132.446 bonds (distance) P-C4' energy: -124.440 flat angles C4'-P-C4' energy: -151.076 flat angles P-C4'-P energy: -96.114 tors. eta vs tors. theta energy: -140.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1359.662029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.662029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.662029 (E_RNA) where: Base-Base interactions energy: -843.717 where: short stacking energy: -388.043 Base-Backbone interact. energy: 7.291 local terms energy: -523.236972 where: bonds (distance) C4'-P energy: -125.043 bonds (distance) P-C4' energy: -154.019 flat angles C4'-P-C4' energy: -148.073 flat angles P-C4'-P energy: -41.549 tors. eta vs tors. theta energy: -54.553 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: 217 Temperature: 1.350000 Total energy: -909.946394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.946394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.946394 (E_RNA) where: Base-Base interactions energy: -443.810 where: short stacking energy: -256.690 Base-Backbone interact. energy: -1.925 local terms energy: -464.211590 where: bonds (distance) C4'-P energy: -140.350 bonds (distance) P-C4' energy: -123.485 flat angles C4'-P-C4' energy: -134.468 flat angles P-C4'-P energy: -55.164 tors. eta vs tors. theta energy: -10.745 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: 218 Temperature: 0.900000 Total energy: -3122.132721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.132721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.132721 (E_RNA) where: Base-Base interactions energy: -2186.274 where: short stacking energy: -932.895 Base-Backbone interact. energy: -6.030 local terms energy: -929.828211 where: bonds (distance) C4'-P energy: -160.513 bonds (distance) P-C4' energy: -169.657 flat angles C4'-P-C4' energy: -193.709 flat angles P-C4'-P energy: -124.739 tors. eta vs tors. theta energy: -281.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2975.837229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.837229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.837229 (E_RNA) where: Base-Base interactions energy: -2063.840 where: short stacking energy: -928.744 Base-Backbone interact. energy: -4.931 local terms energy: -907.066177 where: bonds (distance) C4'-P energy: -162.502 bonds (distance) P-C4' energy: -160.303 flat angles C4'-P-C4' energy: -181.359 flat angles P-C4'-P energy: -124.054 tors. eta vs tors. theta energy: -278.848 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: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2933.725728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.725728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.725728 (E_RNA) where: Base-Base interactions energy: -2036.073 where: short stacking energy: -893.027 Base-Backbone interact. energy: 0.583 local terms energy: -898.235736 where: bonds (distance) C4'-P energy: -149.604 bonds (distance) P-C4' energy: -171.771 flat angles C4'-P-C4' energy: -184.616 flat angles P-C4'-P energy: -122.871 tors. eta vs tors. theta energy: -269.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2691.953109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.953109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.953109 (E_RNA) where: Base-Base interactions energy: -1858.685 where: short stacking energy: -805.505 Base-Backbone interact. energy: -2.935 local terms energy: -830.333417 where: bonds (distance) C4'-P energy: -143.817 bonds (distance) P-C4' energy: -153.406 flat angles C4'-P-C4' energy: -174.062 flat angles P-C4'-P energy: -107.651 tors. eta vs tors. theta energy: -251.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2706.083192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.083192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.083192 (E_RNA) where: Base-Base interactions energy: -1893.353 where: short stacking energy: -791.674 Base-Backbone interact. energy: -1.411 local terms energy: -811.319452 where: bonds (distance) C4'-P energy: -142.423 bonds (distance) P-C4' energy: -145.957 flat angles C4'-P-C4' energy: -176.145 flat angles P-C4'-P energy: -116.192 tors. eta vs tors. theta energy: -230.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2503.703090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.703090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.703090 (E_RNA) where: Base-Base interactions energy: -1736.912 where: short stacking energy: -759.919 Base-Backbone interact. energy: -5.711 local terms energy: -761.080048 where: bonds (distance) C4'-P energy: -139.371 bonds (distance) P-C4' energy: -135.030 flat angles C4'-P-C4' energy: -171.509 flat angles P-C4'-P energy: -98.837 tors. eta vs tors. theta energy: -216.333 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: 218 Temperature: 1.200000 Total energy: -2147.252609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.252609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.252609 (E_RNA) where: Base-Base interactions energy: -1448.838 where: short stacking energy: -655.545 Base-Backbone interact. energy: -5.177 local terms energy: -693.237357 where: bonds (distance) C4'-P energy: -141.892 bonds (distance) P-C4' energy: -149.642 flat angles C4'-P-C4' energy: -152.112 flat angles P-C4'-P energy: -94.109 tors. eta vs tors. theta energy: -155.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1968.683755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.683755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.683755 (E_RNA) where: Base-Base interactions energy: -1312.789 where: short stacking energy: -611.997 Base-Backbone interact. energy: 1.877 local terms energy: -657.771747 where: bonds (distance) C4'-P energy: -128.533 bonds (distance) P-C4' energy: -151.538 flat angles C4'-P-C4' energy: -144.403 flat angles P-C4'-P energy: -89.333 tors. eta vs tors. theta energy: -143.965 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: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1262.967495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.967495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.967495 (E_RNA) where: Base-Base interactions energy: -735.329 where: short stacking energy: -354.794 Base-Backbone interact. energy: -0.908 local terms energy: -526.730435 where: bonds (distance) C4'-P energy: -110.634 bonds (distance) P-C4' energy: -148.482 flat angles C4'-P-C4' energy: -135.737 flat angles P-C4'-P energy: -89.724 tors. eta vs tors. theta energy: -42.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -928.777338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.777338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.777338 (E_RNA) where: Base-Base interactions energy: -487.782 where: short stacking energy: -269.609 Base-Backbone interact. energy: -5.376 local terms energy: -435.618656 where: bonds (distance) C4'-P energy: -125.379 bonds (distance) P-C4' energy: -134.533 flat angles C4'-P-C4' energy: -101.080 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -3163.393076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.393076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.393076 (E_RNA) where: Base-Base interactions energy: -2192.261 where: short stacking energy: -946.937 Base-Backbone interact. energy: -5.770 local terms energy: -965.362045 where: bonds (distance) C4'-P energy: -173.219 bonds (distance) P-C4' energy: -172.065 flat angles C4'-P-C4' energy: -206.243 flat angles P-C4'-P energy: -135.763 tors. eta vs tors. theta energy: -278.073 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: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2990.442885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.442885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.442885 (E_RNA) where: Base-Base interactions energy: -2076.771 where: short stacking energy: -902.176 Base-Backbone interact. energy: 3.697 local terms energy: -917.369102 where: bonds (distance) C4'-P energy: -163.509 bonds (distance) P-C4' energy: -159.924 flat angles C4'-P-C4' energy: -196.740 flat angles P-C4'-P energy: -123.119 tors. eta vs tors. theta energy: -274.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2916.049203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.049203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.049203 (E_RNA) where: Base-Base interactions energy: -2013.477 where: short stacking energy: -875.526 Base-Backbone interact. energy: -1.219 local terms energy: -901.352394 where: bonds (distance) C4'-P energy: -161.546 bonds (distance) P-C4' energy: -163.355 flat angles C4'-P-C4' energy: -185.856 flat angles P-C4'-P energy: -129.223 tors. eta vs tors. theta energy: -261.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2674.672046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.672046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.672046 (E_RNA) where: Base-Base interactions energy: -1834.766 where: short stacking energy: -818.161 Base-Backbone interact. energy: -3.438 local terms energy: -836.467407 where: bonds (distance) C4'-P energy: -145.355 bonds (distance) P-C4' energy: -149.422 flat angles C4'-P-C4' energy: -181.728 flat angles P-C4'-P energy: -124.343 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: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2663.016859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.016859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.016859 (E_RNA) where: Base-Base interactions energy: -1846.034 where: short stacking energy: -802.682 Base-Backbone interact. energy: 1.431 local terms energy: -818.413480 where: bonds (distance) C4'-P energy: -144.215 bonds (distance) P-C4' energy: -145.018 flat angles C4'-P-C4' energy: -189.076 flat angles P-C4'-P energy: -106.212 tors. eta vs tors. theta energy: -233.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2528.311005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.311005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.311005 (E_RNA) where: Base-Base interactions energy: -1740.216 where: short stacking energy: -744.054 Base-Backbone interact. energy: -0.570 local terms energy: -787.525573 where: bonds (distance) C4'-P energy: -131.135 bonds (distance) P-C4' energy: -166.401 flat angles C4'-P-C4' energy: -167.659 flat angles P-C4'-P energy: -101.436 tors. eta vs tors. theta energy: -220.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2053.393040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.393040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.393040 (E_RNA) where: Base-Base interactions energy: -1367.270 where: short stacking energy: -595.127 Base-Backbone interact. energy: 0.245 local terms energy: -686.368058 where: bonds (distance) C4'-P energy: -143.121 bonds (distance) P-C4' energy: -144.491 flat angles C4'-P-C4' energy: -165.771 flat angles P-C4'-P energy: -100.197 tors. eta vs tors. theta energy: -132.788 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: 1 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1955.898942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.898942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.898942 (E_RNA) where: Base-Base interactions energy: -1302.253 where: short stacking energy: -574.465 Base-Backbone interact. energy: -3.075 local terms energy: -650.571058 where: bonds (distance) C4'-P energy: -126.787 bonds (distance) P-C4' energy: -134.296 flat angles C4'-P-C4' energy: -151.495 flat angles P-C4'-P energy: -96.233 tors. eta vs tors. theta energy: -141.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1241.764874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.764874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.764874 (E_RNA) where: Base-Base interactions energy: -722.179 where: short stacking energy: -343.019 Base-Backbone interact. energy: 5.837 local terms energy: -525.423253 where: bonds (distance) C4'-P energy: -137.232 bonds (distance) P-C4' energy: -139.218 flat angles C4'-P-C4' energy: -133.798 flat angles P-C4'-P energy: -86.092 tors. eta vs tors. theta energy: -29.083 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: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -913.201732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.201732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.201732 (E_RNA) where: Base-Base interactions energy: -460.549 where: short stacking energy: -280.821 Base-Backbone interact. energy: -1.749 local terms energy: -450.904370 where: bonds (distance) C4'-P energy: -126.528 bonds (distance) P-C4' energy: -126.230 flat angles C4'-P-C4' energy: -134.507 flat angles P-C4'-P energy: -77.360 tors. eta vs tors. theta energy: 13.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3106.330009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.330009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.330009 (E_RNA) where: Base-Base interactions energy: -2175.440 where: short stacking energy: -941.093 Base-Backbone interact. energy: -3.960 local terms energy: -926.930667 where: bonds (distance) C4'-P energy: -155.389 bonds (distance) P-C4' energy: -158.659 flat angles C4'-P-C4' energy: -196.579 flat angles P-C4'-P energy: -141.607 tors. eta vs tors. theta energy: -274.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2976.386910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.386910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.386910 (E_RNA) where: Base-Base interactions energy: -2037.927 where: short stacking energy: -895.984 Base-Backbone interact. energy: -4.986 local terms energy: -933.473853 where: bonds (distance) C4'-P energy: -163.933 bonds (distance) P-C4' energy: -173.190 flat angles C4'-P-C4' energy: -188.962 flat angles P-C4'-P energy: -134.874 tors. eta vs tors. theta energy: -272.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2906.401197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.401197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.401197 (E_RNA) where: Base-Base interactions energy: -2022.044 where: short stacking energy: -852.784 Base-Backbone interact. energy: -3.886 local terms energy: -880.471465 where: bonds (distance) C4'-P energy: -167.878 bonds (distance) P-C4' energy: -157.949 flat angles C4'-P-C4' energy: -178.027 flat angles P-C4'-P energy: -123.080 tors. eta vs tors. theta energy: -253.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2687.030069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.030069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.030069 (E_RNA) where: Base-Base interactions energy: -1823.551 where: short stacking energy: -819.149 Base-Backbone interact. energy: -2.453 local terms energy: -861.025347 where: bonds (distance) C4'-P energy: -161.408 bonds (distance) P-C4' energy: -149.305 flat angles C4'-P-C4' energy: -176.782 flat angles P-C4'-P energy: -115.353 tors. eta vs tors. theta energy: -258.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2662.486431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.486431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.486431 (E_RNA) where: Base-Base interactions energy: -1900.900 where: short stacking energy: -831.817 Base-Backbone interact. energy: -3.527 local terms energy: -758.059580 where: bonds (distance) C4'-P energy: -133.518 bonds (distance) P-C4' energy: -146.568 flat angles C4'-P-C4' energy: -164.271 flat angles P-C4'-P energy: -94.247 tors. eta vs tors. theta energy: -219.456 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: 220 Temperature: 1.150000 Total energy: -2606.070156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.070156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.070156 (E_RNA) where: Base-Base interactions energy: -1777.577 where: short stacking energy: -815.469 Base-Backbone interact. energy: -1.883 local terms energy: -826.609989 where: bonds (distance) C4'-P energy: -143.557 bonds (distance) P-C4' energy: -148.377 flat angles C4'-P-C4' energy: -171.630 flat angles P-C4'-P energy: -108.432 tors. eta vs tors. theta energy: -254.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -2146.706501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.706501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.706501 (E_RNA) where: Base-Base interactions energy: -1420.846 where: short stacking energy: -636.324 Base-Backbone interact. energy: -3.586 local terms energy: -722.273972 where: bonds (distance) C4'-P energy: -135.666 bonds (distance) P-C4' energy: -134.770 flat angles C4'-P-C4' energy: -158.771 flat angles P-C4'-P energy: -112.724 tors. eta vs tors. theta energy: -180.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1979.061882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.061882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.061882 (E_RNA) where: Base-Base interactions energy: -1315.160 where: short stacking energy: -618.993 Base-Backbone interact. energy: -1.778 local terms energy: -662.123691 where: bonds (distance) C4'-P energy: -121.181 bonds (distance) P-C4' energy: -148.509 flat angles C4'-P-C4' energy: -150.745 flat angles P-C4'-P energy: -90.157 tors. eta vs tors. theta energy: -151.530 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: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1212.765865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.765865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.765865 (E_RNA) where: Base-Base interactions energy: -703.724 where: short stacking energy: -366.117 Base-Backbone interact. energy: -0.053 local terms energy: -508.989644 where: bonds (distance) C4'-P energy: -126.258 bonds (distance) P-C4' energy: -132.787 flat angles C4'-P-C4' energy: -134.068 flat angles P-C4'-P energy: -83.976 tors. eta vs tors. theta energy: -31.901 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: 9 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -887.250239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.250239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.250239 (E_RNA) where: Base-Base interactions energy: -445.441 where: short stacking energy: -255.910 Base-Backbone interact. energy: 2.151 local terms energy: -443.960660 where: bonds (distance) C4'-P energy: -128.700 bonds (distance) P-C4' energy: -141.955 flat angles C4'-P-C4' energy: -109.141 flat angles P-C4'-P energy: -70.779 tors. eta vs tors. theta energy: 6.614 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: 3 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3148.431428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.431428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.431428 (E_RNA) where: Base-Base interactions energy: -2179.386 where: short stacking energy: -940.905 Base-Backbone interact. energy: -6.820 local terms energy: -962.225122 where: bonds (distance) C4'-P energy: -179.572 bonds (distance) P-C4' energy: -167.366 flat angles C4'-P-C4' energy: -200.090 flat angles P-C4'-P energy: -136.550 tors. eta vs tors. theta energy: -278.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2979.533710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.533710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.533710 (E_RNA) where: Base-Base interactions energy: -2063.209 where: short stacking energy: -901.320 Base-Backbone interact. energy: -1.842 local terms energy: -914.482856 where: bonds (distance) C4'-P energy: -155.279 bonds (distance) P-C4' energy: -165.815 flat angles C4'-P-C4' energy: -180.602 flat angles P-C4'-P energy: -135.994 tors. eta vs tors. theta energy: -276.793 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: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2891.952194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.952194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.952194 (E_RNA) where: Base-Base interactions energy: -2012.753 where: short stacking energy: -895.916 Base-Backbone interact. energy: -4.527 local terms energy: -874.672751 where: bonds (distance) C4'-P energy: -159.964 bonds (distance) P-C4' energy: -140.967 flat angles C4'-P-C4' energy: -177.505 flat angles P-C4'-P energy: -133.418 tors. eta vs tors. theta energy: -262.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2766.697739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.697739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.697739 (E_RNA) where: Base-Base interactions energy: -1902.943 where: short stacking energy: -861.922 Base-Backbone interact. energy: -3.118 local terms energy: -860.637200 where: bonds (distance) C4'-P energy: -162.909 bonds (distance) P-C4' energy: -145.061 flat angles C4'-P-C4' energy: -177.820 flat angles P-C4'-P energy: -126.797 tors. eta vs tors. theta energy: -248.050 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: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2672.333402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.333402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.333402 (E_RNA) where: Base-Base interactions energy: -1817.050 where: short stacking energy: -819.428 Base-Backbone interact. energy: 1.518 local terms energy: -856.801274 where: bonds (distance) C4'-P energy: -149.397 bonds (distance) P-C4' energy: -156.265 flat angles C4'-P-C4' energy: -168.940 flat angles P-C4'-P energy: -125.955 tors. eta vs tors. theta energy: -256.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2581.610185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.610185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.610185 (E_RNA) where: Base-Base interactions energy: -1775.885 where: short stacking energy: -787.844 Base-Backbone interact. energy: -3.402 local terms energy: -802.323237 where: bonds (distance) C4'-P energy: -139.446 bonds (distance) P-C4' energy: -152.059 flat angles C4'-P-C4' energy: -173.830 flat angles P-C4'-P energy: -97.328 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: 7, replica: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -2094.391727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.391727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.391727 (E_RNA) where: Base-Base interactions energy: -1429.643 where: short stacking energy: -649.147 Base-Backbone interact. energy: -2.048 local terms energy: -662.700311 where: bonds (distance) C4'-P energy: -144.660 bonds (distance) P-C4' energy: -127.152 flat angles C4'-P-C4' energy: -146.654 flat angles P-C4'-P energy: -88.911 tors. eta vs tors. theta energy: -155.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1899.382440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.382440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.382440 (E_RNA) where: Base-Base interactions energy: -1289.959 where: short stacking energy: -589.474 Base-Backbone interact. energy: 0.806 local terms energy: -610.228646 where: bonds (distance) C4'-P energy: -106.192 bonds (distance) P-C4' energy: -141.230 flat angles C4'-P-C4' energy: -133.954 flat angles P-C4'-P energy: -89.597 tors. eta vs tors. theta energy: -139.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1256.687595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.687595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.687595 (E_RNA) where: Base-Base interactions energy: -768.301 where: short stacking energy: -392.809 Base-Backbone interact. energy: 0.729 local terms energy: -489.115887 where: bonds (distance) C4'-P energy: -101.847 bonds (distance) P-C4' energy: -144.647 flat angles C4'-P-C4' energy: -130.188 flat angles P-C4'-P energy: -65.238 tors. eta vs tors. theta energy: -47.197 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: 9 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -949.791682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.791682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.791682 (E_RNA) where: Base-Base interactions energy: -500.780 where: short stacking energy: -288.363 Base-Backbone interact. energy: 1.755 local terms energy: -450.766685 where: bonds (distance) C4'-P energy: -141.711 bonds (distance) P-C4' energy: -129.674 flat angles C4'-P-C4' energy: -112.085 flat angles P-C4'-P energy: -59.085 tors. eta vs tors. theta energy: -8.211 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: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -3131.550081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.550081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.550081 (E_RNA) where: Base-Base interactions energy: -2187.462 where: short stacking energy: -949.343 Base-Backbone interact. energy: -2.209 local terms energy: -941.878434 where: bonds (distance) C4'-P energy: -157.900 bonds (distance) P-C4' energy: -157.569 flat angles C4'-P-C4' energy: -201.345 flat angles P-C4'-P energy: -139.351 tors. eta vs tors. theta energy: -285.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2989.660853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.660853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.660853 (E_RNA) where: Base-Base interactions energy: -2059.136 where: short stacking energy: -922.832 Base-Backbone interact. energy: -3.850 local terms energy: -926.674674 where: bonds (distance) C4'-P energy: -168.843 bonds (distance) P-C4' energy: -159.933 flat angles C4'-P-C4' energy: -193.996 flat angles P-C4'-P energy: -131.153 tors. eta vs tors. theta energy: -272.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2884.381917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.381917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.381917 (E_RNA) where: Base-Base interactions energy: -2020.145 where: short stacking energy: -872.399 Base-Backbone interact. energy: -2.487 local terms energy: -861.749445 where: bonds (distance) C4'-P energy: -144.674 bonds (distance) P-C4' energy: -151.169 flat angles C4'-P-C4' energy: -187.446 flat angles P-C4'-P energy: -118.440 tors. eta vs tors. theta energy: -260.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2769.927263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.927263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.927263 (E_RNA) where: Base-Base interactions energy: -1929.215 where: short stacking energy: -847.448 Base-Backbone interact. energy: 0.358 local terms energy: -841.069732 where: bonds (distance) C4'-P energy: -164.217 bonds (distance) P-C4' energy: -138.034 flat angles C4'-P-C4' energy: -182.863 flat angles P-C4'-P energy: -119.108 tors. eta vs tors. theta energy: -236.848 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: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2638.812555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.812555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.812555 (E_RNA) where: Base-Base interactions energy: -1819.023 where: short stacking energy: -797.824 Base-Backbone interact. energy: 1.859 local terms energy: -821.648804 where: bonds (distance) C4'-P energy: -156.844 bonds (distance) P-C4' energy: -146.615 flat angles C4'-P-C4' energy: -167.603 flat angles P-C4'-P energy: -103.944 tors. eta vs tors. theta energy: -246.642 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: 8 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2616.046697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.046697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.046697 (E_RNA) where: Base-Base interactions energy: -1777.053 where: short stacking energy: -805.398 Base-Backbone interact. energy: -5.908 local terms energy: -833.086053 where: bonds (distance) C4'-P energy: -158.162 bonds (distance) P-C4' energy: -152.065 flat angles C4'-P-C4' energy: -175.308 flat angles P-C4'-P energy: -104.258 tors. eta vs tors. theta energy: -243.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -2145.126931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.126931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.126931 (E_RNA) where: Base-Base interactions energy: -1448.436 where: short stacking energy: -659.004 Base-Backbone interact. energy: 0.373 local terms energy: -697.064294 where: bonds (distance) C4'-P energy: -132.052 bonds (distance) P-C4' energy: -152.840 flat angles C4'-P-C4' energy: -148.772 flat angles P-C4'-P energy: -92.870 tors. eta vs tors. theta energy: -170.531 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: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1938.564845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.564845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.564845 (E_RNA) where: Base-Base interactions energy: -1271.942 where: short stacking energy: -576.032 Base-Backbone interact. energy: -2.532 local terms energy: -664.090078 where: bonds (distance) C4'-P energy: -145.235 bonds (distance) P-C4' energy: -144.554 flat angles C4'-P-C4' energy: -156.750 flat angles P-C4'-P energy: -76.803 tors. eta vs tors. theta energy: -140.747 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: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1255.999339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.999339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.999339 (E_RNA) where: Base-Base interactions energy: -749.361 where: short stacking energy: -351.895 Base-Backbone interact. energy: 0.835 local terms energy: -507.472972 where: bonds (distance) C4'-P energy: -137.948 bonds (distance) P-C4' energy: -135.077 flat angles C4'-P-C4' energy: -130.383 flat angles P-C4'-P energy: -73.671 tors. eta vs tors. theta energy: -30.395 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: 222 Temperature: 1.350000 Total energy: -937.166579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.166579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.166579 (E_RNA) where: Base-Base interactions energy: -493.095 where: short stacking energy: -287.544 Base-Backbone interact. energy: -7.101 local terms energy: -436.970613 where: bonds (distance) C4'-P energy: -120.902 bonds (distance) P-C4' energy: -135.157 flat angles C4'-P-C4' energy: -95.700 flat angles P-C4'-P energy: -64.513 tors. eta vs tors. theta energy: -20.699 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: 3 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3095.888154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.888154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.888154 (E_RNA) where: Base-Base interactions energy: -2154.617 where: short stacking energy: -922.015 Base-Backbone interact. energy: -5.777 local terms energy: -935.494182 where: bonds (distance) C4'-P energy: -169.104 bonds (distance) P-C4' energy: -160.174 flat angles C4'-P-C4' energy: -192.534 flat angles P-C4'-P energy: -133.608 tors. eta vs tors. theta energy: -280.075 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: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2953.233773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.233773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.233773 (E_RNA) where: Base-Base interactions energy: -2045.011 where: short stacking energy: -911.519 Base-Backbone interact. energy: -2.430 local terms energy: -905.792864 where: bonds (distance) C4'-P energy: -152.682 bonds (distance) P-C4' energy: -157.070 flat angles C4'-P-C4' energy: -190.055 flat angles P-C4'-P energy: -133.208 tors. eta vs tors. theta energy: -272.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2912.294213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.294213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.294213 (E_RNA) where: Base-Base interactions energy: -2028.690 where: short stacking energy: -890.104 Base-Backbone interact. energy: -2.547 local terms energy: -881.056982 where: bonds (distance) C4'-P energy: -143.575 bonds (distance) P-C4' energy: -161.865 flat angles C4'-P-C4' energy: -191.059 flat angles P-C4'-P energy: -121.039 tors. eta vs tors. theta energy: -263.520 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: 223 Temperature: 1.050000 Total energy: -2744.229265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.229265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.229265 (E_RNA) where: Base-Base interactions energy: -1871.194 where: short stacking energy: -842.855 Base-Backbone interact. energy: -1.721 local terms energy: -871.314273 where: bonds (distance) C4'-P energy: -157.300 bonds (distance) P-C4' energy: -170.776 flat angles C4'-P-C4' energy: -177.379 flat angles P-C4'-P energy: -138.619 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: -2641.670443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.670443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.670443 (E_RNA) where: Base-Base interactions energy: -1816.885 where: short stacking energy: -827.662 Base-Backbone interact. energy: -0.243 local terms energy: -824.542215 where: bonds (distance) C4'-P energy: -160.715 bonds (distance) P-C4' energy: -136.704 flat angles C4'-P-C4' energy: -183.343 flat angles P-C4'-P energy: -109.595 tors. eta vs tors. theta energy: -234.185 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: 8 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2621.243431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.243431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.243431 (E_RNA) where: Base-Base interactions energy: -1808.330 where: short stacking energy: -789.957 Base-Backbone interact. energy: -1.756 local terms energy: -811.157377 where: bonds (distance) C4'-P energy: -141.304 bonds (distance) P-C4' energy: -148.278 flat angles C4'-P-C4' energy: -171.887 flat angles P-C4'-P energy: -121.877 tors. eta vs tors. theta energy: -227.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -2178.455516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.455516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.455516 (E_RNA) where: Base-Base interactions energy: -1466.387 where: short stacking energy: -625.748 Base-Backbone interact. energy: -1.598 local terms energy: -710.470636 where: bonds (distance) C4'-P energy: -134.005 bonds (distance) P-C4' energy: -152.656 flat angles C4'-P-C4' energy: -149.215 flat angles P-C4'-P energy: -104.430 tors. eta vs tors. theta energy: -170.165 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: 1 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1969.551342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.551342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.551342 (E_RNA) where: Base-Base interactions energy: -1310.840 where: short stacking energy: -594.981 Base-Backbone interact. energy: -0.927 local terms energy: -657.784062 where: bonds (distance) C4'-P energy: -132.727 bonds (distance) P-C4' energy: -131.118 flat angles C4'-P-C4' energy: -162.478 flat angles P-C4'-P energy: -87.492 tors. eta vs tors. theta energy: -143.970 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: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1335.927320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.927320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.927320 (E_RNA) where: Base-Base interactions energy: -794.713 where: short stacking energy: -392.117 Base-Backbone interact. energy: -3.734 local terms energy: -537.480617 where: bonds (distance) C4'-P energy: -126.511 bonds (distance) P-C4' energy: -126.014 flat angles C4'-P-C4' energy: -145.296 flat angles P-C4'-P energy: -74.615 tors. eta vs tors. theta energy: -65.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -900.143375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.143375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.143375 (E_RNA) where: Base-Base interactions energy: -446.195 where: short stacking energy: -248.960 Base-Backbone interact. energy: 5.608 local terms energy: -459.555981 where: bonds (distance) C4'-P energy: -135.791 bonds (distance) P-C4' energy: -141.785 flat angles C4'-P-C4' energy: -119.199 flat angles P-C4'-P energy: -76.705 tors. eta vs tors. theta energy: 13.925 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: 1, replica: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3141.077123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.077123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.077123 (E_RNA) where: Base-Base interactions energy: -2192.849 where: short stacking energy: -932.101 Base-Backbone interact. energy: -2.614 local terms energy: -945.614654 where: bonds (distance) C4'-P energy: -162.331 bonds (distance) P-C4' energy: -176.768 flat angles C4'-P-C4' energy: -190.163 flat angles P-C4'-P energy: -135.961 tors. eta vs tors. theta energy: -280.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2984.493173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.493173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.493173 (E_RNA) where: Base-Base interactions energy: -2102.668 where: short stacking energy: -943.366 Base-Backbone interact. energy: -1.472 local terms energy: -880.353331 where: bonds (distance) C4'-P energy: -146.813 bonds (distance) P-C4' energy: -147.518 flat angles C4'-P-C4' energy: -187.549 flat angles P-C4'-P energy: -122.789 tors. eta vs tors. theta energy: -275.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2907.476806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.476806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.476806 (E_RNA) where: Base-Base interactions energy: -2010.782 where: short stacking energy: -887.990 Base-Backbone interact. energy: -4.131 local terms energy: -892.564101 where: bonds (distance) C4'-P energy: -154.957 bonds (distance) P-C4' energy: -151.984 flat angles C4'-P-C4' energy: -186.940 flat angles P-C4'-P energy: -135.242 tors. eta vs tors. theta energy: -263.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2748.247149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.247149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.247149 (E_RNA) where: Base-Base interactions energy: -1932.848 where: short stacking energy: -848.220 Base-Backbone interact. energy: 0.725 local terms energy: -816.124387 where: bonds (distance) C4'-P energy: -128.215 bonds (distance) P-C4' energy: -144.999 flat angles C4'-P-C4' energy: -190.476 flat angles P-C4'-P energy: -113.476 tors. eta vs tors. theta energy: -238.959 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: 224 Temperature: 1.100000 Total energy: -2654.195699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.195699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.195699 (E_RNA) where: Base-Base interactions energy: -1823.575 where: short stacking energy: -840.346 Base-Backbone interact. energy: -3.680 local terms energy: -826.939886 where: bonds (distance) C4'-P energy: -145.304 bonds (distance) P-C4' energy: -142.423 flat angles C4'-P-C4' energy: -182.825 flat angles P-C4'-P energy: -98.584 tors. eta vs tors. theta energy: -257.805 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: 8 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2613.624886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.624886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.624886 (E_RNA) where: Base-Base interactions energy: -1826.960 where: short stacking energy: -820.374 Base-Backbone interact. energy: -1.940 local terms energy: -784.725253 where: bonds (distance) C4'-P energy: -138.564 bonds (distance) P-C4' energy: -118.862 flat angles C4'-P-C4' energy: -186.237 flat angles P-C4'-P energy: -110.506 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: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2164.502323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.502323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.502323 (E_RNA) where: Base-Base interactions energy: -1455.880 where: short stacking energy: -661.324 Base-Backbone interact. energy: -2.489 local terms energy: -706.133813 where: bonds (distance) C4'-P energy: -123.527 bonds (distance) P-C4' energy: -137.152 flat angles C4'-P-C4' energy: -158.197 flat angles P-C4'-P energy: -110.378 tors. eta vs tors. theta energy: -176.879 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: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1922.762035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.762035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.762035 (E_RNA) where: Base-Base interactions energy: -1258.028 where: short stacking energy: -574.180 Base-Backbone interact. energy: 0.633 local terms energy: -665.366347 where: bonds (distance) C4'-P energy: -129.688 bonds (distance) P-C4' energy: -130.854 flat angles C4'-P-C4' energy: -154.688 flat angles P-C4'-P energy: -105.280 tors. eta vs tors. theta energy: -144.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1306.561472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.561472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.561472 (E_RNA) where: Base-Base interactions energy: -799.061 where: short stacking energy: -378.992 Base-Backbone interact. energy: 4.222 local terms energy: -511.722446 where: bonds (distance) C4'-P energy: -128.534 bonds (distance) P-C4' energy: -139.796 flat angles C4'-P-C4' energy: -121.722 flat angles P-C4'-P energy: -68.794 tors. eta vs tors. theta energy: -52.876 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: 224 Temperature: 1.350000 Total energy: -893.120048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.120048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.120048 (E_RNA) where: Base-Base interactions energy: -480.646 where: short stacking energy: -296.311 Base-Backbone interact. energy: 0.051 local terms energy: -412.524933 where: bonds (distance) C4'-P energy: -112.546 bonds (distance) P-C4' energy: -116.713 flat angles C4'-P-C4' energy: -129.966 flat angles P-C4'-P energy: -54.616 tors. eta vs tors. theta energy: 1.317 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: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3102.954452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.954452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.954452 (E_RNA) where: Base-Base interactions energy: -2166.330 where: short stacking energy: -923.244 Base-Backbone interact. energy: -4.158 local terms energy: -932.465898 where: bonds (distance) C4'-P energy: -161.158 bonds (distance) P-C4' energy: -171.393 flat angles C4'-P-C4' energy: -192.399 flat angles P-C4'-P energy: -133.518 tors. eta vs tors. theta energy: -273.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2997.178990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.178990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.178990 (E_RNA) where: Base-Base interactions energy: -2065.129 where: short stacking energy: -922.847 Base-Backbone interact. energy: -4.215 local terms energy: -927.834734 where: bonds (distance) C4'-P energy: -147.326 bonds (distance) P-C4' energy: -167.842 flat angles C4'-P-C4' energy: -192.547 flat angles P-C4'-P energy: -142.669 tors. eta vs tors. theta energy: -277.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2874.583996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.583996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.583996 (E_RNA) where: Base-Base interactions energy: -1995.682 where: short stacking energy: -875.608 Base-Backbone interact. energy: -0.196 local terms energy: -878.706061 where: bonds (distance) C4'-P energy: -135.767 bonds (distance) P-C4' energy: -157.840 flat angles C4'-P-C4' energy: -192.476 flat angles P-C4'-P energy: -125.851 tors. eta vs tors. theta energy: -266.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2742.966058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.966058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.966058 (E_RNA) where: Base-Base interactions energy: -1895.182 where: short stacking energy: -818.897 Base-Backbone interact. energy: -0.922 local terms energy: -846.861855 where: bonds (distance) C4'-P energy: -146.204 bonds (distance) P-C4' energy: -148.915 flat angles C4'-P-C4' energy: -189.554 flat angles P-C4'-P energy: -126.451 tors. eta vs tors. theta energy: -235.738 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: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2663.706664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.706664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.706664 (E_RNA) where: Base-Base interactions energy: -1825.637 where: short stacking energy: -851.508 Base-Backbone interact. energy: -0.907 local terms energy: -837.162288 where: bonds (distance) C4'-P energy: -135.875 bonds (distance) P-C4' energy: -135.259 flat angles C4'-P-C4' energy: -183.000 flat angles P-C4'-P energy: -119.322 tors. eta vs tors. theta energy: -263.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2608.219444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.219444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.219444 (E_RNA) where: Base-Base interactions energy: -1811.045 where: short stacking energy: -790.680 Base-Backbone interact. energy: -5.517 local terms energy: -791.657572 where: bonds (distance) C4'-P energy: -154.585 bonds (distance) P-C4' energy: -137.212 flat angles C4'-P-C4' energy: -169.031 flat angles P-C4'-P energy: -109.278 tors. eta vs tors. theta energy: -221.552 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: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2191.221084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.221084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.221084 (E_RNA) where: Base-Base interactions energy: -1474.756 where: short stacking energy: -661.271 Base-Backbone interact. energy: 3.489 local terms energy: -719.954611 where: bonds (distance) C4'-P energy: -135.954 bonds (distance) P-C4' energy: -141.331 flat angles C4'-P-C4' energy: -162.229 flat angles P-C4'-P energy: -86.374 tors. eta vs tors. theta energy: -194.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1973.696231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.696231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.696231 (E_RNA) where: Base-Base interactions energy: -1298.539 where: short stacking energy: -585.990 Base-Backbone interact. energy: -1.156 local terms energy: -674.001303 where: bonds (distance) C4'-P energy: -129.186 bonds (distance) P-C4' energy: -154.068 flat angles C4'-P-C4' energy: -153.536 flat angles P-C4'-P energy: -92.741 tors. eta vs tors. theta energy: -144.470 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: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1432.447762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.447762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.447762 (E_RNA) where: Base-Base interactions energy: -887.560 where: short stacking energy: -404.377 Base-Backbone interact. energy: 7.470 local terms energy: -552.357359 where: bonds (distance) C4'-P energy: -128.748 bonds (distance) P-C4' energy: -134.126 flat angles C4'-P-C4' energy: -135.815 flat angles P-C4'-P energy: -89.715 tors. eta vs tors. theta energy: -63.954 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: 10, replica: 9 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -905.873443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.873443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.873443 (E_RNA) where: Base-Base interactions energy: -438.092 where: short stacking energy: -296.823 Base-Backbone interact. energy: 0.396 local terms energy: -468.176927 where: bonds (distance) C4'-P energy: -127.292 bonds (distance) P-C4' energy: -133.168 flat angles C4'-P-C4' energy: -122.204 flat angles P-C4'-P energy: -70.924 tors. eta vs tors. theta energy: -14.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3092.890213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.890213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.890213 (E_RNA) where: Base-Base interactions energy: -2147.153 where: short stacking energy: -923.392 Base-Backbone interact. energy: -5.997 local terms energy: -939.740023 where: bonds (distance) C4'-P energy: -173.777 bonds (distance) P-C4' energy: -167.065 flat angles C4'-P-C4' energy: -188.132 flat angles P-C4'-P energy: -132.382 tors. eta vs tors. theta energy: -278.385 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: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2994.946301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.946301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.946301 (E_RNA) where: Base-Base interactions energy: -2088.782 where: short stacking energy: -926.962 Base-Backbone interact. energy: -1.935 local terms energy: -904.229414 where: bonds (distance) C4'-P energy: -161.202 bonds (distance) P-C4' energy: -160.658 flat angles C4'-P-C4' energy: -182.818 flat angles P-C4'-P energy: -117.604 tors. eta vs tors. theta energy: -281.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2924.769105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.769105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.769105 (E_RNA) where: Base-Base interactions energy: -2027.139 where: short stacking energy: -909.857 Base-Backbone interact. energy: -4.864 local terms energy: -892.766537 where: bonds (distance) C4'-P energy: -164.632 bonds (distance) P-C4' energy: -151.326 flat angles C4'-P-C4' energy: -187.617 flat angles P-C4'-P energy: -118.844 tors. eta vs tors. theta energy: -270.348 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: 7 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2725.302927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.302927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.302927 (E_RNA) where: Base-Base interactions energy: -1897.834 where: short stacking energy: -832.599 Base-Backbone interact. energy: -3.639 local terms energy: -823.830348 where: bonds (distance) C4'-P energy: -144.211 bonds (distance) P-C4' energy: -145.976 flat angles C4'-P-C4' energy: -191.801 flat angles P-C4'-P energy: -110.437 tors. eta vs tors. theta energy: -231.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2695.239699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.239699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.239699 (E_RNA) where: Base-Base interactions energy: -1849.702 where: short stacking energy: -825.403 Base-Backbone interact. energy: -1.410 local terms energy: -844.127138 where: bonds (distance) C4'-P energy: -157.848 bonds (distance) P-C4' energy: -162.933 flat angles C4'-P-C4' energy: -175.319 flat angles P-C4'-P energy: -99.378 tors. eta vs tors. theta energy: -248.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2591.197962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.197962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.197962 (E_RNA) where: Base-Base interactions energy: -1779.332 where: short stacking energy: -757.376 Base-Backbone interact. energy: 3.659 local terms energy: -815.525330 where: bonds (distance) C4'-P energy: -158.461 bonds (distance) P-C4' energy: -152.059 flat angles C4'-P-C4' energy: -178.835 flat angles P-C4'-P energy: -107.656 tors. eta vs tors. theta energy: -218.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2168.214411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.214411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.214411 (E_RNA) where: Base-Base interactions energy: -1436.312 where: short stacking energy: -657.881 Base-Backbone interact. energy: 0.699 local terms energy: -732.601379 where: bonds (distance) C4'-P energy: -134.878 bonds (distance) P-C4' energy: -160.796 flat angles C4'-P-C4' energy: -166.814 flat angles P-C4'-P energy: -87.675 tors. eta vs tors. theta energy: -182.438 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: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1949.010545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.010545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.010545 (E_RNA) where: Base-Base interactions energy: -1304.143 where: short stacking energy: -601.282 Base-Backbone interact. energy: -0.104 local terms energy: -644.763836 where: bonds (distance) C4'-P energy: -126.387 bonds (distance) P-C4' energy: -148.577 flat angles C4'-P-C4' energy: -143.935 flat angles P-C4'-P energy: -79.007 tors. eta vs tors. theta energy: -146.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1552.176855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.176855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.176855 (E_RNA) where: Base-Base interactions energy: -967.580 where: short stacking energy: -465.750 Base-Backbone interact. energy: -0.842 local terms energy: -583.754921 where: bonds (distance) C4'-P energy: -126.711 bonds (distance) P-C4' energy: -137.072 flat angles C4'-P-C4' energy: -134.576 flat angles P-C4'-P energy: -83.378 tors. eta vs tors. theta energy: -102.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -934.981529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.981529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.981529 (E_RNA) where: Base-Base interactions energy: -446.415 where: short stacking energy: -280.950 Base-Backbone interact. energy: 3.091 local terms energy: -491.657812 where: bonds (distance) C4'-P energy: -145.503 bonds (distance) P-C4' energy: -137.028 flat angles C4'-P-C4' energy: -113.999 flat angles P-C4'-P energy: -74.438 tors. eta vs tors. theta energy: -20.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3111.182145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.182145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.182145 (E_RNA) where: Base-Base interactions energy: -2177.730 where: short stacking energy: -901.117 Base-Backbone interact. energy: -7.454 local terms energy: -925.998080 where: bonds (distance) C4'-P energy: -157.694 bonds (distance) P-C4' energy: -168.507 flat angles C4'-P-C4' energy: -192.646 flat angles P-C4'-P energy: -136.825 tors. eta vs tors. theta energy: -270.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2974.688526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.688526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.688526 (E_RNA) where: Base-Base interactions energy: -2052.998 where: short stacking energy: -904.180 Base-Backbone interact. energy: -1.772 local terms energy: -919.918412 where: bonds (distance) C4'-P energy: -162.372 bonds (distance) P-C4' energy: -172.599 flat angles C4'-P-C4' energy: -190.724 flat angles P-C4'-P energy: -115.915 tors. eta vs tors. theta energy: -278.309 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: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2907.419970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.419970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.419970 (E_RNA) where: Base-Base interactions energy: -2022.667 where: short stacking energy: -881.920 Base-Backbone interact. energy: -2.783 local terms energy: -881.969627 where: bonds (distance) C4'-P energy: -163.286 bonds (distance) P-C4' energy: -156.678 flat angles C4'-P-C4' energy: -179.867 flat angles P-C4'-P energy: -124.307 tors. eta vs tors. theta energy: -257.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2769.148126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.148126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.148126 (E_RNA) where: Base-Base interactions energy: -1924.903 where: short stacking energy: -864.026 Base-Backbone interact. energy: -0.124 local terms energy: -844.120876 where: bonds (distance) C4'-P energy: -123.435 bonds (distance) P-C4' energy: -154.652 flat angles C4'-P-C4' energy: -180.680 flat angles P-C4'-P energy: -120.245 tors. eta vs tors. theta energy: -265.108 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: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2658.156287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.156287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.156287 (E_RNA) where: Base-Base interactions energy: -1849.207 where: short stacking energy: -801.627 Base-Backbone interact. energy: -3.086 local terms energy: -805.862762 where: bonds (distance) C4'-P energy: -159.779 bonds (distance) P-C4' energy: -159.387 flat angles C4'-P-C4' energy: -177.952 flat angles P-C4'-P energy: -92.362 tors. eta vs tors. theta energy: -216.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2613.833943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.833943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.833943 (E_RNA) where: Base-Base interactions energy: -1797.129 where: short stacking energy: -804.240 Base-Backbone interact. energy: 1.558 local terms energy: -818.262616 where: bonds (distance) C4'-P energy: -135.945 bonds (distance) P-C4' energy: -144.718 flat angles C4'-P-C4' energy: -185.671 flat angles P-C4'-P energy: -118.764 tors. eta vs tors. theta energy: -233.164 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: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2076.962594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.962594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.962594 (E_RNA) where: Base-Base interactions energy: -1412.705 where: short stacking energy: -630.548 Base-Backbone interact. energy: -0.887 local terms energy: -663.370353 where: bonds (distance) C4'-P energy: -153.186 bonds (distance) P-C4' energy: -135.881 flat angles C4'-P-C4' energy: -136.952 flat angles P-C4'-P energy: -77.816 tors. eta vs tors. theta energy: -159.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1953.934302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.934302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.934302 (E_RNA) where: Base-Base interactions energy: -1333.785 where: short stacking energy: -587.626 Base-Backbone interact. energy: 3.652 local terms energy: -623.801592 where: bonds (distance) C4'-P energy: -118.172 bonds (distance) P-C4' energy: -151.591 flat angles C4'-P-C4' energy: -123.514 flat angles P-C4'-P energy: -98.985 tors. eta vs tors. theta energy: -131.540 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: 9, replica: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1543.098017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.098017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.098017 (E_RNA) where: Base-Base interactions energy: -966.012 where: short stacking energy: -434.599 Base-Backbone interact. energy: 7.051 local terms energy: -584.137416 where: bonds (distance) C4'-P energy: -140.268 bonds (distance) P-C4' energy: -136.023 flat angles C4'-P-C4' energy: -133.734 flat angles P-C4'-P energy: -73.134 tors. eta vs tors. theta energy: -100.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -840.054445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.054445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.054445 (E_RNA) where: Base-Base interactions energy: -371.003 where: short stacking energy: -222.250 Base-Backbone interact. energy: 1.864 local terms energy: -470.915145 where: bonds (distance) C4'-P energy: -140.252 bonds (distance) P-C4' energy: -153.705 flat angles C4'-P-C4' energy: -131.142 flat angles P-C4'-P energy: -57.538 tors. eta vs tors. theta energy: 11.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3124.875701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.875701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.875701 (E_RNA) where: Base-Base interactions energy: -2181.339 where: short stacking energy: -924.298 Base-Backbone interact. energy: -2.995 local terms energy: -940.541530 where: bonds (distance) C4'-P energy: -156.872 bonds (distance) P-C4' energy: -162.052 flat angles C4'-P-C4' energy: -202.118 flat angles P-C4'-P energy: -144.451 tors. eta vs tors. theta energy: -275.048 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: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2964.681897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.681897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.681897 (E_RNA) where: Base-Base interactions energy: -2080.619 where: short stacking energy: -920.447 Base-Backbone interact. energy: -0.419 local terms energy: -883.643843 where: bonds (distance) C4'-P energy: -156.590 bonds (distance) P-C4' energy: -155.028 flat angles C4'-P-C4' energy: -177.398 flat angles P-C4'-P energy: -127.885 tors. eta vs tors. theta energy: -266.743 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: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2888.638217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.638217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.638217 (E_RNA) where: Base-Base interactions energy: -2004.493 where: short stacking energy: -875.378 Base-Backbone interact. energy: -1.978 local terms energy: -882.167994 where: bonds (distance) C4'-P energy: -155.788 bonds (distance) P-C4' energy: -156.433 flat angles C4'-P-C4' energy: -201.222 flat angles P-C4'-P energy: -117.091 tors. eta vs tors. theta energy: -251.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2728.863155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.863155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.863155 (E_RNA) where: Base-Base interactions energy: -1886.533 where: short stacking energy: -864.764 Base-Backbone interact. energy: 7.347 local terms energy: -849.677024 where: bonds (distance) C4'-P energy: -147.583 bonds (distance) P-C4' energy: -149.287 flat angles C4'-P-C4' energy: -180.272 flat angles P-C4'-P energy: -117.760 tors. eta vs tors. theta energy: -254.776 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: 5, replica: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2641.745101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.745101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.745101 (E_RNA) where: Base-Base interactions energy: -1834.562 where: short stacking energy: -785.812 Base-Backbone interact. energy: 0.100 local terms energy: -807.282387 where: bonds (distance) C4'-P energy: -134.991 bonds (distance) P-C4' energy: -180.625 flat angles C4'-P-C4' energy: -185.552 flat angles P-C4'-P energy: -92.049 tors. eta vs tors. theta energy: -214.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2616.266760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.266760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.266760 (E_RNA) where: Base-Base interactions energy: -1803.435 where: short stacking energy: -806.342 Base-Backbone interact. energy: 0.203 local terms energy: -813.034265 where: bonds (distance) C4'-P energy: -150.106 bonds (distance) P-C4' energy: -136.158 flat angles C4'-P-C4' energy: -168.238 flat angles P-C4'-P energy: -114.889 tors. eta vs tors. theta energy: -243.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -2105.981760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.981760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.981760 (E_RNA) where: Base-Base interactions energy: -1421.059 where: short stacking energy: -615.814 Base-Backbone interact. energy: -2.659 local terms energy: -682.264164 where: bonds (distance) C4'-P energy: -113.566 bonds (distance) P-C4' energy: -154.320 flat angles C4'-P-C4' energy: -165.926 flat angles P-C4'-P energy: -100.045 tors. eta vs tors. theta energy: -148.407 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: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1970.484843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.484843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.484843 (E_RNA) where: Base-Base interactions energy: -1355.571 where: short stacking energy: -601.603 Base-Backbone interact. energy: 4.114 local terms energy: -619.027523 where: bonds (distance) C4'-P energy: -111.691 bonds (distance) P-C4' energy: -125.392 flat angles C4'-P-C4' energy: -162.756 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: -150.702 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: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1494.232638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.232638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.232638 (E_RNA) where: Base-Base interactions energy: -942.530 where: short stacking energy: -410.366 Base-Backbone interact. energy: -4.772 local terms energy: -546.930928 where: bonds (distance) C4'-P energy: -109.010 bonds (distance) P-C4' energy: -146.406 flat angles C4'-P-C4' energy: -126.783 flat angles P-C4'-P energy: -94.796 tors. eta vs tors. theta energy: -69.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -901.205673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.205673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.205673 (E_RNA) where: Base-Base interactions energy: -423.120 where: short stacking energy: -273.239 Base-Backbone interact. energy: 8.230 local terms energy: -486.315952 where: bonds (distance) C4'-P energy: -136.655 bonds (distance) P-C4' energy: -159.987 flat angles C4'-P-C4' energy: -110.711 flat angles P-C4'-P energy: -48.203 tors. eta vs tors. theta energy: -30.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3125.159031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.159031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.159031 (E_RNA) where: Base-Base interactions energy: -2200.829 where: short stacking energy: -947.324 Base-Backbone interact. energy: -1.886 local terms energy: -922.443617 where: bonds (distance) C4'-P energy: -161.525 bonds (distance) P-C4' energy: -165.003 flat angles C4'-P-C4' energy: -195.662 flat angles P-C4'-P energy: -124.845 tors. eta vs tors. theta energy: -275.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -3011.106211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.106211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.106211 (E_RNA) where: Base-Base interactions energy: -2105.609 where: short stacking energy: -908.092 Base-Backbone interact. energy: -5.159 local terms energy: -900.337298 where: bonds (distance) C4'-P energy: -156.200 bonds (distance) P-C4' energy: -152.966 flat angles C4'-P-C4' energy: -189.433 flat angles P-C4'-P energy: -127.874 tors. eta vs tors. theta energy: -273.865 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: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2870.132851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.132851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.132851 (E_RNA) where: Base-Base interactions energy: -2004.782 where: short stacking energy: -867.260 Base-Backbone interact. energy: -1.621 local terms energy: -863.729705 where: bonds (distance) C4'-P energy: -126.138 bonds (distance) P-C4' energy: -170.835 flat angles C4'-P-C4' energy: -188.073 flat angles P-C4'-P energy: -123.921 tors. eta vs tors. theta energy: -254.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2730.130790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.130790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.130790 (E_RNA) where: Base-Base interactions energy: -1899.143 where: short stacking energy: -815.502 Base-Backbone interact. energy: -3.336 local terms energy: -827.651575 where: bonds (distance) C4'-P energy: -142.447 bonds (distance) P-C4' energy: -157.350 flat angles C4'-P-C4' energy: -178.963 flat angles P-C4'-P energy: -116.527 tors. eta vs tors. theta energy: -232.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2677.030567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.030567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.030567 (E_RNA) where: Base-Base interactions energy: -1828.325 where: short stacking energy: -825.244 Base-Backbone interact. energy: -3.159 local terms energy: -845.547415 where: bonds (distance) C4'-P energy: -164.016 bonds (distance) P-C4' energy: -136.982 flat angles C4'-P-C4' energy: -182.545 flat angles P-C4'-P energy: -125.111 tors. eta vs tors. theta energy: -236.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2579.365091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.365091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.365091 (E_RNA) where: Base-Base interactions energy: -1758.087 where: short stacking energy: -762.159 Base-Backbone interact. energy: -2.069 local terms energy: -819.209578 where: bonds (distance) C4'-P energy: -153.950 bonds (distance) P-C4' energy: -151.698 flat angles C4'-P-C4' energy: -171.519 flat angles P-C4'-P energy: -114.135 tors. eta vs tors. theta energy: -227.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2245.135799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.135799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.135799 (E_RNA) where: Base-Base interactions energy: -1521.519 where: short stacking energy: -705.011 Base-Backbone interact. energy: -1.739 local terms energy: -721.878422 where: bonds (distance) C4'-P energy: -109.371 bonds (distance) P-C4' energy: -157.741 flat angles C4'-P-C4' energy: -169.060 flat angles P-C4'-P energy: -94.349 tors. eta vs tors. theta energy: -191.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -2031.054397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.054397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.054397 (E_RNA) where: Base-Base interactions energy: -1377.051 where: short stacking energy: -621.084 Base-Backbone interact. energy: 3.656 local terms energy: -657.659176 where: bonds (distance) C4'-P energy: -117.641 bonds (distance) P-C4' energy: -153.340 flat angles C4'-P-C4' energy: -156.246 flat angles P-C4'-P energy: -80.951 tors. eta vs tors. theta energy: -149.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1428.383302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.383302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.383302 (E_RNA) where: Base-Base interactions energy: -891.338 where: short stacking energy: -422.339 Base-Backbone interact. energy: 4.534 local terms energy: -541.579500 where: bonds (distance) C4'-P energy: -130.798 bonds (distance) P-C4' energy: -131.351 flat angles C4'-P-C4' energy: -118.314 flat angles P-C4'-P energy: -95.757 tors. eta vs tors. theta energy: -65.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -830.750650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.750650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.750650 (E_RNA) where: Base-Base interactions energy: -385.873 where: short stacking energy: -248.777 Base-Backbone interact. energy: -1.508 local terms energy: -443.369511 where: bonds (distance) C4'-P energy: -145.695 bonds (distance) P-C4' energy: -129.089 flat angles C4'-P-C4' energy: -119.525 flat angles P-C4'-P energy: -65.894 tors. eta vs tors. theta energy: 16.834 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: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3101.110121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.110121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.110121 (E_RNA) where: Base-Base interactions energy: -2164.893 where: short stacking energy: -924.406 Base-Backbone interact. energy: -3.404 local terms energy: -932.813253 where: bonds (distance) C4'-P energy: -157.152 bonds (distance) P-C4' energy: -159.933 flat angles C4'-P-C4' energy: -197.540 flat angles P-C4'-P energy: -131.379 tors. eta vs tors. theta energy: -286.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2990.287727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.287727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.287727 (E_RNA) where: Base-Base interactions energy: -2096.803 where: short stacking energy: -913.281 Base-Backbone interact. energy: -1.876 local terms energy: -891.607952 where: bonds (distance) C4'-P energy: -155.093 bonds (distance) P-C4' energy: -146.019 flat angles C4'-P-C4' energy: -188.640 flat angles P-C4'-P energy: -123.392 tors. eta vs tors. theta energy: -278.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2873.272927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.272927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.272927 (E_RNA) where: Base-Base interactions energy: -1979.602 where: short stacking energy: -901.846 Base-Backbone interact. energy: -3.709 local terms energy: -889.961376 where: bonds (distance) C4'-P energy: -151.713 bonds (distance) P-C4' energy: -156.970 flat angles C4'-P-C4' energy: -192.260 flat angles P-C4'-P energy: -125.960 tors. eta vs tors. theta energy: -263.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2740.040897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.040897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.040897 (E_RNA) where: Base-Base interactions energy: -1923.942 where: short stacking energy: -825.481 Base-Backbone interact. energy: -3.729 local terms energy: -812.369933 where: bonds (distance) C4'-P energy: -135.127 bonds (distance) P-C4' energy: -137.151 flat angles C4'-P-C4' energy: -182.921 flat angles P-C4'-P energy: -129.885 tors. eta vs tors. theta energy: -227.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2659.361966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.361966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.361966 (E_RNA) where: Base-Base interactions energy: -1830.398 where: short stacking energy: -810.441 Base-Backbone interact. energy: -4.321 local terms energy: -824.642697 where: bonds (distance) C4'-P energy: -157.045 bonds (distance) P-C4' energy: -148.443 flat angles C4'-P-C4' energy: -186.445 flat angles P-C4'-P energy: -96.955 tors. eta vs tors. theta energy: -235.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2544.988635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.988635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.988635 (E_RNA) where: Base-Base interactions energy: -1766.442 where: short stacking energy: -780.294 Base-Backbone interact. energy: -2.068 local terms energy: -776.478307 where: bonds (distance) C4'-P energy: -143.547 bonds (distance) P-C4' energy: -143.559 flat angles C4'-P-C4' energy: -166.062 flat angles P-C4'-P energy: -110.051 tors. eta vs tors. theta energy: -213.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2262.683412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.683412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.683412 (E_RNA) where: Base-Base interactions energy: -1481.788 where: short stacking energy: -689.695 Base-Backbone interact. energy: -4.361 local terms energy: -776.534508 where: bonds (distance) C4'-P energy: -152.674 bonds (distance) P-C4' energy: -159.738 flat angles C4'-P-C4' energy: -169.196 flat angles P-C4'-P energy: -101.650 tors. eta vs tors. theta energy: -193.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1921.953972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.953972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.953972 (E_RNA) where: Base-Base interactions energy: -1244.990 where: short stacking energy: -571.358 Base-Backbone interact. energy: -4.338 local terms energy: -672.626178 where: bonds (distance) C4'-P energy: -130.414 bonds (distance) P-C4' energy: -152.006 flat angles C4'-P-C4' energy: -151.164 flat angles P-C4'-P energy: -99.089 tors. eta vs tors. theta energy: -139.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1471.270151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.270151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.270151 (E_RNA) where: Base-Base interactions energy: -898.765 where: short stacking energy: -445.079 Base-Backbone interact. energy: -2.754 local terms energy: -569.751003 where: bonds (distance) C4'-P energy: -124.596 bonds (distance) P-C4' energy: -137.888 flat angles C4'-P-C4' energy: -137.840 flat angles P-C4'-P energy: -81.068 tors. eta vs tors. theta energy: -88.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -772.332535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.332535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.332535 (E_RNA) where: Base-Base interactions energy: -361.082 where: short stacking energy: -238.079 Base-Backbone interact. energy: -3.135 local terms energy: -408.115875 where: bonds (distance) C4'-P energy: -111.721 bonds (distance) P-C4' energy: -135.687 flat angles C4'-P-C4' energy: -124.660 flat angles P-C4'-P energy: -49.882 tors. eta vs tors. theta energy: 13.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3138.099671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.099671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.099671 (E_RNA) where: Base-Base interactions energy: -2194.833 where: short stacking energy: -948.459 Base-Backbone interact. energy: -2.498 local terms energy: -940.768760 where: bonds (distance) C4'-P energy: -176.062 bonds (distance) P-C4' energy: -163.589 flat angles C4'-P-C4' energy: -194.877 flat angles P-C4'-P energy: -121.120 tors. eta vs tors. theta energy: -285.121 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: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2990.612474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.612474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.612474 (E_RNA) where: Base-Base interactions energy: -2090.003 where: short stacking energy: -932.867 Base-Backbone interact. energy: -4.006 local terms energy: -896.602945 where: bonds (distance) C4'-P energy: -146.351 bonds (distance) P-C4' energy: -159.767 flat angles C4'-P-C4' energy: -191.263 flat angles P-C4'-P energy: -119.144 tors. eta vs tors. theta energy: -280.078 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: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2901.116559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.116559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.116559 (E_RNA) where: Base-Base interactions energy: -2018.362 where: short stacking energy: -872.927 Base-Backbone interact. energy: 0.617 local terms energy: -883.371304 where: bonds (distance) C4'-P energy: -172.840 bonds (distance) P-C4' energy: -143.296 flat angles C4'-P-C4' energy: -179.887 flat angles P-C4'-P energy: -128.398 tors. eta vs tors. theta energy: -258.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2701.489902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.489902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.489902 (E_RNA) where: Base-Base interactions energy: -1863.553 where: short stacking energy: -816.712 Base-Backbone interact. energy: -4.507 local terms energy: -833.429553 where: bonds (distance) C4'-P energy: -146.021 bonds (distance) P-C4' energy: -159.900 flat angles C4'-P-C4' energy: -175.324 flat angles P-C4'-P energy: -120.795 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: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2658.556160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.556160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.556160 (E_RNA) where: Base-Base interactions energy: -1837.388 where: short stacking energy: -827.763 Base-Backbone interact. energy: -2.434 local terms energy: -818.734494 where: bonds (distance) C4'-P energy: -157.828 bonds (distance) P-C4' energy: -151.593 flat angles C4'-P-C4' energy: -177.583 flat angles P-C4'-P energy: -100.567 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: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2534.010168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.010168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.010168 (E_RNA) where: Base-Base interactions energy: -1719.474 where: short stacking energy: -764.777 Base-Backbone interact. energy: -3.886 local terms energy: -810.650182 where: bonds (distance) C4'-P energy: -135.659 bonds (distance) P-C4' energy: -156.194 flat angles C4'-P-C4' energy: -181.852 flat angles P-C4'-P energy: -110.647 tors. eta vs tors. theta energy: -226.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2277.554760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.554760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.554760 (E_RNA) where: Base-Base interactions energy: -1537.780 where: short stacking energy: -664.103 Base-Backbone interact. energy: -1.562 local terms energy: -738.212738 where: bonds (distance) C4'-P energy: -163.721 bonds (distance) P-C4' energy: -154.663 flat angles C4'-P-C4' energy: -143.832 flat angles P-C4'-P energy: -103.043 tors. eta vs tors. theta energy: -172.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1906.654611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.654611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.654611 (E_RNA) where: Base-Base interactions energy: -1273.318 where: short stacking energy: -560.889 Base-Backbone interact. energy: -2.493 local terms energy: -630.843301 where: bonds (distance) C4'-P energy: -113.976 bonds (distance) P-C4' energy: -146.378 flat angles C4'-P-C4' energy: -152.065 flat angles P-C4'-P energy: -91.729 tors. eta vs tors. theta energy: -126.695 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: 9, replica: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1389.098644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.098644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.098644 (E_RNA) where: Base-Base interactions energy: -872.408 where: short stacking energy: -409.737 Base-Backbone interact. energy: -2.549 local terms energy: -514.141207 where: bonds (distance) C4'-P energy: -124.158 bonds (distance) P-C4' energy: -121.734 flat angles C4'-P-C4' energy: -123.612 flat angles P-C4'-P energy: -82.811 tors. eta vs tors. theta energy: -61.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -812.969762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.969762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.969762 (E_RNA) where: Base-Base interactions energy: -369.566 where: short stacking energy: -233.486 Base-Backbone interact. energy: -4.747 local terms energy: -438.656321 where: bonds (distance) C4'-P energy: -144.633 bonds (distance) P-C4' energy: -117.553 flat angles C4'-P-C4' energy: -111.637 flat angles P-C4'-P energy: -78.517 tors. eta vs tors. theta energy: 13.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3125.525783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.525783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.525783 (E_RNA) where: Base-Base interactions energy: -2169.990 where: short stacking energy: -958.393 Base-Backbone interact. energy: -4.467 local terms energy: -951.069088 where: bonds (distance) C4'-P energy: -167.418 bonds (distance) P-C4' energy: -173.544 flat angles C4'-P-C4' energy: -200.995 flat angles P-C4'-P energy: -131.393 tors. eta vs tors. theta energy: -277.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -3003.267286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.267286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.267286 (E_RNA) where: Base-Base interactions energy: -2105.297 where: short stacking energy: -916.422 Base-Backbone interact. energy: -0.320 local terms energy: -897.649841 where: bonds (distance) C4'-P energy: -144.744 bonds (distance) P-C4' energy: -169.140 flat angles C4'-P-C4' energy: -194.595 flat angles P-C4'-P energy: -112.896 tors. eta vs tors. theta energy: -276.275 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: 3, replica: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2878.385793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.385793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.385793 (E_RNA) where: Base-Base interactions energy: -1999.480 where: short stacking energy: -886.495 Base-Backbone interact. energy: -4.533 local terms energy: -874.373200 where: bonds (distance) C4'-P energy: -146.824 bonds (distance) P-C4' energy: -160.552 flat angles C4'-P-C4' energy: -187.384 flat angles P-C4'-P energy: -122.703 tors. eta vs tors. theta energy: -256.909 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: 7 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2700.300076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.300076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.300076 (E_RNA) where: Base-Base interactions energy: -1907.029 where: short stacking energy: -846.550 Base-Backbone interact. energy: -2.661 local terms energy: -790.610342 where: bonds (distance) C4'-P energy: -146.304 bonds (distance) P-C4' energy: -151.562 flat angles C4'-P-C4' energy: -151.733 flat angles P-C4'-P energy: -114.473 tors. eta vs tors. theta energy: -226.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2696.056112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.056112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.056112 (E_RNA) where: Base-Base interactions energy: -1902.945 where: short stacking energy: -837.057 Base-Backbone interact. energy: -1.827 local terms energy: -791.283860 where: bonds (distance) C4'-P energy: -132.037 bonds (distance) P-C4' energy: -148.615 flat angles C4'-P-C4' energy: -161.147 flat angles P-C4'-P energy: -105.209 tors. eta vs tors. theta energy: -244.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2565.363136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.363136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.363136 (E_RNA) where: Base-Base interactions energy: -1758.285 where: short stacking energy: -754.654 Base-Backbone interact. energy: 1.734 local terms energy: -808.811636 where: bonds (distance) C4'-P energy: -145.137 bonds (distance) P-C4' energy: -151.397 flat angles C4'-P-C4' energy: -188.015 flat angles P-C4'-P energy: -110.332 tors. eta vs tors. theta energy: -213.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2239.001522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.001522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.001522 (E_RNA) where: Base-Base interactions energy: -1517.109 where: short stacking energy: -682.920 Base-Backbone interact. energy: -1.651 local terms energy: -720.241975 where: bonds (distance) C4'-P energy: -145.841 bonds (distance) P-C4' energy: -140.996 flat angles C4'-P-C4' energy: -152.238 flat angles P-C4'-P energy: -101.738 tors. eta vs tors. theta energy: -179.429 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: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1969.362231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.362231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.362231 (E_RNA) where: Base-Base interactions energy: -1308.391 where: short stacking energy: -579.603 Base-Backbone interact. energy: -2.621 local terms energy: -658.349682 where: bonds (distance) C4'-P energy: -138.780 bonds (distance) P-C4' energy: -140.674 flat angles C4'-P-C4' energy: -161.988 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -145.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1292.882115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.882115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.882115 (E_RNA) where: Base-Base interactions energy: -747.591 where: short stacking energy: -375.856 Base-Backbone interact. energy: 2.777 local terms energy: -548.067570 where: bonds (distance) C4'-P energy: -135.775 bonds (distance) P-C4' energy: -147.670 flat angles C4'-P-C4' energy: -120.616 flat angles P-C4'-P energy: -94.416 tors. eta vs tors. theta energy: -49.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -826.611783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.611783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.611783 (E_RNA) where: Base-Base interactions energy: -405.759 where: short stacking energy: -280.832 Base-Backbone interact. energy: -1.196 local terms energy: -419.656364 where: bonds (distance) C4'-P energy: -134.924 bonds (distance) P-C4' energy: -127.402 flat angles C4'-P-C4' energy: -128.823 flat angles P-C4'-P energy: -36.437 tors. eta vs tors. theta energy: 7.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3129.727621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.727621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.727621 (E_RNA) where: Base-Base interactions energy: -2180.641 where: short stacking energy: -939.115 Base-Backbone interact. energy: -5.445 local terms energy: -943.642242 where: bonds (distance) C4'-P energy: -162.902 bonds (distance) P-C4' energy: -184.950 flat angles C4'-P-C4' energy: -192.608 flat angles P-C4'-P energy: -135.408 tors. eta vs tors. theta energy: -267.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2986.274854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.274854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.274854 (E_RNA) where: Base-Base interactions energy: -2045.897 where: short stacking energy: -896.392 Base-Backbone interact. energy: -4.567 local terms energy: -935.810289 where: bonds (distance) C4'-P energy: -176.431 bonds (distance) P-C4' energy: -172.594 flat angles C4'-P-C4' energy: -186.618 flat angles P-C4'-P energy: -129.566 tors. eta vs tors. theta energy: -270.601 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: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2887.679689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.679689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.679689 (E_RNA) where: Base-Base interactions energy: -1984.166 where: short stacking energy: -882.416 Base-Backbone interact. energy: -2.901 local terms energy: -900.612936 where: bonds (distance) C4'-P energy: -160.160 bonds (distance) P-C4' energy: -164.385 flat angles C4'-P-C4' energy: -181.912 flat angles P-C4'-P energy: -124.370 tors. eta vs tors. theta energy: -269.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2702.801750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.801750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.801750 (E_RNA) where: Base-Base interactions energy: -1864.777 where: short stacking energy: -798.758 Base-Backbone interact. energy: 0.994 local terms energy: -839.018267 where: bonds (distance) C4'-P energy: -155.780 bonds (distance) P-C4' energy: -170.073 flat angles C4'-P-C4' energy: -159.693 flat angles P-C4'-P energy: -117.608 tors. eta vs tors. theta energy: -235.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2647.214033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.214033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.214033 (E_RNA) where: Base-Base interactions energy: -1812.800 where: short stacking energy: -816.040 Base-Backbone interact. energy: -0.992 local terms energy: -833.421975 where: bonds (distance) C4'-P energy: -148.464 bonds (distance) P-C4' energy: -158.111 flat angles C4'-P-C4' energy: -177.735 flat angles P-C4'-P energy: -112.461 tors. eta vs tors. theta energy: -236.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2563.895596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.895596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.895596 (E_RNA) where: Base-Base interactions energy: -1794.671 where: short stacking energy: -784.710 Base-Backbone interact. energy: 1.763 local terms energy: -770.987203 where: bonds (distance) C4'-P energy: -132.193 bonds (distance) P-C4' energy: -154.018 flat angles C4'-P-C4' energy: -167.158 flat angles P-C4'-P energy: -96.508 tors. eta vs tors. theta energy: -221.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2183.419031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.419031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.419031 (E_RNA) where: Base-Base interactions energy: -1489.849 where: short stacking energy: -678.355 Base-Backbone interact. energy: 0.656 local terms energy: -694.225623 where: bonds (distance) C4'-P energy: -116.615 bonds (distance) P-C4' energy: -138.593 flat angles C4'-P-C4' energy: -167.335 flat angles P-C4'-P energy: -91.200 tors. eta vs tors. theta energy: -180.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1934.902259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.902259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.902259 (E_RNA) where: Base-Base interactions energy: -1306.446 where: short stacking energy: -602.655 Base-Backbone interact. energy: 1.602 local terms energy: -630.058570 where: bonds (distance) C4'-P energy: -122.906 bonds (distance) P-C4' energy: -145.103 flat angles C4'-P-C4' energy: -147.623 flat angles P-C4'-P energy: -78.182 tors. eta vs tors. theta energy: -136.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1283.428168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.428168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.428168 (E_RNA) where: Base-Base interactions energy: -737.231 where: short stacking energy: -351.641 Base-Backbone interact. energy: 2.338 local terms energy: -548.535120 where: bonds (distance) C4'-P energy: -146.450 bonds (distance) P-C4' energy: -136.446 flat angles C4'-P-C4' energy: -131.627 flat angles P-C4'-P energy: -91.265 tors. eta vs tors. theta energy: -42.748 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: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -816.731846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.731846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.731846 (E_RNA) where: Base-Base interactions energy: -386.856 where: short stacking energy: -264.693 Base-Backbone interact. energy: 0.930 local terms energy: -430.805845 where: bonds (distance) C4'-P energy: -127.900 bonds (distance) P-C4' energy: -134.618 flat angles C4'-P-C4' energy: -112.721 flat angles P-C4'-P energy: -68.653 tors. eta vs tors. theta energy: 13.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3123.687783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.687783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.687783 (E_RNA) where: Base-Base interactions energy: -2183.559 where: short stacking energy: -921.437 Base-Backbone interact. energy: -4.766 local terms energy: -935.363024 where: bonds (distance) C4'-P energy: -171.045 bonds (distance) P-C4' energy: -166.426 flat angles C4'-P-C4' energy: -181.873 flat angles P-C4'-P energy: -142.025 tors. eta vs tors. theta energy: -273.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -3007.193617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.193617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.193617 (E_RNA) where: Base-Base interactions energy: -2089.568 where: short stacking energy: -921.800 Base-Backbone interact. energy: -5.831 local terms energy: -911.794058 where: bonds (distance) C4'-P energy: -150.333 bonds (distance) P-C4' energy: -164.578 flat angles C4'-P-C4' energy: -192.981 flat angles P-C4'-P energy: -121.364 tors. eta vs tors. theta energy: -282.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2921.041580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.041580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.041580 (E_RNA) where: Base-Base interactions energy: -2039.454 where: short stacking energy: -908.691 Base-Backbone interact. energy: -3.441 local terms energy: -878.146731 where: bonds (distance) C4'-P energy: -145.903 bonds (distance) P-C4' energy: -148.304 flat angles C4'-P-C4' energy: -187.603 flat angles P-C4'-P energy: -120.052 tors. eta vs tors. theta energy: -276.285 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: 234 Temperature: 1.050000 Total energy: -2721.550758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.550758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.550758 (E_RNA) where: Base-Base interactions energy: -1910.120 where: short stacking energy: -814.528 Base-Backbone interact. energy: -5.041 local terms energy: -806.390101 where: bonds (distance) C4'-P energy: -149.314 bonds (distance) P-C4' energy: -141.782 flat angles C4'-P-C4' energy: -179.568 flat angles P-C4'-P energy: -104.310 tors. eta vs tors. theta energy: -231.417 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: 5, replica: 8 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2681.627342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.627342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.627342 (E_RNA) where: Base-Base interactions energy: -1843.614 where: short stacking energy: -838.174 Base-Backbone interact. energy: -2.294 local terms energy: -835.719626 where: bonds (distance) C4'-P energy: -147.737 bonds (distance) P-C4' energy: -145.255 flat angles C4'-P-C4' energy: -188.825 flat angles P-C4'-P energy: -117.785 tors. eta vs tors. theta energy: -236.117 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: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2594.649819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.649819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.649819 (E_RNA) where: Base-Base interactions energy: -1843.321 where: short stacking energy: -823.582 Base-Backbone interact. energy: -0.703 local terms energy: -750.625030 where: bonds (distance) C4'-P energy: -115.620 bonds (distance) P-C4' energy: -136.822 flat angles C4'-P-C4' energy: -154.057 flat angles P-C4'-P energy: -115.711 tors. eta vs tors. theta energy: -228.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2318.440312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.440312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.440312 (E_RNA) where: Base-Base interactions energy: -1566.217 where: short stacking energy: -696.712 Base-Backbone interact. energy: -2.695 local terms energy: -749.528456 where: bonds (distance) C4'-P energy: -154.138 bonds (distance) P-C4' energy: -149.134 flat angles C4'-P-C4' energy: -168.638 flat angles P-C4'-P energy: -91.529 tors. eta vs tors. theta energy: -186.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -2046.991154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.991154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.991154 (E_RNA) where: Base-Base interactions energy: -1398.403 where: short stacking energy: -632.330 Base-Backbone interact. energy: -0.243 local terms energy: -648.345401 where: bonds (distance) C4'-P energy: -136.620 bonds (distance) P-C4' energy: -128.026 flat angles C4'-P-C4' energy: -135.448 flat angles P-C4'-P energy: -84.007 tors. eta vs tors. theta energy: -164.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1243.099990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.099990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.099990 (E_RNA) where: Base-Base interactions energy: -766.331 where: short stacking energy: -387.192 Base-Backbone interact. energy: 1.019 local terms energy: -477.787663 where: bonds (distance) C4'-P energy: -128.044 bonds (distance) P-C4' energy: -119.075 flat angles C4'-P-C4' energy: -122.968 flat angles P-C4'-P energy: -67.301 tors. eta vs tors. theta energy: -40.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -823.896061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.896061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.896061 (E_RNA) where: Base-Base interactions energy: -390.748 where: short stacking energy: -239.632 Base-Backbone interact. energy: -3.078 local terms energy: -430.070814 where: bonds (distance) C4'-P energy: -117.976 bonds (distance) P-C4' energy: -146.908 flat angles C4'-P-C4' energy: -134.052 flat angles P-C4'-P energy: -43.942 tors. eta vs tors. theta energy: 12.807 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: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3144.208673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.208673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.208673 (E_RNA) where: Base-Base interactions energy: -2209.670 where: short stacking energy: -956.608 Base-Backbone interact. energy: -4.623 local terms energy: -929.915898 where: bonds (distance) C4'-P energy: -169.455 bonds (distance) P-C4' energy: -160.333 flat angles C4'-P-C4' energy: -196.182 flat angles P-C4'-P energy: -130.499 tors. eta vs tors. theta energy: -273.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -3012.848240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.848240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.848240 (E_RNA) where: Base-Base interactions energy: -2089.507 where: short stacking energy: -950.177 Base-Backbone interact. energy: -4.365 local terms energy: -918.976393 where: bonds (distance) C4'-P energy: -159.672 bonds (distance) P-C4' energy: -141.707 flat angles C4'-P-C4' energy: -196.872 flat angles P-C4'-P energy: -138.271 tors. eta vs tors. theta energy: -282.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2923.328518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.328518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.328518 (E_RNA) where: Base-Base interactions energy: -2031.481 where: short stacking energy: -893.107 Base-Backbone interact. energy: 1.350 local terms energy: -893.197130 where: bonds (distance) C4'-P energy: -158.137 bonds (distance) P-C4' energy: -166.583 flat angles C4'-P-C4' energy: -182.279 flat angles P-C4'-P energy: -114.881 tors. eta vs tors. theta energy: -271.316 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: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2717.071367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.071367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.071367 (E_RNA) where: Base-Base interactions energy: -1878.498 where: short stacking energy: -813.322 Base-Backbone interact. energy: -0.456 local terms energy: -838.117021 where: bonds (distance) C4'-P energy: -157.256 bonds (distance) P-C4' energy: -167.763 flat angles C4'-P-C4' energy: -180.014 flat angles P-C4'-P energy: -107.399 tors. eta vs tors. theta energy: -225.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2621.203585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.203585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.203585 (E_RNA) where: Base-Base interactions energy: -1832.274 where: short stacking energy: -782.964 Base-Backbone interact. energy: -3.244 local terms energy: -785.684729 where: bonds (distance) C4'-P energy: -126.758 bonds (distance) P-C4' energy: -164.278 flat angles C4'-P-C4' energy: -179.266 flat angles P-C4'-P energy: -102.510 tors. eta vs tors. theta energy: -212.873 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: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2573.330535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.330535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.330535 (E_RNA) where: Base-Base interactions energy: -1774.839 where: short stacking energy: -799.553 Base-Backbone interact. energy: -0.915 local terms energy: -797.576553 where: bonds (distance) C4'-P energy: -143.107 bonds (distance) P-C4' energy: -142.701 flat angles C4'-P-C4' energy: -183.696 flat angles P-C4'-P energy: -93.740 tors. eta vs tors. theta energy: -234.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2292.304359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.304359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.304359 (E_RNA) where: Base-Base interactions energy: -1614.443 where: short stacking energy: -683.575 Base-Backbone interact. energy: 4.711 local terms energy: -682.572238 where: bonds (distance) C4'-P energy: -135.025 bonds (distance) P-C4' energy: -131.151 flat angles C4'-P-C4' energy: -141.472 flat angles P-C4'-P energy: -84.709 tors. eta vs tors. theta energy: -190.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -2061.544819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.544819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.544819 (E_RNA) where: Base-Base interactions energy: -1369.394 where: short stacking energy: -636.891 Base-Backbone interact. energy: 0.482 local terms energy: -692.633084 where: bonds (distance) C4'-P energy: -128.694 bonds (distance) P-C4' energy: -159.318 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -84.576 tors. eta vs tors. theta energy: -167.858 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: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1281.898122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.898122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.898122 (E_RNA) where: Base-Base interactions energy: -750.533 where: short stacking energy: -377.722 Base-Backbone interact. energy: -2.213 local terms energy: -529.151755 where: bonds (distance) C4'-P energy: -135.769 bonds (distance) P-C4' energy: -138.975 flat angles C4'-P-C4' energy: -127.442 flat angles P-C4'-P energy: -57.190 tors. eta vs tors. theta energy: -69.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -831.806701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.806701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.806701 (E_RNA) where: Base-Base interactions energy: -404.770 where: short stacking energy: -228.924 Base-Backbone interact. energy: -2.854 local terms energy: -424.182900 where: bonds (distance) C4'-P energy: -125.336 bonds (distance) P-C4' energy: -117.668 flat angles C4'-P-C4' energy: -123.017 flat angles P-C4'-P energy: -68.643 tors. eta vs tors. theta energy: 10.481 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: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3121.036729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.036729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.036729 (E_RNA) where: Base-Base interactions energy: -2194.564 where: short stacking energy: -938.791 Base-Backbone interact. energy: -2.048 local terms energy: -924.425100 where: bonds (distance) C4'-P energy: -156.696 bonds (distance) P-C4' energy: -173.195 flat angles C4'-P-C4' energy: -200.638 flat angles P-C4'-P energy: -120.108 tors. eta vs tors. theta energy: -273.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -3018.783744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.783744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.783744 (E_RNA) where: Base-Base interactions energy: -2095.662 where: short stacking energy: -927.853 Base-Backbone interact. energy: -4.450 local terms energy: -918.671338 where: bonds (distance) C4'-P energy: -150.970 bonds (distance) P-C4' energy: -152.268 flat angles C4'-P-C4' energy: -204.167 flat angles P-C4'-P energy: -122.790 tors. eta vs tors. theta energy: -288.477 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: 4 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2900.837696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.837696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.837696 (E_RNA) where: Base-Base interactions energy: -2010.830 where: short stacking energy: -848.707 Base-Backbone interact. energy: -4.119 local terms energy: -885.888124 where: bonds (distance) C4'-P energy: -166.886 bonds (distance) P-C4' energy: -156.349 flat angles C4'-P-C4' energy: -177.251 flat angles P-C4'-P energy: -119.361 tors. eta vs tors. theta energy: -266.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2740.562839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.562839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.562839 (E_RNA) where: Base-Base interactions energy: -1867.000 where: short stacking energy: -846.925 Base-Backbone interact. energy: -3.103 local terms energy: -870.459579 where: bonds (distance) C4'-P energy: -156.770 bonds (distance) P-C4' energy: -157.606 flat angles C4'-P-C4' energy: -177.655 flat angles P-C4'-P energy: -125.041 tors. eta vs tors. theta energy: -253.388 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: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2673.374200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.374200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.374200 (E_RNA) where: Base-Base interactions energy: -1833.301 where: short stacking energy: -788.084 Base-Backbone interact. energy: -0.814 local terms energy: -839.259247 where: bonds (distance) C4'-P energy: -155.860 bonds (distance) P-C4' energy: -158.381 flat angles C4'-P-C4' energy: -181.761 flat angles P-C4'-P energy: -117.913 tors. eta vs tors. theta energy: -225.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2563.161159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.161159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.161159 (E_RNA) where: Base-Base interactions energy: -1775.567 where: short stacking energy: -788.214 Base-Backbone interact. energy: -1.847 local terms energy: -785.746913 where: bonds (distance) C4'-P energy: -134.464 bonds (distance) P-C4' energy: -125.348 flat angles C4'-P-C4' energy: -166.674 flat angles P-C4'-P energy: -117.997 tors. eta vs tors. theta energy: -241.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2324.789957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.789957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.789957 (E_RNA) where: Base-Base interactions energy: -1613.186 where: short stacking energy: -721.973 Base-Backbone interact. energy: 8.862 local terms energy: -720.466341 where: bonds (distance) C4'-P energy: -128.102 bonds (distance) P-C4' energy: -138.507 flat angles C4'-P-C4' energy: -148.377 flat angles P-C4'-P energy: -120.034 tors. eta vs tors. theta energy: -185.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -2047.012152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.012152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.012152 (E_RNA) where: Base-Base interactions energy: -1379.404 where: short stacking energy: -617.525 Base-Backbone interact. energy: -2.737 local terms energy: -664.870832 where: bonds (distance) C4'-P energy: -133.986 bonds (distance) P-C4' energy: -126.334 flat angles C4'-P-C4' energy: -148.204 flat angles P-C4'-P energy: -106.130 tors. eta vs tors. theta energy: -150.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1199.774016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.774016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.774016 (E_RNA) where: Base-Base interactions energy: -685.069 where: short stacking energy: -321.325 Base-Backbone interact. energy: -4.244 local terms energy: -510.460961 where: bonds (distance) C4'-P energy: -120.861 bonds (distance) P-C4' energy: -148.689 flat angles C4'-P-C4' energy: -122.332 flat angles P-C4'-P energy: -85.340 tors. eta vs tors. theta energy: -33.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -772.074118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.074118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.074118 (E_RNA) where: Base-Base interactions energy: -312.003 where: short stacking energy: -246.724 Base-Backbone interact. energy: -0.343 local terms energy: -459.727881 where: bonds (distance) C4'-P energy: -120.400 bonds (distance) P-C4' energy: -146.729 flat angles C4'-P-C4' energy: -118.177 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: 1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3125.445659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.445659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.445659 (E_RNA) where: Base-Base interactions energy: -2182.250 where: short stacking energy: -941.249 Base-Backbone interact. energy: -6.554 local terms energy: -936.642195 where: bonds (distance) C4'-P energy: -165.821 bonds (distance) P-C4' energy: -173.311 flat angles C4'-P-C4' energy: -189.372 flat angles P-C4'-P energy: -141.123 tors. eta vs tors. theta energy: -267.015 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: 4 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2967.085375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.085375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.085375 (E_RNA) where: Base-Base interactions energy: -2061.693 where: short stacking energy: -928.819 Base-Backbone interact. energy: -3.856 local terms energy: -901.536864 where: bonds (distance) C4'-P energy: -168.295 bonds (distance) P-C4' energy: -160.799 flat angles C4'-P-C4' energy: -186.724 flat angles P-C4'-P energy: -127.651 tors. eta vs tors. theta energy: -258.067 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: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2917.315989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.315989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.315989 (E_RNA) where: Base-Base interactions energy: -2033.084 where: short stacking energy: -884.917 Base-Backbone interact. energy: 1.456 local terms energy: -885.688266 where: bonds (distance) C4'-P energy: -161.592 bonds (distance) P-C4' energy: -154.544 flat angles C4'-P-C4' energy: -187.575 flat angles P-C4'-P energy: -117.690 tors. eta vs tors. theta energy: -264.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2716.496303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.496303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.496303 (E_RNA) where: Base-Base interactions energy: -1901.549 where: short stacking energy: -862.433 Base-Backbone interact. energy: -0.665 local terms energy: -814.282300 where: bonds (distance) C4'-P energy: -137.460 bonds (distance) P-C4' energy: -148.964 flat angles C4'-P-C4' energy: -170.234 flat angles P-C4'-P energy: -116.545 tors. eta vs tors. theta energy: -241.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2658.045863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.045863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.045863 (E_RNA) where: Base-Base interactions energy: -1886.823 where: short stacking energy: -834.731 Base-Backbone interact. energy: 0.119 local terms energy: -771.342089 where: bonds (distance) C4'-P energy: -138.725 bonds (distance) P-C4' energy: -141.644 flat angles C4'-P-C4' energy: -160.356 flat angles P-C4'-P energy: -102.757 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: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2601.547005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.547005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.547005 (E_RNA) where: Base-Base interactions energy: -1808.215 where: short stacking energy: -771.748 Base-Backbone interact. energy: 0.482 local terms energy: -793.814119 where: bonds (distance) C4'-P energy: -143.348 bonds (distance) P-C4' energy: -140.256 flat angles C4'-P-C4' energy: -167.543 flat angles P-C4'-P energy: -118.097 tors. eta vs tors. theta energy: -224.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2324.631084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.631084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.631084 (E_RNA) where: Base-Base interactions energy: -1601.688 where: short stacking energy: -710.776 Base-Backbone interact. energy: -0.121 local terms energy: -722.822175 where: bonds (distance) C4'-P energy: -123.873 bonds (distance) P-C4' energy: -145.257 flat angles C4'-P-C4' energy: -161.473 flat angles P-C4'-P energy: -96.256 tors. eta vs tors. theta energy: -195.963 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: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -2025.010298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.010298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.010298 (E_RNA) where: Base-Base interactions energy: -1364.097 where: short stacking energy: -625.091 Base-Backbone interact. energy: 0.580 local terms energy: -661.493230 where: bonds (distance) C4'-P energy: -127.801 bonds (distance) P-C4' energy: -131.151 flat angles C4'-P-C4' energy: -142.624 flat angles P-C4'-P energy: -103.613 tors. eta vs tors. theta energy: -156.304 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: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1204.181248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.181248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.181248 (E_RNA) where: Base-Base interactions energy: -721.580 where: short stacking energy: -364.684 Base-Backbone interact. energy: 0.334 local terms energy: -482.935411 where: bonds (distance) C4'-P energy: -122.804 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -125.295 flat angles P-C4'-P energy: -80.433 tors. eta vs tors. theta energy: -37.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -742.735475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.735475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.735475 (E_RNA) where: Base-Base interactions energy: -303.472 where: short stacking energy: -211.059 Base-Backbone interact. energy: -2.297 local terms energy: -436.966337 where: bonds (distance) C4'-P energy: -132.535 bonds (distance) P-C4' energy: -163.119 flat angles C4'-P-C4' energy: -106.446 flat angles P-C4'-P energy: -56.517 tors. eta vs tors. theta energy: 21.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3113.275046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.275046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.275046 (E_RNA) where: Base-Base interactions energy: -2159.049 where: short stacking energy: -924.040 Base-Backbone interact. energy: -6.818 local terms energy: -947.408276 where: bonds (distance) C4'-P energy: -176.150 bonds (distance) P-C4' energy: -160.443 flat angles C4'-P-C4' energy: -198.520 flat angles P-C4'-P energy: -139.009 tors. eta vs tors. theta energy: -273.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2970.099221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.099221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.099221 (E_RNA) where: Base-Base interactions energy: -2044.540 where: short stacking energy: -908.126 Base-Backbone interact. energy: -3.755 local terms energy: -921.804038 where: bonds (distance) C4'-P energy: -183.967 bonds (distance) P-C4' energy: -160.401 flat angles C4'-P-C4' energy: -181.333 flat angles P-C4'-P energy: -128.278 tors. eta vs tors. theta energy: -267.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2962.231462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.231462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.231462 (E_RNA) where: Base-Base interactions energy: -2046.437 where: short stacking energy: -881.084 Base-Backbone interact. energy: -5.444 local terms energy: -910.350528 where: bonds (distance) C4'-P energy: -172.992 bonds (distance) P-C4' energy: -160.968 flat angles C4'-P-C4' energy: -182.610 flat angles P-C4'-P energy: -118.524 tors. eta vs tors. theta energy: -275.256 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: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2799.438700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.438700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.438700 (E_RNA) where: Base-Base interactions energy: -1940.851 where: short stacking energy: -849.385 Base-Backbone interact. energy: 4.289 local terms energy: -862.876844 where: bonds (distance) C4'-P energy: -156.894 bonds (distance) P-C4' energy: -159.859 flat angles C4'-P-C4' energy: -184.514 flat angles P-C4'-P energy: -125.851 tors. eta vs tors. theta energy: -235.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2693.639914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.639914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.639914 (E_RNA) where: Base-Base interactions energy: -1886.113 where: short stacking energy: -858.546 Base-Backbone interact. energy: -2.888 local terms energy: -804.638778 where: bonds (distance) C4'-P energy: -134.034 bonds (distance) P-C4' energy: -136.912 flat angles C4'-P-C4' energy: -173.540 flat angles P-C4'-P energy: -117.938 tors. eta vs tors. theta energy: -242.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2584.048311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.048311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.048311 (E_RNA) where: Base-Base interactions energy: -1824.580 where: short stacking energy: -778.604 Base-Backbone interact. energy: -0.025 local terms energy: -759.443940 where: bonds (distance) C4'-P energy: -145.091 bonds (distance) P-C4' energy: -154.883 flat angles C4'-P-C4' energy: -166.591 flat angles P-C4'-P energy: -85.699 tors. eta vs tors. theta energy: -207.180 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: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2326.343380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.343380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.343380 (E_RNA) where: Base-Base interactions energy: -1588.151 where: short stacking energy: -693.609 Base-Backbone interact. energy: -2.471 local terms energy: -735.722250 where: bonds (distance) C4'-P energy: -135.906 bonds (distance) P-C4' energy: -134.434 flat angles C4'-P-C4' energy: -159.367 flat angles P-C4'-P energy: -114.443 tors. eta vs tors. theta energy: -191.572 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: 238 Temperature: 1.250000 Total energy: -1960.381254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.381254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.381254 (E_RNA) where: Base-Base interactions energy: -1320.530 where: short stacking energy: -604.084 Base-Backbone interact. energy: -2.436 local terms energy: -637.415672 where: bonds (distance) C4'-P energy: -118.119 bonds (distance) P-C4' energy: -140.506 flat angles C4'-P-C4' energy: -141.447 flat angles P-C4'-P energy: -93.289 tors. eta vs tors. theta energy: -144.054 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: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1221.924352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.924352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.924352 (E_RNA) where: Base-Base interactions energy: -746.906 where: short stacking energy: -388.599 Base-Backbone interact. energy: -3.174 local terms energy: -471.843662 where: bonds (distance) C4'-P energy: -129.644 bonds (distance) P-C4' energy: -120.949 flat angles C4'-P-C4' energy: -128.647 flat angles P-C4'-P energy: -57.205 tors. eta vs tors. theta energy: -35.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -816.182540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.182540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.182540 (E_RNA) where: Base-Base interactions energy: -370.409 where: short stacking energy: -240.746 Base-Backbone interact. energy: 2.007 local terms energy: -447.780657 where: bonds (distance) C4'-P energy: -145.837 bonds (distance) P-C4' energy: -125.768 flat angles C4'-P-C4' energy: -103.267 flat angles P-C4'-P energy: -85.888 tors. eta vs tors. theta energy: 12.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3089.834982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.834982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.834982 (E_RNA) where: Base-Base interactions energy: -2176.986 where: short stacking energy: -945.506 Base-Backbone interact. energy: -3.951 local terms energy: -908.898193 where: bonds (distance) C4'-P energy: -152.260 bonds (distance) P-C4' energy: -162.851 flat angles C4'-P-C4' energy: -197.386 flat angles P-C4'-P energy: -121.466 tors. eta vs tors. theta energy: -274.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2987.950965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.950965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.950965 (E_RNA) where: Base-Base interactions energy: -2091.411 where: short stacking energy: -912.799 Base-Backbone interact. energy: -1.887 local terms energy: -894.652998 where: bonds (distance) C4'-P energy: -154.116 bonds (distance) P-C4' energy: -161.342 flat angles C4'-P-C4' energy: -186.762 flat angles P-C4'-P energy: -121.649 tors. eta vs tors. theta energy: -270.784 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: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2943.001097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.001097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.001097 (E_RNA) where: Base-Base interactions energy: -2072.121 where: short stacking energy: -904.878 Base-Backbone interact. energy: -1.080 local terms energy: -869.799790 where: bonds (distance) C4'-P energy: -158.606 bonds (distance) P-C4' energy: -145.097 flat angles C4'-P-C4' energy: -181.841 flat angles P-C4'-P energy: -118.568 tors. eta vs tors. theta energy: -265.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2772.753134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.753134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.753134 (E_RNA) where: Base-Base interactions energy: -1938.909 where: short stacking energy: -839.438 Base-Backbone interact. energy: -3.668 local terms energy: -830.176714 where: bonds (distance) C4'-P energy: -150.511 bonds (distance) P-C4' energy: -144.850 flat angles C4'-P-C4' energy: -177.481 flat angles P-C4'-P energy: -121.171 tors. eta vs tors. theta energy: -236.164 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: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2643.757788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.757788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.757788 (E_RNA) where: Base-Base interactions energy: -1845.348 where: short stacking energy: -824.791 Base-Backbone interact. energy: -3.904 local terms energy: -794.506082 where: bonds (distance) C4'-P energy: -129.893 bonds (distance) P-C4' energy: -130.597 flat angles C4'-P-C4' energy: -169.267 flat angles P-C4'-P energy: -115.143 tors. eta vs tors. theta energy: -249.606 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: 7 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2522.650735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.650735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.650735 (E_RNA) where: Base-Base interactions energy: -1772.489 where: short stacking energy: -765.903 Base-Backbone interact. energy: -0.537 local terms energy: -749.624232 where: bonds (distance) C4'-P energy: -139.346 bonds (distance) P-C4' energy: -148.871 flat angles C4'-P-C4' energy: -167.368 flat angles P-C4'-P energy: -98.157 tors. eta vs tors. theta energy: -195.883 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: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2270.925526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.925526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.925526 (E_RNA) where: Base-Base interactions energy: -1532.215 where: short stacking energy: -694.863 Base-Backbone interact. energy: -0.392 local terms energy: -738.317813 where: bonds (distance) C4'-P energy: -132.934 bonds (distance) P-C4' energy: -146.995 flat angles C4'-P-C4' energy: -177.876 flat angles P-C4'-P energy: -94.120 tors. eta vs tors. theta energy: -186.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1990.066364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.066364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.066364 (E_RNA) where: Base-Base interactions energy: -1337.397 where: short stacking energy: -619.107 Base-Backbone interact. energy: -2.714 local terms energy: -649.955818 where: bonds (distance) C4'-P energy: -122.202 bonds (distance) P-C4' energy: -125.203 flat angles C4'-P-C4' energy: -149.565 flat angles P-C4'-P energy: -95.202 tors. eta vs tors. theta energy: -157.784 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: 10 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1281.710255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.710255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.710255 (E_RNA) where: Base-Base interactions energy: -745.392 where: short stacking energy: -412.488 Base-Backbone interact. energy: 2.538 local terms energy: -538.856743 where: bonds (distance) C4'-P energy: -130.654 bonds (distance) P-C4' energy: -125.315 flat angles C4'-P-C4' energy: -126.017 flat angles P-C4'-P energy: -95.698 tors. eta vs tors. theta energy: -61.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -923.143459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.143459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.143459 (E_RNA) where: Base-Base interactions energy: -424.709 where: short stacking energy: -267.332 Base-Backbone interact. energy: -4.411 local terms energy: -494.024226 where: bonds (distance) C4'-P energy: -142.910 bonds (distance) P-C4' energy: -140.087 flat angles C4'-P-C4' energy: -130.039 flat angles P-C4'-P energy: -65.097 tors. eta vs tors. theta energy: -15.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3117.440978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.440978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.440978 (E_RNA) where: Base-Base interactions energy: -2173.939 where: short stacking energy: -953.049 Base-Backbone interact. energy: -5.164 local terms energy: -938.338421 where: bonds (distance) C4'-P energy: -174.452 bonds (distance) P-C4' energy: -157.492 flat angles C4'-P-C4' energy: -203.548 flat angles P-C4'-P energy: -131.914 tors. eta vs tors. theta energy: -270.933 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: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2951.371761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.371761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.371761 (E_RNA) where: Base-Base interactions energy: -2032.816 where: short stacking energy: -906.630 Base-Backbone interact. energy: -4.926 local terms energy: -913.629675 where: bonds (distance) C4'-P energy: -155.792 bonds (distance) P-C4' energy: -153.593 flat angles C4'-P-C4' energy: -187.023 flat angles P-C4'-P energy: -146.160 tors. eta vs tors. theta energy: -271.061 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: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2980.954526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.954526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.954526 (E_RNA) where: Base-Base interactions energy: -2099.645 where: short stacking energy: -900.601 Base-Backbone interact. energy: -1.354 local terms energy: -879.955742 where: bonds (distance) C4'-P energy: -165.523 bonds (distance) P-C4' energy: -153.294 flat angles C4'-P-C4' energy: -187.673 flat angles P-C4'-P energy: -111.848 tors. eta vs tors. theta energy: -261.618 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: 240 Temperature: 1.050000 Total energy: -2767.205314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.205314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.205314 (E_RNA) where: Base-Base interactions energy: -1905.887 where: short stacking energy: -849.163 Base-Backbone interact. energy: -4.927 local terms energy: -856.391893 where: bonds (distance) C4'-P energy: -146.634 bonds (distance) P-C4' energy: -162.335 flat angles C4'-P-C4' energy: -193.296 flat angles P-C4'-P energy: -117.319 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: 240 Temperature: 1.100000 Total energy: -2631.249478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.249478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.249478 (E_RNA) where: Base-Base interactions energy: -1820.270 where: short stacking energy: -835.042 Base-Backbone interact. energy: -1.917 local terms energy: -809.062646 where: bonds (distance) C4'-P energy: -142.791 bonds (distance) P-C4' energy: -134.741 flat angles C4'-P-C4' energy: -181.807 flat angles P-C4'-P energy: -108.619 tors. eta vs tors. theta energy: -241.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2540.934089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.934089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.934089 (E_RNA) where: Base-Base interactions energy: -1761.950 where: short stacking energy: -770.348 Base-Backbone interact. energy: -2.928 local terms energy: -776.056232 where: bonds (distance) C4'-P energy: -130.191 bonds (distance) P-C4' energy: -166.116 flat angles C4'-P-C4' energy: -166.277 flat angles P-C4'-P energy: -104.962 tors. eta vs tors. theta energy: -208.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2283.858522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.858522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.858522 (E_RNA) where: Base-Base interactions energy: -1537.449 where: short stacking energy: -682.622 Base-Backbone interact. energy: -0.260 local terms energy: -746.149688 where: bonds (distance) C4'-P energy: -147.789 bonds (distance) P-C4' energy: -147.303 flat angles C4'-P-C4' energy: -168.587 flat angles P-C4'-P energy: -98.926 tors. eta vs tors. theta energy: -183.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -2015.138549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.138549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.138549 (E_RNA) where: Base-Base interactions energy: -1363.929 where: short stacking energy: -643.386 Base-Backbone interact. energy: -2.237 local terms energy: -648.972565 where: bonds (distance) C4'-P energy: -111.865 bonds (distance) P-C4' energy: -125.378 flat angles C4'-P-C4' energy: -146.497 flat angles P-C4'-P energy: -102.699 tors. eta vs tors. theta energy: -162.534 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: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1293.736194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.736194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.736194 (E_RNA) where: Base-Base interactions energy: -782.476 where: short stacking energy: -396.064 Base-Backbone interact. energy: -0.501 local terms energy: -510.758585 where: bonds (distance) C4'-P energy: -139.822 bonds (distance) P-C4' energy: -141.500 flat angles C4'-P-C4' energy: -112.714 flat angles P-C4'-P energy: -77.905 tors. eta vs tors. theta energy: -38.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -875.221628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.221628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.221628 (E_RNA) where: Base-Base interactions energy: -420.253 where: short stacking energy: -249.662 Base-Backbone interact. energy: 0.875 local terms energy: -455.843751 where: bonds (distance) C4'-P energy: -130.288 bonds (distance) P-C4' energy: -145.475 flat angles C4'-P-C4' energy: -123.927 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: -3.878 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: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3114.816998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.816998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.816998 (E_RNA) where: Base-Base interactions energy: -2176.050 where: short stacking energy: -926.313 Base-Backbone interact. energy: -3.062 local terms energy: -935.705757 where: bonds (distance) C4'-P energy: -174.148 bonds (distance) P-C4' energy: -162.433 flat angles C4'-P-C4' energy: -178.005 flat angles P-C4'-P energy: -140.580 tors. eta vs tors. theta energy: -280.539 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: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2960.917428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.917428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.917428 (E_RNA) where: Base-Base interactions energy: -2031.533 where: short stacking energy: -895.906 Base-Backbone interact. energy: -4.291 local terms energy: -925.093224 where: bonds (distance) C4'-P energy: -168.034 bonds (distance) P-C4' energy: -162.472 flat angles C4'-P-C4' energy: -187.797 flat angles P-C4'-P energy: -133.510 tors. eta vs tors. theta energy: -273.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2948.614787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.614787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.614787 (E_RNA) where: Base-Base interactions energy: -2032.847 where: short stacking energy: -915.981 Base-Backbone interact. energy: -1.852 local terms energy: -913.915398 where: bonds (distance) C4'-P energy: -152.685 bonds (distance) P-C4' energy: -162.517 flat angles C4'-P-C4' energy: -200.547 flat angles P-C4'-P energy: -125.013 tors. eta vs tors. theta energy: -273.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2716.029590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.029590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.029590 (E_RNA) where: Base-Base interactions energy: -1891.025 where: short stacking energy: -843.460 Base-Backbone interact. energy: -0.749 local terms energy: -824.256474 where: bonds (distance) C4'-P energy: -137.263 bonds (distance) P-C4' energy: -158.843 flat angles C4'-P-C4' energy: -170.082 flat angles P-C4'-P energy: -122.734 tors. eta vs tors. theta energy: -235.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2616.386722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.386722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.386722 (E_RNA) where: Base-Base interactions energy: -1792.031 where: short stacking energy: -811.482 Base-Backbone interact. energy: -1.755 local terms energy: -822.600790 where: bonds (distance) C4'-P energy: -152.052 bonds (distance) P-C4' energy: -157.596 flat angles C4'-P-C4' energy: -172.570 flat angles P-C4'-P energy: -103.719 tors. eta vs tors. theta energy: -236.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2619.376351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.376351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.376351 (E_RNA) where: Base-Base interactions energy: -1841.457 where: short stacking energy: -778.618 Base-Backbone interact. energy: -3.815 local terms energy: -774.105183 where: bonds (distance) C4'-P energy: -140.323 bonds (distance) P-C4' energy: -135.993 flat angles C4'-P-C4' energy: -169.913 flat angles P-C4'-P energy: -115.007 tors. eta vs tors. theta energy: -212.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2249.747077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.747077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.747077 (E_RNA) where: Base-Base interactions energy: -1556.753 where: short stacking energy: -668.592 Base-Backbone interact. energy: -2.715 local terms energy: -690.279159 where: bonds (distance) C4'-P energy: -125.387 bonds (distance) P-C4' energy: -123.178 flat angles C4'-P-C4' energy: -163.298 flat angles P-C4'-P energy: -96.576 tors. eta vs tors. theta energy: -181.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -2019.285374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.285374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.285374 (E_RNA) where: Base-Base interactions energy: -1346.821 where: short stacking energy: -633.003 Base-Backbone interact. energy: -1.621 local terms energy: -670.843265 where: bonds (distance) C4'-P energy: -133.535 bonds (distance) P-C4' energy: -139.546 flat angles C4'-P-C4' energy: -150.467 flat angles P-C4'-P energy: -89.136 tors. eta vs tors. theta energy: -158.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1281.760319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.760319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.760319 (E_RNA) where: Base-Base interactions energy: -724.336 where: short stacking energy: -339.993 Base-Backbone interact. energy: 1.371 local terms energy: -558.794549 where: bonds (distance) C4'-P energy: -147.709 bonds (distance) P-C4' energy: -148.164 flat angles C4'-P-C4' energy: -132.611 flat angles P-C4'-P energy: -83.710 tors. eta vs tors. theta energy: -46.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -915.920667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.920667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.920667 (E_RNA) where: Base-Base interactions energy: -470.327 where: short stacking energy: -274.504 Base-Backbone interact. energy: -4.144 local terms energy: -441.449104 where: bonds (distance) C4'-P energy: -101.912 bonds (distance) P-C4' energy: -143.099 flat angles C4'-P-C4' energy: -105.082 flat angles P-C4'-P energy: -81.057 tors. eta vs tors. theta energy: -10.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3070.234684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.234684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.234684 (E_RNA) where: Base-Base interactions energy: -2159.821 where: short stacking energy: -921.091 Base-Backbone interact. energy: -1.978 local terms energy: -908.435854 where: bonds (distance) C4'-P energy: -160.037 bonds (distance) P-C4' energy: -157.383 flat angles C4'-P-C4' energy: -194.477 flat angles P-C4'-P energy: -134.234 tors. eta vs tors. theta energy: -262.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2983.227830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.227830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.227830 (E_RNA) where: Base-Base interactions energy: -2067.572 where: short stacking energy: -869.444 Base-Backbone interact. energy: -3.357 local terms energy: -912.299236 where: bonds (distance) C4'-P energy: -166.765 bonds (distance) P-C4' energy: -162.085 flat angles C4'-P-C4' energy: -196.087 flat angles P-C4'-P energy: -123.327 tors. eta vs tors. theta energy: -264.035 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: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2971.829675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.829675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.829675 (E_RNA) where: Base-Base interactions energy: -2076.889 where: short stacking energy: -879.350 Base-Backbone interact. energy: -0.062 local terms energy: -894.878615 where: bonds (distance) C4'-P energy: -156.542 bonds (distance) P-C4' energy: -153.493 flat angles C4'-P-C4' energy: -177.315 flat angles P-C4'-P energy: -136.734 tors. eta vs tors. theta energy: -270.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2750.155378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.155378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.155378 (E_RNA) where: Base-Base interactions energy: -1872.021 where: short stacking energy: -822.699 Base-Backbone interact. energy: -2.505 local terms energy: -875.629570 where: bonds (distance) C4'-P energy: -163.632 bonds (distance) P-C4' energy: -167.450 flat angles C4'-P-C4' energy: -181.257 flat angles P-C4'-P energy: -122.159 tors. eta vs tors. theta energy: -241.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2647.648637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.648637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.648637 (E_RNA) where: Base-Base interactions energy: -1817.448 where: short stacking energy: -805.499 Base-Backbone interact. energy: -2.320 local terms energy: -827.880629 where: bonds (distance) C4'-P energy: -136.236 bonds (distance) P-C4' energy: -156.842 flat angles C4'-P-C4' energy: -175.871 flat angles P-C4'-P energy: -123.698 tors. eta vs tors. theta energy: -235.233 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: 7 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2571.462821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.462821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.462821 (E_RNA) where: Base-Base interactions energy: -1824.136 where: short stacking energy: -773.849 Base-Backbone interact. energy: -2.112 local terms energy: -745.214587 where: bonds (distance) C4'-P energy: -124.204 bonds (distance) P-C4' energy: -125.055 flat angles C4'-P-C4' energy: -177.780 flat angles P-C4'-P energy: -100.356 tors. eta vs tors. theta energy: -217.819 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: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2309.839642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.839642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.839642 (E_RNA) where: Base-Base interactions energy: -1594.103 where: short stacking energy: -679.257 Base-Backbone interact. energy: -1.432 local terms energy: -714.304693 where: bonds (distance) C4'-P energy: -111.635 bonds (distance) P-C4' energy: -151.177 flat angles C4'-P-C4' energy: -160.507 flat angles P-C4'-P energy: -108.418 tors. eta vs tors. theta energy: -182.568 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: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -2013.300115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.300115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.300115 (E_RNA) where: Base-Base interactions energy: -1348.802 where: short stacking energy: -610.317 Base-Backbone interact. energy: 2.751 local terms energy: -667.248656 where: bonds (distance) C4'-P energy: -120.712 bonds (distance) P-C4' energy: -147.684 flat angles C4'-P-C4' energy: -158.260 flat angles P-C4'-P energy: -87.782 tors. eta vs tors. theta energy: -152.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1289.021402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.021402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.021402 (E_RNA) where: Base-Base interactions energy: -772.003 where: short stacking energy: -362.021 Base-Backbone interact. energy: 5.130 local terms energy: -522.148043 where: bonds (distance) C4'-P energy: -161.848 bonds (distance) P-C4' energy: -132.596 flat angles C4'-P-C4' energy: -119.455 flat angles P-C4'-P energy: -59.142 tors. eta vs tors. theta energy: -49.107 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: 9 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -854.544275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.544275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.544275 (E_RNA) where: Base-Base interactions energy: -434.115 where: short stacking energy: -273.756 Base-Backbone interact. energy: -1.574 local terms energy: -418.855774 where: bonds (distance) C4'-P energy: -114.748 bonds (distance) P-C4' energy: -134.655 flat angles C4'-P-C4' energy: -102.396 flat angles P-C4'-P energy: -66.687 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3110.890009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.890009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.890009 (E_RNA) where: Base-Base interactions energy: -2191.376 where: short stacking energy: -936.462 Base-Backbone interact. energy: -4.847 local terms energy: -914.666913 where: bonds (distance) C4'-P energy: -156.323 bonds (distance) P-C4' energy: -167.968 flat angles C4'-P-C4' energy: -180.935 flat angles P-C4'-P energy: -135.539 tors. eta vs tors. theta energy: -273.901 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: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -3013.089611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.089611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.089611 (E_RNA) where: Base-Base interactions energy: -2090.802 where: short stacking energy: -942.223 Base-Backbone interact. energy: -3.517 local terms energy: -918.770657 where: bonds (distance) C4'-P energy: -157.091 bonds (distance) P-C4' energy: -150.178 flat angles C4'-P-C4' energy: -197.183 flat angles P-C4'-P energy: -140.946 tors. eta vs tors. theta energy: -273.372 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: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2966.759894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.759894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.759894 (E_RNA) where: Base-Base interactions energy: -2028.887 where: short stacking energy: -908.657 Base-Backbone interact. energy: -2.729 local terms energy: -935.143420 where: bonds (distance) C4'-P energy: -165.966 bonds (distance) P-C4' energy: -170.466 flat angles C4'-P-C4' energy: -191.508 flat angles P-C4'-P energy: -132.701 tors. eta vs tors. theta energy: -274.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2758.466159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.466159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.466159 (E_RNA) where: Base-Base interactions energy: -1932.061 where: short stacking energy: -841.652 Base-Backbone interact. energy: -2.687 local terms energy: -823.718929 where: bonds (distance) C4'-P energy: -149.900 bonds (distance) P-C4' energy: -154.540 flat angles C4'-P-C4' energy: -173.955 flat angles P-C4'-P energy: -109.279 tors. eta vs tors. theta energy: -236.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2636.112131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.112131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.112131 (E_RNA) where: Base-Base interactions energy: -1829.892 where: short stacking energy: -823.747 Base-Backbone interact. energy: -5.086 local terms energy: -801.135027 where: bonds (distance) C4'-P energy: -142.102 bonds (distance) P-C4' energy: -141.928 flat angles C4'-P-C4' energy: -169.136 flat angles P-C4'-P energy: -118.504 tors. eta vs tors. theta energy: -229.465 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: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2594.372018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.372018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.372018 (E_RNA) where: Base-Base interactions energy: -1824.616 where: short stacking energy: -788.692 Base-Backbone interact. energy: -4.904 local terms energy: -764.852137 where: bonds (distance) C4'-P energy: -114.871 bonds (distance) P-C4' energy: -147.477 flat angles C4'-P-C4' energy: -163.088 flat angles P-C4'-P energy: -124.297 tors. eta vs tors. theta energy: -215.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2283.663079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.663079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.663079 (E_RNA) where: Base-Base interactions energy: -1563.264 where: short stacking energy: -670.489 Base-Backbone interact. energy: -1.192 local terms energy: -719.206756 where: bonds (distance) C4'-P energy: -134.565 bonds (distance) P-C4' energy: -143.213 flat angles C4'-P-C4' energy: -155.826 flat angles P-C4'-P energy: -101.924 tors. eta vs tors. theta energy: -183.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -2022.485372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.485372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.485372 (E_RNA) where: Base-Base interactions energy: -1357.404 where: short stacking energy: -603.527 Base-Backbone interact. energy: -0.454 local terms energy: -664.628025 where: bonds (distance) C4'-P energy: -133.076 bonds (distance) P-C4' energy: -151.422 flat angles C4'-P-C4' energy: -134.118 flat angles P-C4'-P energy: -100.920 tors. eta vs tors. theta energy: -145.092 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: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1405.112775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.112775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.112775 (E_RNA) where: Base-Base interactions energy: -842.457 where: short stacking energy: -390.020 Base-Backbone interact. energy: -3.387 local terms energy: -559.268355 where: bonds (distance) C4'-P energy: -137.427 bonds (distance) P-C4' energy: -133.973 flat angles C4'-P-C4' energy: -147.543 flat angles P-C4'-P energy: -77.956 tors. eta vs tors. theta energy: -62.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -897.334900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.334900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.334900 (E_RNA) where: Base-Base interactions energy: -477.208 where: short stacking energy: -304.059 Base-Backbone interact. energy: 4.062 local terms energy: -424.188382 where: bonds (distance) C4'-P energy: -112.362 bonds (distance) P-C4' energy: -130.470 flat angles C4'-P-C4' energy: -114.630 flat angles P-C4'-P energy: -71.199 tors. eta vs tors. theta energy: 4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3092.728458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.728458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.728458 (E_RNA) where: Base-Base interactions energy: -2162.656 where: short stacking energy: -909.084 Base-Backbone interact. energy: -0.948 local terms energy: -929.124228 where: bonds (distance) C4'-P energy: -138.111 bonds (distance) P-C4' energy: -180.297 flat angles C4'-P-C4' energy: -199.225 flat angles P-C4'-P energy: -140.820 tors. eta vs tors. theta energy: -270.671 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: 4 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2990.197222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.197222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.197222 (E_RNA) where: Base-Base interactions energy: -2075.561 where: short stacking energy: -898.265 Base-Backbone interact. energy: -4.110 local terms energy: -910.526304 where: bonds (distance) C4'-P energy: -160.567 bonds (distance) P-C4' energy: -158.852 flat angles C4'-P-C4' energy: -176.915 flat angles P-C4'-P energy: -143.226 tors. eta vs tors. theta energy: -270.966 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: 5 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2937.510302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.510302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.510302 (E_RNA) where: Base-Base interactions energy: -2037.344 where: short stacking energy: -899.154 Base-Backbone interact. energy: -2.077 local terms energy: -898.089827 where: bonds (distance) C4'-P energy: -160.526 bonds (distance) P-C4' energy: -149.024 flat angles C4'-P-C4' energy: -182.628 flat angles P-C4'-P energy: -136.183 tors. eta vs tors. theta energy: -269.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2763.203712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.203712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.203712 (E_RNA) where: Base-Base interactions energy: -1947.785 where: short stacking energy: -863.910 Base-Backbone interact. energy: -1.917 local terms energy: -813.500987 where: bonds (distance) C4'-P energy: -134.770 bonds (distance) P-C4' energy: -130.572 flat angles C4'-P-C4' energy: -181.588 flat angles P-C4'-P energy: -118.337 tors. eta vs tors. theta energy: -248.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2617.126210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.126210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.126210 (E_RNA) where: Base-Base interactions energy: -1814.817 where: short stacking energy: -789.510 Base-Backbone interact. energy: 0.959 local terms energy: -803.268528 where: bonds (distance) C4'-P energy: -149.235 bonds (distance) P-C4' energy: -138.404 flat angles C4'-P-C4' energy: -179.311 flat angles P-C4'-P energy: -127.926 tors. eta vs tors. theta energy: -208.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2566.441848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.441848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.441848 (E_RNA) where: Base-Base interactions energy: -1772.412 where: short stacking energy: -809.781 Base-Backbone interact. energy: -2.362 local terms energy: -791.667601 where: bonds (distance) C4'-P energy: -141.515 bonds (distance) P-C4' energy: -164.285 flat angles C4'-P-C4' energy: -158.894 flat angles P-C4'-P energy: -90.075 tors. eta vs tors. theta energy: -236.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2275.623445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.623445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.623445 (E_RNA) where: Base-Base interactions energy: -1587.857 where: short stacking energy: -736.418 Base-Backbone interact. energy: -2.222 local terms energy: -685.544459 where: bonds (distance) C4'-P energy: -122.876 bonds (distance) P-C4' energy: -128.941 flat angles C4'-P-C4' energy: -153.717 flat angles P-C4'-P energy: -93.112 tors. eta vs tors. theta energy: -186.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -2090.294116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.294116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.294116 (E_RNA) where: Base-Base interactions energy: -1395.363 where: short stacking energy: -613.576 Base-Backbone interact. energy: 1.250 local terms energy: -696.180748 where: bonds (distance) C4'-P energy: -147.826 bonds (distance) P-C4' energy: -121.124 flat angles C4'-P-C4' energy: -147.896 flat angles P-C4'-P energy: -105.810 tors. eta vs tors. theta energy: -173.525 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: 10 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1451.804841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.804841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.804841 (E_RNA) where: Base-Base interactions energy: -941.808 where: short stacking energy: -436.131 Base-Backbone interact. energy: -1.560 local terms energy: -508.436800 where: bonds (distance) C4'-P energy: -113.015 bonds (distance) P-C4' energy: -148.686 flat angles C4'-P-C4' energy: -108.642 flat angles P-C4'-P energy: -75.432 tors. eta vs tors. theta energy: -62.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -872.073166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.073166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.073166 (E_RNA) where: Base-Base interactions energy: -427.597 where: short stacking energy: -208.380 Base-Backbone interact. energy: -7.205 local terms energy: -437.271440 where: bonds (distance) C4'-P energy: -132.582 bonds (distance) P-C4' energy: -152.648 flat angles C4'-P-C4' energy: -115.778 flat angles P-C4'-P energy: -63.049 tors. eta vs tors. theta energy: 26.785 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: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3105.655315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.655315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.655315 (E_RNA) where: Base-Base interactions energy: -2176.648 where: short stacking energy: -935.300 Base-Backbone interact. energy: -2.838 local terms energy: -926.169312 where: bonds (distance) C4'-P energy: -161.437 bonds (distance) P-C4' energy: -166.933 flat angles C4'-P-C4' energy: -193.507 flat angles P-C4'-P energy: -135.478 tors. eta vs tors. theta energy: -268.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2991.009626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.009626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.009626 (E_RNA) where: Base-Base interactions energy: -2081.496 where: short stacking energy: -912.018 Base-Backbone interact. energy: -3.853 local terms energy: -905.660269 where: bonds (distance) C4'-P energy: -148.350 bonds (distance) P-C4' energy: -161.683 flat angles C4'-P-C4' energy: -192.619 flat angles P-C4'-P energy: -131.668 tors. eta vs tors. theta energy: -271.340 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: 245 Temperature: 1.000000 Total energy: -2947.910257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.910257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.910257 (E_RNA) where: Base-Base interactions energy: -2038.514 where: short stacking energy: -893.850 Base-Backbone interact. energy: -4.742 local terms energy: -904.653811 where: bonds (distance) C4'-P energy: -153.738 bonds (distance) P-C4' energy: -172.703 flat angles C4'-P-C4' energy: -205.007 flat angles P-C4'-P energy: -115.738 tors. eta vs tors. theta energy: -257.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2741.287432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.287432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.287432 (E_RNA) where: Base-Base interactions energy: -1884.806 where: short stacking energy: -831.780 Base-Backbone interact. energy: -0.918 local terms energy: -855.563402 where: bonds (distance) C4'-P energy: -168.547 bonds (distance) P-C4' energy: -154.137 flat angles C4'-P-C4' energy: -172.240 flat angles P-C4'-P energy: -127.935 tors. eta vs tors. theta energy: -232.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2569.188138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.188138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.188138 (E_RNA) where: Base-Base interactions energy: -1764.311 where: short stacking energy: -752.260 Base-Backbone interact. energy: -6.117 local terms energy: -798.759817 where: bonds (distance) C4'-P energy: -150.239 bonds (distance) P-C4' energy: -145.757 flat angles C4'-P-C4' energy: -174.535 flat angles P-C4'-P energy: -113.168 tors. eta vs tors. theta energy: -215.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2581.811050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.811050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.811050 (E_RNA) where: Base-Base interactions energy: -1791.377 where: short stacking energy: -780.193 Base-Backbone interact. energy: -1.712 local terms energy: -788.722275 where: bonds (distance) C4'-P energy: -142.536 bonds (distance) P-C4' energy: -150.946 flat angles C4'-P-C4' energy: -158.932 flat angles P-C4'-P energy: -112.156 tors. eta vs tors. theta energy: -224.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2273.555309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.555309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.555309 (E_RNA) where: Base-Base interactions energy: -1569.984 where: short stacking energy: -670.484 Base-Backbone interact. energy: 1.302 local terms energy: -704.873330 where: bonds (distance) C4'-P energy: -133.294 bonds (distance) P-C4' energy: -139.040 flat angles C4'-P-C4' energy: -140.386 flat angles P-C4'-P energy: -110.153 tors. eta vs tors. theta energy: -182.001 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: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -2005.479444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.479444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.479444 (E_RNA) where: Base-Base interactions energy: -1340.026 where: short stacking energy: -631.061 Base-Backbone interact. energy: 5.245 local terms energy: -670.699130 where: bonds (distance) C4'-P energy: -127.572 bonds (distance) P-C4' energy: -130.092 flat angles C4'-P-C4' energy: -153.246 flat angles P-C4'-P energy: -96.455 tors. eta vs tors. theta energy: -163.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1385.341380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.341380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.341380 (E_RNA) where: Base-Base interactions energy: -799.723 where: short stacking energy: -423.087 Base-Backbone interact. energy: -2.315 local terms energy: -583.303594 where: bonds (distance) C4'-P energy: -149.981 bonds (distance) P-C4' energy: -144.042 flat angles C4'-P-C4' energy: -148.692 flat angles P-C4'-P energy: -66.254 tors. eta vs tors. theta energy: -74.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1083.788133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.788133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.788133 (E_RNA) where: Base-Base interactions energy: -615.038 where: short stacking energy: -353.647 Base-Backbone interact. energy: 2.077 local terms energy: -470.826825 where: bonds (distance) C4'-P energy: -136.660 bonds (distance) P-C4' energy: -119.139 flat angles C4'-P-C4' energy: -129.159 flat angles P-C4'-P energy: -49.308 tors. eta vs tors. theta energy: -36.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3103.180836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.180836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.180836 (E_RNA) where: Base-Base interactions energy: -2182.028 where: short stacking energy: -929.628 Base-Backbone interact. energy: 6.167 local terms energy: -927.319500 where: bonds (distance) C4'-P energy: -164.696 bonds (distance) P-C4' energy: -175.608 flat angles C4'-P-C4' energy: -198.419 flat angles P-C4'-P energy: -127.543 tors. eta vs tors. theta energy: -261.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -3009.161153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.161153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.161153 (E_RNA) where: Base-Base interactions energy: -2117.376 where: short stacking energy: -901.543 Base-Backbone interact. energy: -5.088 local terms energy: -886.697158 where: bonds (distance) C4'-P energy: -156.144 bonds (distance) P-C4' energy: -151.546 flat angles C4'-P-C4' energy: -193.013 flat angles P-C4'-P energy: -113.555 tors. eta vs tors. theta energy: -272.439 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: 3, replica: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2949.076706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.076706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.076706 (E_RNA) where: Base-Base interactions energy: -2048.762 where: short stacking energy: -889.139 Base-Backbone interact. energy: -3.663 local terms energy: -896.651518 where: bonds (distance) C4'-P energy: -135.621 bonds (distance) P-C4' energy: -166.714 flat angles C4'-P-C4' energy: -189.874 flat angles P-C4'-P energy: -139.339 tors. eta vs tors. theta energy: -265.103 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: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2768.014036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.014036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.014036 (E_RNA) where: Base-Base interactions energy: -1897.919 where: short stacking energy: -832.045 Base-Backbone interact. energy: -2.689 local terms energy: -867.405623 where: bonds (distance) C4'-P energy: -154.897 bonds (distance) P-C4' energy: -158.690 flat angles C4'-P-C4' energy: -181.870 flat angles P-C4'-P energy: -121.224 tors. eta vs tors. theta energy: -250.725 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: 246 Temperature: 1.100000 Total energy: -2640.649723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.649723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.649723 (E_RNA) where: Base-Base interactions energy: -1828.781 where: short stacking energy: -778.478 Base-Backbone interact. energy: -4.799 local terms energy: -807.069425 where: bonds (distance) C4'-P energy: -147.882 bonds (distance) P-C4' energy: -150.748 flat angles C4'-P-C4' energy: -182.939 flat angles P-C4'-P energy: -105.725 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: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2538.283833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.283833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.283833 (E_RNA) where: Base-Base interactions energy: -1753.146 where: short stacking energy: -736.559 Base-Backbone interact. energy: -0.803 local terms energy: -784.334291 where: bonds (distance) C4'-P energy: -141.715 bonds (distance) P-C4' energy: -146.114 flat angles C4'-P-C4' energy: -161.174 flat angles P-C4'-P energy: -104.528 tors. eta vs tors. theta energy: -230.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2302.880929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.880929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.880929 (E_RNA) where: Base-Base interactions energy: -1557.169 where: short stacking energy: -678.921 Base-Backbone interact. energy: 2.024 local terms energy: -747.736253 where: bonds (distance) C4'-P energy: -142.132 bonds (distance) P-C4' energy: -134.464 flat angles C4'-P-C4' energy: -185.226 flat angles P-C4'-P energy: -105.778 tors. eta vs tors. theta energy: -180.135 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: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -2039.859428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.859428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.859428 (E_RNA) where: Base-Base interactions energy: -1366.633 where: short stacking energy: -625.980 Base-Backbone interact. energy: -0.587 local terms energy: -672.639409 where: bonds (distance) C4'-P energy: -136.230 bonds (distance) P-C4' energy: -106.067 flat angles C4'-P-C4' energy: -152.977 flat angles P-C4'-P energy: -104.429 tors. eta vs tors. theta energy: -172.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1338.128202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.128202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.128202 (E_RNA) where: Base-Base interactions energy: -784.766 where: short stacking energy: -371.617 Base-Backbone interact. energy: -2.987 local terms energy: -550.375500 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -153.826 flat angles C4'-P-C4' energy: -130.132 flat angles P-C4'-P energy: -89.125 tors. eta vs tors. theta energy: -46.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1036.313884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.313884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.313884 (E_RNA) where: Base-Base interactions energy: -593.032 where: short stacking energy: -286.905 Base-Backbone interact. energy: 1.432 local terms energy: -444.714513 where: bonds (distance) C4'-P energy: -111.600 bonds (distance) P-C4' energy: -134.499 flat angles C4'-P-C4' energy: -108.368 flat angles P-C4'-P energy: -70.926 tors. eta vs tors. theta energy: -19.321 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: 3 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3110.240966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.240966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.240966 (E_RNA) where: Base-Base interactions energy: -2165.278 where: short stacking energy: -937.187 Base-Backbone interact. energy: 5.415 local terms energy: -950.378530 where: bonds (distance) C4'-P energy: -165.898 bonds (distance) P-C4' energy: -171.709 flat angles C4'-P-C4' energy: -200.015 flat angles P-C4'-P energy: -139.125 tors. eta vs tors. theta energy: -273.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2958.772374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.772374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.772374 (E_RNA) where: Base-Base interactions energy: -2063.559 where: short stacking energy: -897.404 Base-Backbone interact. energy: -4.718 local terms energy: -890.495169 where: bonds (distance) C4'-P energy: -168.592 bonds (distance) P-C4' energy: -167.736 flat angles C4'-P-C4' energy: -174.959 flat angles P-C4'-P energy: -109.813 tors. eta vs tors. theta energy: -269.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2953.753985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.753985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.753985 (E_RNA) where: Base-Base interactions energy: -2067.403 where: short stacking energy: -895.126 Base-Backbone interact. energy: -2.345 local terms energy: -884.006362 where: bonds (distance) C4'-P energy: -147.881 bonds (distance) P-C4' energy: -142.546 flat angles C4'-P-C4' energy: -198.782 flat angles P-C4'-P energy: -126.299 tors. eta vs tors. theta energy: -268.499 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: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2772.196056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.196056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.196056 (E_RNA) where: Base-Base interactions energy: -1918.076 where: short stacking energy: -843.124 Base-Backbone interact. energy: -5.282 local terms energy: -848.838572 where: bonds (distance) C4'-P energy: -129.741 bonds (distance) P-C4' energy: -155.779 flat angles C4'-P-C4' energy: -186.765 flat angles P-C4'-P energy: -126.488 tors. eta vs tors. theta energy: -250.067 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: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2586.914889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.914889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.914889 (E_RNA) where: Base-Base interactions energy: -1796.806 where: short stacking energy: -775.870 Base-Backbone interact. energy: -4.601 local terms energy: -785.508190 where: bonds (distance) C4'-P energy: -131.994 bonds (distance) P-C4' energy: -155.045 flat angles C4'-P-C4' energy: -167.392 flat angles P-C4'-P energy: -104.005 tors. eta vs tors. theta energy: -227.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2555.371219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.371219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.371219 (E_RNA) where: Base-Base interactions energy: -1775.492 where: short stacking energy: -781.325 Base-Backbone interact. energy: -2.767 local terms energy: -777.111543 where: bonds (distance) C4'-P energy: -139.213 bonds (distance) P-C4' energy: -160.108 flat angles C4'-P-C4' energy: -154.217 flat angles P-C4'-P energy: -98.290 tors. eta vs tors. theta energy: -225.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2252.765809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.765809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.765809 (E_RNA) where: Base-Base interactions energy: -1513.586 where: short stacking energy: -673.997 Base-Backbone interact. energy: 0.800 local terms energy: -739.980570 where: bonds (distance) C4'-P energy: -150.497 bonds (distance) P-C4' energy: -151.317 flat angles C4'-P-C4' energy: -153.281 flat angles P-C4'-P energy: -100.934 tors. eta vs tors. theta energy: -183.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -2073.335297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.335297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.335297 (E_RNA) where: Base-Base interactions energy: -1420.645 where: short stacking energy: -625.074 Base-Backbone interact. energy: 2.512 local terms energy: -655.202695 where: bonds (distance) C4'-P energy: -122.185 bonds (distance) P-C4' energy: -131.823 flat angles C4'-P-C4' energy: -155.806 flat angles P-C4'-P energy: -80.656 tors. eta vs tors. theta energy: -164.732 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: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1291.866895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.866895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.866895 (E_RNA) where: Base-Base interactions energy: -744.332 where: short stacking energy: -372.666 Base-Backbone interact. energy: -1.326 local terms energy: -546.209128 where: bonds (distance) C4'-P energy: -155.981 bonds (distance) P-C4' energy: -150.400 flat angles C4'-P-C4' energy: -125.917 flat angles P-C4'-P energy: -83.548 tors. eta vs tors. theta energy: -30.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1057.517314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.517314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.517314 (E_RNA) where: Base-Base interactions energy: -584.307 where: short stacking energy: -295.348 Base-Backbone interact. energy: -0.524 local terms energy: -472.686821 where: bonds (distance) C4'-P energy: -135.158 bonds (distance) P-C4' energy: -123.651 flat angles C4'-P-C4' energy: -131.546 flat angles P-C4'-P energy: -58.668 tors. eta vs tors. theta energy: -23.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3103.058972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.058972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.058972 (E_RNA) where: Base-Base interactions energy: -2200.033 where: short stacking energy: -933.008 Base-Backbone interact. energy: 3.670 local terms energy: -906.696016 where: bonds (distance) C4'-P energy: -158.580 bonds (distance) P-C4' energy: -172.460 flat angles C4'-P-C4' energy: -192.506 flat angles P-C4'-P energy: -112.251 tors. eta vs tors. theta energy: -270.898 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: 2, replica: 4 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -3001.769526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.769526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.769526 (E_RNA) where: Base-Base interactions energy: -2122.684 where: short stacking energy: -929.459 Base-Backbone interact. energy: -3.101 local terms energy: -875.984033 where: bonds (distance) C4'-P energy: -149.518 bonds (distance) P-C4' energy: -141.091 flat angles C4'-P-C4' energy: -183.686 flat angles P-C4'-P energy: -131.420 tors. eta vs tors. theta energy: -270.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2930.094789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.094789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.094789 (E_RNA) where: Base-Base interactions energy: -2043.588 where: short stacking energy: -871.129 Base-Backbone interact. energy: -1.168 local terms energy: -885.339290 where: bonds (distance) C4'-P energy: -154.192 bonds (distance) P-C4' energy: -163.782 flat angles C4'-P-C4' energy: -188.064 flat angles P-C4'-P energy: -115.727 tors. eta vs tors. theta energy: -263.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2739.356773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.356773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.356773 (E_RNA) where: Base-Base interactions energy: -1920.293 where: short stacking energy: -844.875 Base-Backbone interact. energy: 3.410 local terms energy: -822.474359 where: bonds (distance) C4'-P energy: -136.746 bonds (distance) P-C4' energy: -146.476 flat angles C4'-P-C4' energy: -174.778 flat angles P-C4'-P energy: -118.291 tors. eta vs tors. theta energy: -246.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2607.465052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.465052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.465052 (E_RNA) where: Base-Base interactions energy: -1810.090 where: short stacking energy: -770.993 Base-Backbone interact. energy: -3.510 local terms energy: -793.864382 where: bonds (distance) C4'-P energy: -149.253 bonds (distance) P-C4' energy: -147.402 flat angles C4'-P-C4' energy: -180.623 flat angles P-C4'-P energy: -101.721 tors. eta vs tors. theta energy: -214.865 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: 6, replica: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2593.069363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.069363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.069363 (E_RNA) where: Base-Base interactions energy: -1798.586 where: short stacking energy: -828.269 Base-Backbone interact. energy: 0.125 local terms energy: -794.608951 where: bonds (distance) C4'-P energy: -159.836 bonds (distance) P-C4' energy: -142.528 flat angles C4'-P-C4' energy: -172.328 flat angles P-C4'-P energy: -87.855 tors. eta vs tors. theta energy: -232.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -2292.552620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.552620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.552620 (E_RNA) where: Base-Base interactions energy: -1559.272 where: short stacking energy: -697.157 Base-Backbone interact. energy: -1.541 local terms energy: -731.739883 where: bonds (distance) C4'-P energy: -137.331 bonds (distance) P-C4' energy: -150.469 flat angles C4'-P-C4' energy: -139.943 flat angles P-C4'-P energy: -107.707 tors. eta vs tors. theta energy: -196.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1979.819801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.819801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.819801 (E_RNA) where: Base-Base interactions energy: -1301.849 where: short stacking energy: -571.403 Base-Backbone interact. energy: -2.915 local terms energy: -675.056199 where: bonds (distance) C4'-P energy: -125.905 bonds (distance) P-C4' energy: -139.286 flat angles C4'-P-C4' energy: -147.686 flat angles P-C4'-P energy: -100.491 tors. eta vs tors. theta energy: -161.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1306.681710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.681710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.681710 (E_RNA) where: Base-Base interactions energy: -759.421 where: short stacking energy: -376.810 Base-Backbone interact. energy: -3.104 local terms energy: -544.157126 where: bonds (distance) C4'-P energy: -135.236 bonds (distance) P-C4' energy: -140.422 flat angles C4'-P-C4' energy: -115.608 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -55.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1049.548953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.548953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.548953 (E_RNA) where: Base-Base interactions energy: -579.618 where: short stacking energy: -288.376 Base-Backbone interact. energy: 1.929 local terms energy: -471.859679 where: bonds (distance) C4'-P energy: -111.353 bonds (distance) P-C4' energy: -135.510 flat angles C4'-P-C4' energy: -137.062 flat angles P-C4'-P energy: -78.674 tors. eta vs tors. theta energy: -9.261 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: 3 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3079.365866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.365866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.365866 (E_RNA) where: Base-Base interactions energy: -2149.493 where: short stacking energy: -924.427 Base-Backbone interact. energy: -4.545 local terms energy: -925.328002 where: bonds (distance) C4'-P energy: -153.224 bonds (distance) P-C4' energy: -172.566 flat angles C4'-P-C4' energy: -196.495 flat angles P-C4'-P energy: -133.221 tors. eta vs tors. theta energy: -269.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2979.542658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.542658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.542658 (E_RNA) where: Base-Base interactions energy: -2070.281 where: short stacking energy: -905.667 Base-Backbone interact. energy: -5.282 local terms energy: -903.979812 where: bonds (distance) C4'-P energy: -182.725 bonds (distance) P-C4' energy: -156.225 flat angles C4'-P-C4' energy: -172.943 flat angles P-C4'-P energy: -125.898 tors. eta vs tors. theta energy: -266.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2953.014066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.014066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.014066 (E_RNA) where: Base-Base interactions energy: -2038.681 where: short stacking energy: -864.663 Base-Backbone interact. energy: -2.884 local terms energy: -911.448991 where: bonds (distance) C4'-P energy: -157.737 bonds (distance) P-C4' energy: -169.679 flat angles C4'-P-C4' energy: -185.920 flat angles P-C4'-P energy: -129.693 tors. eta vs tors. theta energy: -268.420 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: 8 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2769.644893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.644893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.644893 (E_RNA) where: Base-Base interactions energy: -1901.365 where: short stacking energy: -843.123 Base-Backbone interact. energy: -2.356 local terms energy: -865.923822 where: bonds (distance) C4'-P energy: -163.446 bonds (distance) P-C4' energy: -168.771 flat angles C4'-P-C4' energy: -176.132 flat angles P-C4'-P energy: -122.864 tors. eta vs tors. theta energy: -234.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2631.420184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.420184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.420184 (E_RNA) where: Base-Base interactions energy: -1810.588 where: short stacking energy: -800.771 Base-Backbone interact. energy: -4.795 local terms energy: -816.037261 where: bonds (distance) C4'-P energy: -147.673 bonds (distance) P-C4' energy: -148.036 flat angles C4'-P-C4' energy: -171.276 flat angles P-C4'-P energy: -115.638 tors. eta vs tors. theta energy: -233.414 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: 2 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2600.524565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.524565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.524565 (E_RNA) where: Base-Base interactions energy: -1837.427 where: short stacking energy: -797.617 Base-Backbone interact. energy: 0.993 local terms energy: -764.090088 where: bonds (distance) C4'-P energy: -136.830 bonds (distance) P-C4' energy: -139.933 flat angles C4'-P-C4' energy: -170.326 flat angles P-C4'-P energy: -95.777 tors. eta vs tors. theta energy: -221.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2186.960637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.960637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.960637 (E_RNA) where: Base-Base interactions energy: -1482.800 where: short stacking energy: -637.760 Base-Backbone interact. energy: -2.176 local terms energy: -701.984546 where: bonds (distance) C4'-P energy: -140.198 bonds (distance) P-C4' energy: -150.376 flat angles C4'-P-C4' energy: -164.207 flat angles P-C4'-P energy: -80.695 tors. eta vs tors. theta energy: -166.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -2105.295306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.295306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.295306 (E_RNA) where: Base-Base interactions energy: -1435.448 where: short stacking energy: -647.469 Base-Backbone interact. energy: 3.559 local terms energy: -673.405950 where: bonds (distance) C4'-P energy: -117.182 bonds (distance) P-C4' energy: -132.889 flat angles C4'-P-C4' energy: -158.388 flat angles P-C4'-P energy: -100.226 tors. eta vs tors. theta energy: -164.721 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: 9, replica: 10 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1265.673617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.673617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.673617 (E_RNA) where: Base-Base interactions energy: -762.250 where: short stacking energy: -375.842 Base-Backbone interact. energy: 1.627 local terms energy: -505.050344 where: bonds (distance) C4'-P energy: -131.767 bonds (distance) P-C4' energy: -144.473 flat angles C4'-P-C4' energy: -130.985 flat angles P-C4'-P energy: -65.232 tors. eta vs tors. theta energy: -32.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1109.593961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.593961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.593961 (E_RNA) where: Base-Base interactions energy: -664.811 where: short stacking energy: -327.998 Base-Backbone interact. energy: -3.612 local terms energy: -441.170966 where: bonds (distance) C4'-P energy: -119.565 bonds (distance) P-C4' energy: -128.603 flat angles C4'-P-C4' energy: -114.400 flat angles P-C4'-P energy: -65.873 tors. eta vs tors. theta energy: -12.730 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: 3 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3089.280980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.280980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.280980 (E_RNA) where: Base-Base interactions energy: -2169.380 where: short stacking energy: -924.332 Base-Backbone interact. energy: 2.459 local terms energy: -922.360380 where: bonds (distance) C4'-P energy: -145.319 bonds (distance) P-C4' energy: -173.028 flat angles C4'-P-C4' energy: -192.502 flat angles P-C4'-P energy: -137.206 tors. eta vs tors. theta energy: -274.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2987.764229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.764229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.764229 (E_RNA) where: Base-Base interactions energy: -2079.636 where: short stacking energy: -922.468 Base-Backbone interact. energy: -2.243 local terms energy: -905.885646 where: bonds (distance) C4'-P energy: -148.824 bonds (distance) P-C4' energy: -166.428 flat angles C4'-P-C4' energy: -187.859 flat angles P-C4'-P energy: -129.595 tors. eta vs tors. theta energy: -273.180 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: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2915.305424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.305424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.305424 (E_RNA) where: Base-Base interactions energy: -2029.635 where: short stacking energy: -852.090 Base-Backbone interact. energy: -1.576 local terms energy: -884.094143 where: bonds (distance) C4'-P energy: -159.651 bonds (distance) P-C4' energy: -156.498 flat angles C4'-P-C4' energy: -178.104 flat angles P-C4'-P energy: -127.054 tors. eta vs tors. theta energy: -262.787 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: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2751.737635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.737635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.737635 (E_RNA) where: Base-Base interactions energy: -1928.678 where: short stacking energy: -850.354 Base-Backbone interact. energy: -0.408 local terms energy: -822.652104 where: bonds (distance) C4'-P energy: -127.790 bonds (distance) P-C4' energy: -157.232 flat angles C4'-P-C4' energy: -183.238 flat angles P-C4'-P energy: -102.855 tors. eta vs tors. theta energy: -251.537 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: 250 Temperature: 1.100000 Total energy: -2661.210373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.210373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.210373 (E_RNA) where: Base-Base interactions energy: -1852.490 where: short stacking energy: -830.942 Base-Backbone interact. energy: -1.944 local terms energy: -806.775887 where: bonds (distance) C4'-P energy: -127.747 bonds (distance) P-C4' energy: -132.080 flat angles C4'-P-C4' energy: -180.612 flat angles P-C4'-P energy: -112.335 tors. eta vs tors. theta energy: -254.002 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: 7 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2565.012216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.012216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.012216 (E_RNA) where: Base-Base interactions energy: -1791.120 where: short stacking energy: -764.577 Base-Backbone interact. energy: -4.435 local terms energy: -769.457297 where: bonds (distance) C4'-P energy: -131.780 bonds (distance) P-C4' energy: -147.418 flat angles C4'-P-C4' energy: -166.146 flat angles P-C4'-P energy: -103.990 tors. eta vs tors. theta energy: -220.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2182.592714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.592714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.592714 (E_RNA) where: Base-Base interactions energy: -1460.553 where: short stacking energy: -637.525 Base-Backbone interact. energy: -4.744 local terms energy: -717.295324 where: bonds (distance) C4'-P energy: -138.441 bonds (distance) P-C4' energy: -156.065 flat angles C4'-P-C4' energy: -166.256 flat angles P-C4'-P energy: -77.114 tors. eta vs tors. theta energy: -179.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -2077.519855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.519855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.519855 (E_RNA) where: Base-Base interactions energy: -1397.783 where: short stacking energy: -638.631 Base-Backbone interact. energy: -3.400 local terms energy: -676.336441 where: bonds (distance) C4'-P energy: -125.412 bonds (distance) P-C4' energy: -148.341 flat angles C4'-P-C4' energy: -150.162 flat angles P-C4'-P energy: -86.794 tors. eta vs tors. theta energy: -165.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1249.465379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.465379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.465379 (E_RNA) where: Base-Base interactions energy: -766.091 where: short stacking energy: -359.232 Base-Backbone interact. energy: -2.667 local terms energy: -480.707476 where: bonds (distance) C4'-P energy: -130.388 bonds (distance) P-C4' energy: -133.555 flat angles C4'-P-C4' energy: -133.962 flat angles P-C4'-P energy: -56.030 tors. eta vs tors. theta energy: -26.774 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: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1131.773779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.773779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.773779 (E_RNA) where: Base-Base interactions energy: -663.626 where: short stacking energy: -333.402 Base-Backbone interact. energy: 2.496 local terms energy: -470.643898 where: bonds (distance) C4'-P energy: -123.758 bonds (distance) P-C4' energy: -149.503 flat angles C4'-P-C4' energy: -105.402 flat angles P-C4'-P energy: -75.724 tors. eta vs tors. theta energy: -16.256 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: 3 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3083.750759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.750759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.750759 (E_RNA) where: Base-Base interactions energy: -2139.993 where: short stacking energy: -920.462 Base-Backbone interact. energy: 0.411 local terms energy: -944.168885 where: bonds (distance) C4'-P energy: -166.258 bonds (distance) P-C4' energy: -177.508 flat angles C4'-P-C4' energy: -191.524 flat angles P-C4'-P energy: -131.234 tors. eta vs tors. theta energy: -277.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2976.925191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.925191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.925191 (E_RNA) where: Base-Base interactions energy: -2070.765 where: short stacking energy: -915.710 Base-Backbone interact. energy: 1.748 local terms energy: -907.908653 where: bonds (distance) C4'-P energy: -166.290 bonds (distance) P-C4' energy: -158.375 flat angles C4'-P-C4' energy: -193.577 flat angles P-C4'-P energy: -128.859 tors. eta vs tors. theta energy: -260.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2948.934478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.934478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.934478 (E_RNA) where: Base-Base interactions energy: -2052.749 where: short stacking energy: -890.822 Base-Backbone interact. energy: -3.820 local terms energy: -892.365038 where: bonds (distance) C4'-P energy: -159.493 bonds (distance) P-C4' energy: -160.025 flat angles C4'-P-C4' energy: -190.118 flat angles P-C4'-P energy: -108.757 tors. eta vs tors. theta energy: -273.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2805.556511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.556511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.556511 (E_RNA) where: Base-Base interactions energy: -1975.108 where: short stacking energy: -846.671 Base-Backbone interact. energy: 1.711 local terms energy: -832.159157 where: bonds (distance) C4'-P energy: -150.305 bonds (distance) P-C4' energy: -144.009 flat angles C4'-P-C4' energy: -176.595 flat angles P-C4'-P energy: -117.135 tors. eta vs tors. theta energy: -244.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2710.452876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.452876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.452876 (E_RNA) where: Base-Base interactions energy: -1870.269 where: short stacking energy: -820.779 Base-Backbone interact. energy: 0.411 local terms energy: -840.594341 where: bonds (distance) C4'-P energy: -143.726 bonds (distance) P-C4' energy: -158.908 flat angles C4'-P-C4' energy: -177.013 flat angles P-C4'-P energy: -121.745 tors. eta vs tors. theta energy: -239.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2584.848013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.848013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.848013 (E_RNA) where: Base-Base interactions energy: -1793.599 where: short stacking energy: -794.909 Base-Backbone interact. energy: -2.270 local terms energy: -788.978381 where: bonds (distance) C4'-P energy: -147.694 bonds (distance) P-C4' energy: -142.327 flat angles C4'-P-C4' energy: -161.233 flat angles P-C4'-P energy: -113.608 tors. eta vs tors. theta energy: -224.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2219.372224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.372224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.372224 (E_RNA) where: Base-Base interactions energy: -1485.513 where: short stacking energy: -680.610 Base-Backbone interact. energy: -1.238 local terms energy: -732.621173 where: bonds (distance) C4'-P energy: -135.529 bonds (distance) P-C4' energy: -164.290 flat angles C4'-P-C4' energy: -145.775 flat angles P-C4'-P energy: -115.036 tors. eta vs tors. theta energy: -171.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -2061.963424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.963424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.963424 (E_RNA) where: Base-Base interactions energy: -1379.974 where: short stacking energy: -619.858 Base-Backbone interact. energy: 0.480 local terms energy: -682.468933 where: bonds (distance) C4'-P energy: -146.911 bonds (distance) P-C4' energy: -148.924 flat angles C4'-P-C4' energy: -152.254 flat angles P-C4'-P energy: -79.840 tors. eta vs tors. theta energy: -154.539 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: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1296.865656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.865656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.865656 (E_RNA) where: Base-Base interactions energy: -792.768 where: short stacking energy: -384.753 Base-Backbone interact. energy: 1.724 local terms energy: -505.821335 where: bonds (distance) C4'-P energy: -138.474 bonds (distance) P-C4' energy: -145.188 flat angles C4'-P-C4' energy: -112.200 flat angles P-C4'-P energy: -66.826 tors. eta vs tors. theta energy: -43.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1145.108992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.108992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.108992 (E_RNA) where: Base-Base interactions energy: -646.723 where: short stacking energy: -319.548 Base-Backbone interact. energy: -2.845 local terms energy: -495.541246 where: bonds (distance) C4'-P energy: -136.749 bonds (distance) P-C4' energy: -141.857 flat angles C4'-P-C4' energy: -125.298 flat angles P-C4'-P energy: -71.203 tors. eta vs tors. theta energy: -20.435 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: 3 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3114.403248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.403248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.403248 (E_RNA) where: Base-Base interactions energy: -2183.851 where: short stacking energy: -933.913 Base-Backbone interact. energy: -3.774 local terms energy: -926.778844 where: bonds (distance) C4'-P energy: -156.769 bonds (distance) P-C4' energy: -168.814 flat angles C4'-P-C4' energy: -204.050 flat angles P-C4'-P energy: -128.168 tors. eta vs tors. theta energy: -268.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2985.936863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.936863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.936863 (E_RNA) where: Base-Base interactions energy: -2081.194 where: short stacking energy: -918.705 Base-Backbone interact. energy: -5.216 local terms energy: -899.526715 where: bonds (distance) C4'-P energy: -160.642 bonds (distance) P-C4' energy: -167.236 flat angles C4'-P-C4' energy: -175.067 flat angles P-C4'-P energy: -133.705 tors. eta vs tors. theta energy: -262.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2914.947549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.947549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.947549 (E_RNA) where: Base-Base interactions energy: -2010.328 where: short stacking energy: -894.093 Base-Backbone interact. energy: 1.605 local terms energy: -906.224237 where: bonds (distance) C4'-P energy: -151.598 bonds (distance) P-C4' energy: -157.741 flat angles C4'-P-C4' energy: -192.674 flat angles P-C4'-P energy: -135.158 tors. eta vs tors. theta energy: -269.053 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: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2757.776977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.776977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.776977 (E_RNA) where: Base-Base interactions energy: -1894.866 where: short stacking energy: -835.944 Base-Backbone interact. energy: -2.489 local terms energy: -860.422282 where: bonds (distance) C4'-P energy: -156.956 bonds (distance) P-C4' energy: -155.089 flat angles C4'-P-C4' energy: -175.744 flat angles P-C4'-P energy: -134.056 tors. eta vs tors. theta energy: -238.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2703.834719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.834719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.834719 (E_RNA) where: Base-Base interactions energy: -1879.225 where: short stacking energy: -844.377 Base-Backbone interact. energy: -2.779 local terms energy: -821.831158 where: bonds (distance) C4'-P energy: -130.122 bonds (distance) P-C4' energy: -134.260 flat angles C4'-P-C4' energy: -180.656 flat angles P-C4'-P energy: -119.227 tors. eta vs tors. theta energy: -257.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2528.920364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.920364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.920364 (E_RNA) where: Base-Base interactions energy: -1756.164 where: short stacking energy: -740.296 Base-Backbone interact. energy: 1.392 local terms energy: -774.148130 where: bonds (distance) C4'-P energy: -154.975 bonds (distance) P-C4' energy: -116.363 flat angles C4'-P-C4' energy: -178.405 flat angles P-C4'-P energy: -119.347 tors. eta vs tors. theta energy: -205.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2242.923997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.923997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.923997 (E_RNA) where: Base-Base interactions energy: -1537.775 where: short stacking energy: -694.251 Base-Backbone interact. energy: 1.621 local terms energy: -706.769539 where: bonds (distance) C4'-P energy: -134.493 bonds (distance) P-C4' energy: -137.139 flat angles C4'-P-C4' energy: -146.816 flat angles P-C4'-P energy: -88.888 tors. eta vs tors. theta energy: -199.435 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: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -2047.666642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.666642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.666642 (E_RNA) where: Base-Base interactions energy: -1385.996 where: short stacking energy: -621.750 Base-Backbone interact. energy: 0.057 local terms energy: -661.727366 where: bonds (distance) C4'-P energy: -125.336 bonds (distance) P-C4' energy: -131.455 flat angles C4'-P-C4' energy: -145.728 flat angles P-C4'-P energy: -91.089 tors. eta vs tors. theta energy: -168.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1303.622634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.622634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.622634 (E_RNA) where: Base-Base interactions energy: -770.716 where: short stacking energy: -376.570 Base-Backbone interact. energy: 0.940 local terms energy: -533.845857 where: bonds (distance) C4'-P energy: -108.942 bonds (distance) P-C4' energy: -145.137 flat angles C4'-P-C4' energy: -134.834 flat angles P-C4'-P energy: -88.537 tors. eta vs tors. theta energy: -56.395 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: 252 Temperature: 1.350000 Total energy: -1150.043936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.043936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.043936 (E_RNA) where: Base-Base interactions energy: -686.278 where: short stacking energy: -339.839 Base-Backbone interact. energy: 3.446 local terms energy: -467.212024 where: bonds (distance) C4'-P energy: -121.047 bonds (distance) P-C4' energy: -135.872 flat angles C4'-P-C4' energy: -106.239 flat angles P-C4'-P energy: -81.106 tors. eta vs tors. theta energy: -22.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3144.314287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.314287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.314287 (E_RNA) where: Base-Base interactions energy: -2206.182 where: short stacking energy: -937.895 Base-Backbone interact. energy: -6.326 local terms energy: -931.805696 where: bonds (distance) C4'-P energy: -168.118 bonds (distance) P-C4' energy: -165.786 flat angles C4'-P-C4' energy: -199.558 flat angles P-C4'-P energy: -132.396 tors. eta vs tors. theta energy: -265.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2982.642958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.642958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.642958 (E_RNA) where: Base-Base interactions energy: -2046.465 where: short stacking energy: -916.532 Base-Backbone interact. energy: -3.463 local terms energy: -932.715325 where: bonds (distance) C4'-P energy: -163.843 bonds (distance) P-C4' energy: -169.847 flat angles C4'-P-C4' energy: -201.370 flat angles P-C4'-P energy: -125.324 tors. eta vs tors. theta energy: -272.330 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: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2882.400397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.400397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.400397 (E_RNA) where: Base-Base interactions energy: -1993.332 where: short stacking energy: -878.608 Base-Backbone interact. energy: 0.093 local terms energy: -889.161712 where: bonds (distance) C4'-P energy: -162.182 bonds (distance) P-C4' energy: -153.812 flat angles C4'-P-C4' energy: -193.760 flat angles P-C4'-P energy: -118.227 tors. eta vs tors. theta energy: -261.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2755.658883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.658883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.658883 (E_RNA) where: Base-Base interactions energy: -1932.712 where: short stacking energy: -861.872 Base-Backbone interact. energy: -0.071 local terms energy: -822.875947 where: bonds (distance) C4'-P energy: -136.866 bonds (distance) P-C4' energy: -148.067 flat angles C4'-P-C4' energy: -172.857 flat angles P-C4'-P energy: -107.996 tors. eta vs tors. theta energy: -257.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2687.942660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.942660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.942660 (E_RNA) where: Base-Base interactions energy: -1884.677 where: short stacking energy: -839.940 Base-Backbone interact. energy: -1.539 local terms energy: -801.726907 where: bonds (distance) C4'-P energy: -125.738 bonds (distance) P-C4' energy: -155.855 flat angles C4'-P-C4' energy: -171.182 flat angles P-C4'-P energy: -105.880 tors. eta vs tors. theta energy: -243.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2527.852831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.852831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.852831 (E_RNA) where: Base-Base interactions energy: -1756.650 where: short stacking energy: -741.245 Base-Backbone interact. energy: -3.055 local terms energy: -768.147324 where: bonds (distance) C4'-P energy: -132.690 bonds (distance) P-C4' energy: -130.156 flat angles C4'-P-C4' energy: -186.037 flat angles P-C4'-P energy: -106.445 tors. eta vs tors. theta energy: -212.819 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: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2315.799005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.799005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.799005 (E_RNA) where: Base-Base interactions energy: -1582.097 where: short stacking energy: -688.086 Base-Backbone interact. energy: -1.365 local terms energy: -732.336347 where: bonds (distance) C4'-P energy: -153.334 bonds (distance) P-C4' energy: -137.674 flat angles C4'-P-C4' energy: -154.843 flat angles P-C4'-P energy: -104.693 tors. eta vs tors. theta energy: -181.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -2058.432194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.432194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.432194 (E_RNA) where: Base-Base interactions energy: -1370.907 where: short stacking energy: -678.549 Base-Backbone interact. energy: 1.983 local terms energy: -689.508329 where: bonds (distance) C4'-P energy: -120.086 bonds (distance) P-C4' energy: -153.960 flat angles C4'-P-C4' energy: -160.705 flat angles P-C4'-P energy: -90.091 tors. eta vs tors. theta energy: -164.666 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: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1302.563406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.563406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.563406 (E_RNA) where: Base-Base interactions energy: -777.261 where: short stacking energy: -393.561 Base-Backbone interact. energy: 3.936 local terms energy: -529.238711 where: bonds (distance) C4'-P energy: -124.811 bonds (distance) P-C4' energy: -131.091 flat angles C4'-P-C4' energy: -127.558 flat angles P-C4'-P energy: -83.928 tors. eta vs tors. theta energy: -61.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1184.389314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.389314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.389314 (E_RNA) where: Base-Base interactions energy: -714.681 where: short stacking energy: -358.134 Base-Backbone interact. energy: 1.502 local terms energy: -471.210265 where: bonds (distance) C4'-P energy: -132.690 bonds (distance) P-C4' energy: -132.974 flat angles C4'-P-C4' energy: -120.548 flat angles P-C4'-P energy: -59.730 tors. eta vs tors. theta energy: -25.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3096.709065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.709065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.709065 (E_RNA) where: Base-Base interactions energy: -2178.717 where: short stacking energy: -926.188 Base-Backbone interact. energy: -3.105 local terms energy: -914.886473 where: bonds (distance) C4'-P energy: -164.487 bonds (distance) P-C4' energy: -162.774 flat angles C4'-P-C4' energy: -200.939 flat angles P-C4'-P energy: -130.044 tors. eta vs tors. theta energy: -256.642 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: 4 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -3008.675886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.675886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.675886 (E_RNA) where: Base-Base interactions energy: -2069.846 where: short stacking energy: -917.598 Base-Backbone interact. energy: -1.877 local terms energy: -936.952867 where: bonds (distance) C4'-P energy: -154.481 bonds (distance) P-C4' energy: -179.121 flat angles C4'-P-C4' energy: -202.712 flat angles P-C4'-P energy: -123.130 tors. eta vs tors. theta energy: -277.509 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: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2923.506369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.506369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.506369 (E_RNA) where: Base-Base interactions energy: -2007.577 where: short stacking energy: -901.032 Base-Backbone interact. energy: -2.766 local terms energy: -913.163416 where: bonds (distance) C4'-P energy: -167.136 bonds (distance) P-C4' energy: -168.597 flat angles C4'-P-C4' energy: -178.158 flat angles P-C4'-P energy: -129.509 tors. eta vs tors. theta energy: -269.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2806.744026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.744026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.744026 (E_RNA) where: Base-Base interactions energy: -1954.406 where: short stacking energy: -851.786 Base-Backbone interact. energy: 1.749 local terms energy: -854.086424 where: bonds (distance) C4'-P energy: -153.306 bonds (distance) P-C4' energy: -138.940 flat angles C4'-P-C4' energy: -181.176 flat angles P-C4'-P energy: -124.000 tors. eta vs tors. theta energy: -256.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2701.970725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.970725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.970725 (E_RNA) where: Base-Base interactions energy: -1844.323 where: short stacking energy: -827.186 Base-Backbone interact. energy: -1.964 local terms energy: -855.683719 where: bonds (distance) C4'-P energy: -143.357 bonds (distance) P-C4' energy: -160.287 flat angles C4'-P-C4' energy: -191.448 flat angles P-C4'-P energy: -114.779 tors. eta vs tors. theta energy: -245.813 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: 254 Temperature: 1.150000 Total energy: -2553.127744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.127744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.127744 (E_RNA) where: Base-Base interactions energy: -1786.754 where: short stacking energy: -783.847 Base-Backbone interact. energy: -5.179 local terms energy: -761.195429 where: bonds (distance) C4'-P energy: -119.402 bonds (distance) P-C4' energy: -162.036 flat angles C4'-P-C4' energy: -162.978 flat angles P-C4'-P energy: -113.158 tors. eta vs tors. theta energy: -203.621 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: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2359.219394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.219394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.219394 (E_RNA) where: Base-Base interactions energy: -1644.283 where: short stacking energy: -720.868 Base-Backbone interact. energy: 2.775 local terms energy: -717.711509 where: bonds (distance) C4'-P energy: -119.907 bonds (distance) P-C4' energy: -130.940 flat angles C4'-P-C4' energy: -175.811 flat angles P-C4'-P energy: -101.271 tors. eta vs tors. theta energy: -189.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -2092.598195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.598195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.598195 (E_RNA) where: Base-Base interactions energy: -1410.251 where: short stacking energy: -658.648 Base-Backbone interact. energy: 0.192 local terms energy: -682.539132 where: bonds (distance) C4'-P energy: -142.072 bonds (distance) P-C4' energy: -126.147 flat angles C4'-P-C4' energy: -159.813 flat angles P-C4'-P energy: -84.765 tors. eta vs tors. theta energy: -169.742 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: 9, replica: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1310.398188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.398188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.398188 (E_RNA) where: Base-Base interactions energy: -797.661 where: short stacking energy: -349.368 Base-Backbone interact. energy: 4.699 local terms energy: -517.436478 where: bonds (distance) C4'-P energy: -129.847 bonds (distance) P-C4' energy: -127.769 flat angles C4'-P-C4' energy: -119.852 flat angles P-C4'-P energy: -98.271 tors. eta vs tors. theta energy: -41.698 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: 9 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1139.516591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.516591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.516591 (E_RNA) where: Base-Base interactions energy: -670.801 where: short stacking energy: -342.173 Base-Backbone interact. energy: 3.492 local terms energy: -472.207367 where: bonds (distance) C4'-P energy: -126.631 bonds (distance) P-C4' energy: -145.036 flat angles C4'-P-C4' energy: -107.343 flat angles P-C4'-P energy: -58.399 tors. eta vs tors. theta energy: -34.799 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: 3 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3103.764196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.764196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.764196 (E_RNA) where: Base-Base interactions energy: -2178.435 where: short stacking energy: -920.339 Base-Backbone interact. energy: -3.908 local terms energy: -921.420782 where: bonds (distance) C4'-P energy: -151.190 bonds (distance) P-C4' energy: -163.980 flat angles C4'-P-C4' energy: -206.034 flat angles P-C4'-P energy: -131.111 tors. eta vs tors. theta energy: -269.106 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: 4 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2994.247335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.247335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.247335 (E_RNA) where: Base-Base interactions energy: -2072.172 where: short stacking energy: -904.658 Base-Backbone interact. energy: -3.416 local terms energy: -918.659449 where: bonds (distance) C4'-P energy: -147.214 bonds (distance) P-C4' energy: -171.689 flat angles C4'-P-C4' energy: -192.386 flat angles P-C4'-P energy: -145.249 tors. eta vs tors. theta energy: -262.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2917.372333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.372333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.372333 (E_RNA) where: Base-Base interactions energy: -2015.149 where: short stacking energy: -892.844 Base-Backbone interact. energy: -2.256 local terms energy: -899.967531 where: bonds (distance) C4'-P energy: -157.486 bonds (distance) P-C4' energy: -153.748 flat angles C4'-P-C4' energy: -194.628 flat angles P-C4'-P energy: -123.646 tors. eta vs tors. theta energy: -270.458 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: 4, replica: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2788.830423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.830423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.830423 (E_RNA) where: Base-Base interactions energy: -1923.974 where: short stacking energy: -858.309 Base-Backbone interact. energy: -0.934 local terms energy: -863.922400 where: bonds (distance) C4'-P energy: -161.662 bonds (distance) P-C4' energy: -155.728 flat angles C4'-P-C4' energy: -180.585 flat angles P-C4'-P energy: -120.046 tors. eta vs tors. theta energy: -245.901 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: 255 Temperature: 1.100000 Total energy: -2703.839854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.839854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.839854 (E_RNA) where: Base-Base interactions energy: -1871.575 where: short stacking energy: -828.433 Base-Backbone interact. energy: -3.762 local terms energy: -828.502677 where: bonds (distance) C4'-P energy: -128.113 bonds (distance) P-C4' energy: -162.658 flat angles C4'-P-C4' energy: -173.550 flat angles P-C4'-P energy: -118.169 tors. eta vs tors. theta energy: -246.012 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: 7 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2537.072328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.072328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.072328 (E_RNA) where: Base-Base interactions energy: -1756.491 where: short stacking energy: -752.592 Base-Backbone interact. energy: 2.433 local terms energy: -783.014731 where: bonds (distance) C4'-P energy: -137.682 bonds (distance) P-C4' energy: -142.962 flat angles C4'-P-C4' energy: -166.400 flat angles P-C4'-P energy: -121.016 tors. eta vs tors. theta energy: -214.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2357.695439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.695439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.695439 (E_RNA) where: Base-Base interactions energy: -1645.436 where: short stacking energy: -706.932 Base-Backbone interact. energy: 1.468 local terms energy: -713.727899 where: bonds (distance) C4'-P energy: -139.012 bonds (distance) P-C4' energy: -130.989 flat angles C4'-P-C4' energy: -157.539 flat angles P-C4'-P energy: -94.727 tors. eta vs tors. theta energy: -191.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -2065.088623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.088623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.088623 (E_RNA) where: Base-Base interactions energy: -1374.095 where: short stacking energy: -631.735 Base-Backbone interact. energy: -3.204 local terms energy: -687.789261 where: bonds (distance) C4'-P energy: -150.051 bonds (distance) P-C4' energy: -140.722 flat angles C4'-P-C4' energy: -138.015 flat angles P-C4'-P energy: -89.759 tors. eta vs tors. theta energy: -169.243 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: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1318.958457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.958457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.958457 (E_RNA) where: Base-Base interactions energy: -783.931 where: short stacking energy: -370.269 Base-Backbone interact. energy: -2.111 local terms energy: -532.916423 where: bonds (distance) C4'-P energy: -118.613 bonds (distance) P-C4' energy: -149.403 flat angles C4'-P-C4' energy: -145.750 flat angles P-C4'-P energy: -74.417 tors. eta vs tors. theta energy: -44.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1215.707599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.707599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.707599 (E_RNA) where: Base-Base interactions energy: -721.384 where: short stacking energy: -347.405 Base-Backbone interact. energy: 1.009 local terms energy: -495.332098 where: bonds (distance) C4'-P energy: -139.630 bonds (distance) P-C4' energy: -118.335 flat angles C4'-P-C4' energy: -132.677 flat angles P-C4'-P energy: -63.057 tors. eta vs tors. theta energy: -41.634 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: 3 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3132.761594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.761594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.761594 (E_RNA) where: Base-Base interactions energy: -2204.383 where: short stacking energy: -939.020 Base-Backbone interact. energy: -4.476 local terms energy: -923.902409 where: bonds (distance) C4'-P energy: -174.130 bonds (distance) P-C4' energy: -152.338 flat angles C4'-P-C4' energy: -197.459 flat angles P-C4'-P energy: -124.933 tors. eta vs tors. theta energy: -275.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2996.148503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.148503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.148503 (E_RNA) where: Base-Base interactions energy: -2102.337 where: short stacking energy: -939.282 Base-Backbone interact. energy: -1.999 local terms energy: -891.812997 where: bonds (distance) C4'-P energy: -152.033 bonds (distance) P-C4' energy: -146.654 flat angles C4'-P-C4' energy: -191.304 flat angles P-C4'-P energy: -128.163 tors. eta vs tors. theta energy: -273.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2909.442099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.442099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.442099 (E_RNA) where: Base-Base interactions energy: -2014.430 where: short stacking energy: -889.800 Base-Backbone interact. energy: -3.672 local terms energy: -891.340303 where: bonds (distance) C4'-P energy: -144.003 bonds (distance) P-C4' energy: -158.294 flat angles C4'-P-C4' energy: -193.953 flat angles P-C4'-P energy: -123.602 tors. eta vs tors. theta energy: -271.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2809.622867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.622867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.622867 (E_RNA) where: Base-Base interactions energy: -1958.592 where: short stacking energy: -871.471 Base-Backbone interact. energy: -1.270 local terms energy: -849.760818 where: bonds (distance) C4'-P energy: -155.469 bonds (distance) P-C4' energy: -146.153 flat angles C4'-P-C4' energy: -177.730 flat angles P-C4'-P energy: -117.539 tors. eta vs tors. theta energy: -252.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2678.793571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.793571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.793571 (E_RNA) where: Base-Base interactions energy: -1866.948 where: short stacking energy: -830.087 Base-Backbone interact. energy: -1.816 local terms energy: -810.029374 where: bonds (distance) C4'-P energy: -138.801 bonds (distance) P-C4' energy: -138.119 flat angles C4'-P-C4' energy: -171.074 flat angles P-C4'-P energy: -121.591 tors. eta vs tors. theta energy: -240.444 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: 7 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2502.913472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.913472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.913472 (E_RNA) where: Base-Base interactions energy: -1728.524 where: short stacking energy: -759.860 Base-Backbone interact. energy: 0.164 local terms energy: -774.554102 where: bonds (distance) C4'-P energy: -150.907 bonds (distance) P-C4' energy: -146.918 flat angles C4'-P-C4' energy: -164.024 flat angles P-C4'-P energy: -109.036 tors. eta vs tors. theta energy: -203.668 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: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2339.152580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.152580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.152580 (E_RNA) where: Base-Base interactions energy: -1618.719 where: short stacking energy: -696.794 Base-Backbone interact. energy: -3.940 local terms energy: -716.493493 where: bonds (distance) C4'-P energy: -131.927 bonds (distance) P-C4' energy: -135.692 flat angles C4'-P-C4' energy: -173.419 flat angles P-C4'-P energy: -89.522 tors. eta vs tors. theta energy: -185.933 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: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -2047.515498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.515498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.515498 (E_RNA) where: Base-Base interactions energy: -1366.863 where: short stacking energy: -604.845 Base-Backbone interact. energy: -2.692 local terms energy: -677.960897 where: bonds (distance) C4'-P energy: -128.836 bonds (distance) P-C4' energy: -148.123 flat angles C4'-P-C4' energy: -151.517 flat angles P-C4'-P energy: -88.341 tors. eta vs tors. theta energy: -161.144 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: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1308.699270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.699270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.699270 (E_RNA) where: Base-Base interactions energy: -768.241 where: short stacking energy: -386.578 Base-Backbone interact. energy: 1.623 local terms energy: -542.081127 where: bonds (distance) C4'-P energy: -107.951 bonds (distance) P-C4' energy: -125.950 flat angles C4'-P-C4' energy: -155.899 flat angles P-C4'-P energy: -98.968 tors. eta vs tors. theta energy: -53.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1177.750060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.750060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.750060 (E_RNA) where: Base-Base interactions energy: -705.830 where: short stacking energy: -371.248 Base-Backbone interact. energy: 5.143 local terms energy: -477.062444 where: bonds (distance) C4'-P energy: -113.448 bonds (distance) P-C4' energy: -138.192 flat angles C4'-P-C4' energy: -129.089 flat angles P-C4'-P energy: -56.230 tors. eta vs tors. theta energy: -40.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3136.458947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.458947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.458947 (E_RNA) where: Base-Base interactions energy: -2201.356 where: short stacking energy: -948.350 Base-Backbone interact. energy: -3.971 local terms energy: -931.131378 where: bonds (distance) C4'-P energy: -173.728 bonds (distance) P-C4' energy: -166.799 flat angles C4'-P-C4' energy: -190.752 flat angles P-C4'-P energy: -131.489 tors. eta vs tors. theta energy: -268.363 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: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2982.659479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.659479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.659479 (E_RNA) where: Base-Base interactions energy: -2072.913 where: short stacking energy: -927.983 Base-Backbone interact. energy: -2.832 local terms energy: -906.915044 where: bonds (distance) C4'-P energy: -155.260 bonds (distance) P-C4' energy: -155.374 flat angles C4'-P-C4' energy: -177.510 flat angles P-C4'-P energy: -146.314 tors. eta vs tors. theta energy: -272.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2919.410519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.410519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.410519 (E_RNA) where: Base-Base interactions energy: -1991.505 where: short stacking energy: -904.471 Base-Backbone interact. energy: -2.470 local terms energy: -925.436061 where: bonds (distance) C4'-P energy: -164.576 bonds (distance) P-C4' energy: -165.467 flat angles C4'-P-C4' energy: -193.202 flat angles P-C4'-P energy: -130.586 tors. eta vs tors. theta energy: -271.606 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: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2796.857493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.857493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.857493 (E_RNA) where: Base-Base interactions energy: -1957.557 where: short stacking energy: -827.540 Base-Backbone interact. energy: -2.431 local terms energy: -836.870321 where: bonds (distance) C4'-P energy: -154.040 bonds (distance) P-C4' energy: -141.432 flat angles C4'-P-C4' energy: -178.523 flat angles P-C4'-P energy: -110.403 tors. eta vs tors. theta energy: -252.471 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: 257 Temperature: 1.100000 Total energy: -2664.293296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.293296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.293296 (E_RNA) where: Base-Base interactions energy: -1848.137 where: short stacking energy: -799.895 Base-Backbone interact. energy: -1.145 local terms energy: -815.011564 where: bonds (distance) C4'-P energy: -145.911 bonds (distance) P-C4' energy: -137.659 flat angles C4'-P-C4' energy: -163.578 flat angles P-C4'-P energy: -123.681 tors. eta vs tors. theta energy: -244.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2508.691967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.691967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.691967 (E_RNA) where: Base-Base interactions energy: -1716.592 where: short stacking energy: -742.964 Base-Backbone interact. energy: -2.661 local terms energy: -789.439142 where: bonds (distance) C4'-P energy: -143.860 bonds (distance) P-C4' energy: -141.965 flat angles C4'-P-C4' energy: -165.962 flat angles P-C4'-P energy: -122.003 tors. eta vs tors. theta energy: -215.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2267.407496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.407496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.407496 (E_RNA) where: Base-Base interactions energy: -1574.487 where: short stacking energy: -688.752 Base-Backbone interact. energy: 0.869 local terms energy: -693.789198 where: bonds (distance) C4'-P energy: -127.589 bonds (distance) P-C4' energy: -131.500 flat angles C4'-P-C4' energy: -143.565 flat angles P-C4'-P energy: -110.907 tors. eta vs tors. theta energy: -180.229 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: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -2076.952478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.952478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.952478 (E_RNA) where: Base-Base interactions energy: -1395.357 where: short stacking energy: -658.820 Base-Backbone interact. energy: -0.767 local terms energy: -680.828057 where: bonds (distance) C4'-P energy: -125.260 bonds (distance) P-C4' energy: -137.976 flat angles C4'-P-C4' energy: -152.744 flat angles P-C4'-P energy: -96.592 tors. eta vs tors. theta energy: -168.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1281.937540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.937540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.937540 (E_RNA) where: Base-Base interactions energy: -808.420 where: short stacking energy: -382.177 Base-Backbone interact. energy: -1.351 local terms energy: -472.167172 where: bonds (distance) C4'-P energy: -126.083 bonds (distance) P-C4' energy: -126.676 flat angles C4'-P-C4' energy: -127.136 flat angles P-C4'-P energy: -69.140 tors. eta vs tors. theta energy: -23.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1217.718851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.718851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.718851 (E_RNA) where: Base-Base interactions energy: -720.319 where: short stacking energy: -362.852 Base-Backbone interact. energy: 2.677 local terms energy: -500.076969 where: bonds (distance) C4'-P energy: -120.461 bonds (distance) P-C4' energy: -128.365 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -68.459 tors. eta vs tors. theta energy: -44.038 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: 3 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3121.881001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.881001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.881001 (E_RNA) where: Base-Base interactions energy: -2182.652 where: short stacking energy: -927.230 Base-Backbone interact. energy: -6.704 local terms energy: -932.524650 where: bonds (distance) C4'-P energy: -169.396 bonds (distance) P-C4' energy: -167.432 flat angles C4'-P-C4' energy: -191.089 flat angles P-C4'-P energy: -137.218 tors. eta vs tors. theta energy: -267.390 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: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2982.606269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.606269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.606269 (E_RNA) where: Base-Base interactions energy: -2074.978 where: short stacking energy: -897.977 Base-Backbone interact. energy: -3.286 local terms energy: -904.342323 where: bonds (distance) C4'-P energy: -163.804 bonds (distance) P-C4' energy: -161.233 flat angles C4'-P-C4' energy: -185.660 flat angles P-C4'-P energy: -129.712 tors. eta vs tors. theta energy: -263.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2952.340653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.340653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.340653 (E_RNA) where: Base-Base interactions energy: -2048.925 where: short stacking energy: -934.886 Base-Backbone interact. energy: -2.161 local terms energy: -901.254862 where: bonds (distance) C4'-P energy: -150.074 bonds (distance) P-C4' energy: -163.670 flat angles C4'-P-C4' energy: -192.383 flat angles P-C4'-P energy: -122.767 tors. eta vs tors. theta energy: -272.362 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: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2819.031199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.031199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.031199 (E_RNA) where: Base-Base interactions energy: -1961.113 where: short stacking energy: -851.734 Base-Backbone interact. energy: -1.690 local terms energy: -856.228425 where: bonds (distance) C4'-P energy: -145.025 bonds (distance) P-C4' energy: -148.227 flat angles C4'-P-C4' energy: -192.745 flat angles P-C4'-P energy: -127.562 tors. eta vs tors. theta energy: -242.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2639.759752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.759752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.759752 (E_RNA) where: Base-Base interactions energy: -1827.968 where: short stacking energy: -824.749 Base-Backbone interact. energy: -2.702 local terms energy: -809.089831 where: bonds (distance) C4'-P energy: -132.050 bonds (distance) P-C4' energy: -154.205 flat angles C4'-P-C4' energy: -170.876 flat angles P-C4'-P energy: -114.188 tors. eta vs tors. theta energy: -237.770 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: 7 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2530.514456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.514456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.514456 (E_RNA) where: Base-Base interactions energy: -1757.516 where: short stacking energy: -758.666 Base-Backbone interact. energy: -1.923 local terms energy: -771.074878 where: bonds (distance) C4'-P energy: -118.989 bonds (distance) P-C4' energy: -141.794 flat angles C4'-P-C4' energy: -178.678 flat angles P-C4'-P energy: -109.702 tors. eta vs tors. theta energy: -221.911 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: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2285.087340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.087340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.087340 (E_RNA) where: Base-Base interactions energy: -1597.120 where: short stacking energy: -722.671 Base-Backbone interact. energy: -2.068 local terms energy: -685.899138 where: bonds (distance) C4'-P energy: -108.677 bonds (distance) P-C4' energy: -119.089 flat angles C4'-P-C4' energy: -168.278 flat angles P-C4'-P energy: -95.010 tors. eta vs tors. theta energy: -194.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -2049.021982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.021982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.021982 (E_RNA) where: Base-Base interactions energy: -1384.450 where: short stacking energy: -663.882 Base-Backbone interact. energy: -3.116 local terms energy: -661.456864 where: bonds (distance) C4'-P energy: -128.192 bonds (distance) P-C4' energy: -144.481 flat angles C4'-P-C4' energy: -139.724 flat angles P-C4'-P energy: -82.849 tors. eta vs tors. theta energy: -166.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1344.418762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.418762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.418762 (E_RNA) where: Base-Base interactions energy: -796.799 where: short stacking energy: -392.186 Base-Backbone interact. energy: -0.212 local terms energy: -547.407426 where: bonds (distance) C4'-P energy: -129.752 bonds (distance) P-C4' energy: -142.761 flat angles C4'-P-C4' energy: -140.050 flat angles P-C4'-P energy: -81.957 tors. eta vs tors. theta energy: -52.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1170.384730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.384730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.384730 (E_RNA) where: Base-Base interactions energy: -704.811 where: short stacking energy: -319.685 Base-Backbone interact. energy: 2.742 local terms energy: -468.316217 where: bonds (distance) C4'-P energy: -115.674 bonds (distance) P-C4' energy: -131.698 flat angles C4'-P-C4' energy: -132.192 flat angles P-C4'-P energy: -76.249 tors. eta vs tors. theta energy: -12.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3128.080369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.080369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.080369 (E_RNA) where: Base-Base interactions energy: -2177.007 where: short stacking energy: -949.745 Base-Backbone interact. energy: -2.486 local terms energy: -948.587865 where: bonds (distance) C4'-P energy: -163.975 bonds (distance) P-C4' energy: -176.953 flat angles C4'-P-C4' energy: -200.292 flat angles P-C4'-P energy: -137.100 tors. eta vs tors. theta energy: -270.268 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: 5 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -3035.761242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.761242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.761242 (E_RNA) where: Base-Base interactions energy: -2119.668 where: short stacking energy: -929.729 Base-Backbone interact. energy: -0.919 local terms energy: -915.174025 where: bonds (distance) C4'-P energy: -154.839 bonds (distance) P-C4' energy: -165.950 flat angles C4'-P-C4' energy: -200.067 flat angles P-C4'-P energy: -114.438 tors. eta vs tors. theta energy: -279.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2907.042136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.042136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.042136 (E_RNA) where: Base-Base interactions energy: -2036.862 where: short stacking energy: -884.332 Base-Backbone interact. energy: -2.022 local terms energy: -868.157230 where: bonds (distance) C4'-P energy: -160.342 bonds (distance) P-C4' energy: -154.819 flat angles C4'-P-C4' energy: -173.115 flat angles P-C4'-P energy: -124.670 tors. eta vs tors. theta energy: -255.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2773.942722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.942722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.942722 (E_RNA) where: Base-Base interactions energy: -1961.169 where: short stacking energy: -838.546 Base-Backbone interact. energy: -2.159 local terms energy: -810.614396 where: bonds (distance) C4'-P energy: -137.502 bonds (distance) P-C4' energy: -162.384 flat angles C4'-P-C4' energy: -164.127 flat angles P-C4'-P energy: -99.430 tors. eta vs tors. theta energy: -247.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2670.113444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.113444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.113444 (E_RNA) where: Base-Base interactions energy: -1848.397 where: short stacking energy: -830.686 Base-Backbone interact. energy: 2.367 local terms energy: -824.083274 where: bonds (distance) C4'-P energy: -153.439 bonds (distance) P-C4' energy: -140.590 flat angles C4'-P-C4' energy: -166.694 flat angles P-C4'-P energy: -115.028 tors. eta vs tors. theta energy: -248.332 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: 7 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2502.953711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.953711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.953711 (E_RNA) where: Base-Base interactions energy: -1735.864 where: short stacking energy: -738.789 Base-Backbone interact. energy: 3.924 local terms energy: -771.013046 where: bonds (distance) C4'-P energy: -128.461 bonds (distance) P-C4' energy: -152.063 flat angles C4'-P-C4' energy: -159.192 flat angles P-C4'-P energy: -117.051 tors. eta vs tors. theta energy: -214.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2339.976395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.976395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.976395 (E_RNA) where: Base-Base interactions energy: -1612.144 where: short stacking energy: -698.878 Base-Backbone interact. energy: -2.266 local terms energy: -725.566330 where: bonds (distance) C4'-P energy: -109.450 bonds (distance) P-C4' energy: -156.852 flat angles C4'-P-C4' energy: -149.430 flat angles P-C4'-P energy: -117.113 tors. eta vs tors. theta energy: -192.721 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: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -2146.437391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.437391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.437391 (E_RNA) where: Base-Base interactions energy: -1437.161 where: short stacking energy: -653.487 Base-Backbone interact. energy: 2.084 local terms energy: -711.359561 where: bonds (distance) C4'-P energy: -134.864 bonds (distance) P-C4' energy: -156.873 flat angles C4'-P-C4' energy: -141.438 flat angles P-C4'-P energy: -107.625 tors. eta vs tors. theta energy: -170.560 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: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1351.861634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.861634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.861634 (E_RNA) where: Base-Base interactions energy: -835.374 where: short stacking energy: -414.409 Base-Backbone interact. energy: 1.166 local terms energy: -517.653264 where: bonds (distance) C4'-P energy: -121.192 bonds (distance) P-C4' energy: -143.431 flat angles C4'-P-C4' energy: -119.281 flat angles P-C4'-P energy: -78.741 tors. eta vs tors. theta energy: -55.008 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: 9 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1212.709024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.709024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.709024 (E_RNA) where: Base-Base interactions energy: -740.950 where: short stacking energy: -372.448 Base-Backbone interact. energy: -3.143 local terms energy: -468.616508 where: bonds (distance) C4'-P energy: -115.855 bonds (distance) P-C4' energy: -133.972 flat angles C4'-P-C4' energy: -122.722 flat angles P-C4'-P energy: -74.330 tors. eta vs tors. theta energy: -21.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3144.892530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.892530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.892530 (E_RNA) where: Base-Base interactions energy: -2218.110 where: short stacking energy: -959.224 Base-Backbone interact. energy: -4.104 local terms energy: -922.678598 where: bonds (distance) C4'-P energy: -153.400 bonds (distance) P-C4' energy: -156.547 flat angles C4'-P-C4' energy: -198.386 flat angles P-C4'-P energy: -142.631 tors. eta vs tors. theta energy: -271.715 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: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -3056.071717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.071717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.071717 (E_RNA) where: Base-Base interactions energy: -2131.479 where: short stacking energy: -933.511 Base-Backbone interact. energy: -1.416 local terms energy: -923.177175 where: bonds (distance) C4'-P energy: -160.883 bonds (distance) P-C4' energy: -148.142 flat angles C4'-P-C4' energy: -196.093 flat angles P-C4'-P energy: -133.532 tors. eta vs tors. theta energy: -284.527 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: 4 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2912.560002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.560002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.560002 (E_RNA) where: Base-Base interactions energy: -2020.878 where: short stacking energy: -908.580 Base-Backbone interact. energy: -1.815 local terms energy: -889.866455 where: bonds (distance) C4'-P energy: -151.223 bonds (distance) P-C4' energy: -164.958 flat angles C4'-P-C4' energy: -187.660 flat angles P-C4'-P energy: -120.133 tors. eta vs tors. theta energy: -265.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2799.307522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.307522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.307522 (E_RNA) where: Base-Base interactions energy: -1936.928 where: short stacking energy: -841.870 Base-Backbone interact. energy: -1.135 local terms energy: -861.244470 where: bonds (distance) C4'-P energy: -150.288 bonds (distance) P-C4' energy: -155.085 flat angles C4'-P-C4' energy: -186.109 flat angles P-C4'-P energy: -116.755 tors. eta vs tors. theta energy: -253.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2675.472226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.472226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.472226 (E_RNA) where: Base-Base interactions energy: -1840.530 where: short stacking energy: -828.461 Base-Backbone interact. energy: -4.334 local terms energy: -830.608624 where: bonds (distance) C4'-P energy: -148.991 bonds (distance) P-C4' energy: -146.603 flat angles C4'-P-C4' energy: -172.507 flat angles P-C4'-P energy: -123.322 tors. eta vs tors. theta energy: -239.186 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: 7 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2482.159300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.159300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.159300 (E_RNA) where: Base-Base interactions energy: -1714.070 where: short stacking energy: -720.608 Base-Backbone interact. energy: -3.867 local terms energy: -764.221963 where: bonds (distance) C4'-P energy: -147.291 bonds (distance) P-C4' energy: -144.840 flat angles C4'-P-C4' energy: -164.536 flat angles P-C4'-P energy: -94.934 tors. eta vs tors. theta energy: -212.622 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: 260 Temperature: 1.200000 Total energy: -2348.998039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.998039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.998039 (E_RNA) where: Base-Base interactions energy: -1605.610 where: short stacking energy: -723.368 Base-Backbone interact. energy: -4.469 local terms energy: -738.918910 where: bonds (distance) C4'-P energy: -144.933 bonds (distance) P-C4' energy: -124.028 flat angles C4'-P-C4' energy: -167.720 flat angles P-C4'-P energy: -101.769 tors. eta vs tors. theta energy: -200.468 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: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -2161.358523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.358523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.358523 (E_RNA) where: Base-Base interactions energy: -1488.295 where: short stacking energy: -642.828 Base-Backbone interact. energy: -4.226 local terms energy: -668.837091 where: bonds (distance) C4'-P energy: -144.713 bonds (distance) P-C4' energy: -127.133 flat angles C4'-P-C4' energy: -125.128 flat angles P-C4'-P energy: -102.995 tors. eta vs tors. theta energy: -168.868 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: 9, replica: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1266.882264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.882264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.882264 (E_RNA) where: Base-Base interactions energy: -766.364 where: short stacking energy: -373.187 Base-Backbone interact. energy: -0.279 local terms energy: -500.239208 where: bonds (distance) C4'-P energy: -119.688 bonds (distance) P-C4' energy: -137.735 flat angles C4'-P-C4' energy: -116.511 flat angles P-C4'-P energy: -88.775 tors. eta vs tors. theta energy: -37.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1282.028315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.028315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.028315 (E_RNA) where: Base-Base interactions energy: -769.359 where: short stacking energy: -356.561 Base-Backbone interact. energy: 2.362 local terms energy: -515.031283 where: bonds (distance) C4'-P energy: -119.732 bonds (distance) P-C4' energy: -135.813 flat angles C4'-P-C4' energy: -117.145 flat angles P-C4'-P energy: -102.597 tors. eta vs tors. theta energy: -39.745 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: 261 Temperature: 0.900000 Total energy: -3119.323911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.323911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.323911 (E_RNA) where: Base-Base interactions energy: -2197.891 where: short stacking energy: -936.819 Base-Backbone interact. energy: -8.515 local terms energy: -912.918003 where: bonds (distance) C4'-P energy: -155.829 bonds (distance) P-C4' energy: -158.709 flat angles C4'-P-C4' energy: -195.763 flat angles P-C4'-P energy: -131.908 tors. eta vs tors. theta energy: -270.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -3003.789927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.789927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.789927 (E_RNA) where: Base-Base interactions energy: -2097.915 where: short stacking energy: -907.736 Base-Backbone interact. energy: -1.105 local terms energy: -904.769853 where: bonds (distance) C4'-P energy: -161.880 bonds (distance) P-C4' energy: -152.842 flat angles C4'-P-C4' energy: -191.650 flat angles P-C4'-P energy: -122.256 tors. eta vs tors. theta energy: -276.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2904.482574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.482574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.482574 (E_RNA) where: Base-Base interactions energy: -2044.699 where: short stacking energy: -874.027 Base-Backbone interact. energy: -1.414 local terms energy: -858.369309 where: bonds (distance) C4'-P energy: -162.223 bonds (distance) P-C4' energy: -153.270 flat angles C4'-P-C4' energy: -172.856 flat angles P-C4'-P energy: -120.125 tors. eta vs tors. theta energy: -249.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2791.864608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.864608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.864608 (E_RNA) where: Base-Base interactions energy: -1943.490 where: short stacking energy: -846.202 Base-Backbone interact. energy: 1.233 local terms energy: -849.608425 where: bonds (distance) C4'-P energy: -143.478 bonds (distance) P-C4' energy: -159.214 flat angles C4'-P-C4' energy: -166.841 flat angles P-C4'-P energy: -126.863 tors. eta vs tors. theta energy: -253.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2610.761564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.761564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.761564 (E_RNA) where: Base-Base interactions energy: -1806.449 where: short stacking energy: -792.052 Base-Backbone interact. energy: -0.829 local terms energy: -803.483416 where: bonds (distance) C4'-P energy: -136.097 bonds (distance) P-C4' energy: -155.657 flat angles C4'-P-C4' energy: -163.279 flat angles P-C4'-P energy: -115.701 tors. eta vs tors. theta energy: -232.750 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: 261 Temperature: 1.150000 Total energy: -2411.534235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.534235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.534235 (E_RNA) where: Base-Base interactions energy: -1680.208 where: short stacking energy: -728.661 Base-Backbone interact. energy: 1.096 local terms energy: -732.421721 where: bonds (distance) C4'-P energy: -115.617 bonds (distance) P-C4' energy: -151.629 flat angles C4'-P-C4' energy: -165.660 flat angles P-C4'-P energy: -104.899 tors. eta vs tors. theta energy: -194.616 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: 6 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2402.879927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.879927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.879927 (E_RNA) where: Base-Base interactions energy: -1661.543 where: short stacking energy: -715.178 Base-Backbone interact. energy: -1.144 local terms energy: -740.193466 where: bonds (distance) C4'-P energy: -123.060 bonds (distance) P-C4' energy: -136.266 flat angles C4'-P-C4' energy: -166.308 flat angles P-C4'-P energy: -109.542 tors. eta vs tors. theta energy: -205.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -2133.381736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.381736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.381736 (E_RNA) where: Base-Base interactions energy: -1425.496 where: short stacking energy: -645.810 Base-Backbone interact. energy: -2.329 local terms energy: -705.556590 where: bonds (distance) C4'-P energy: -140.994 bonds (distance) P-C4' energy: -143.143 flat angles C4'-P-C4' energy: -156.601 flat angles P-C4'-P energy: -94.386 tors. eta vs tors. theta energy: -170.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1279.742007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.742007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.742007 (E_RNA) where: Base-Base interactions energy: -777.539 where: short stacking energy: -394.611 Base-Backbone interact. energy: 5.415 local terms energy: -507.618154 where: bonds (distance) C4'-P energy: -132.024 bonds (distance) P-C4' energy: -137.393 flat angles C4'-P-C4' energy: -132.045 flat angles P-C4'-P energy: -67.533 tors. eta vs tors. theta energy: -38.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1259.992782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.992782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.992782 (E_RNA) where: Base-Base interactions energy: -776.131 where: short stacking energy: -390.612 Base-Backbone interact. energy: 1.232 local terms energy: -485.093696 where: bonds (distance) C4'-P energy: -112.604 bonds (distance) P-C4' energy: -127.434 flat angles C4'-P-C4' energy: -129.355 flat angles P-C4'-P energy: -79.995 tors. eta vs tors. theta energy: -35.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3108.356618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.356618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.356618 (E_RNA) where: Base-Base interactions energy: -2176.410 where: short stacking energy: -927.969 Base-Backbone interact. energy: -3.723 local terms energy: -928.224112 where: bonds (distance) C4'-P energy: -161.104 bonds (distance) P-C4' energy: -177.307 flat angles C4'-P-C4' energy: -198.599 flat angles P-C4'-P energy: -130.058 tors. eta vs tors. theta energy: -261.156 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: 2, replica: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -3003.707349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.707349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.707349 (E_RNA) where: Base-Base interactions energy: -2109.391 where: short stacking energy: -918.514 Base-Backbone interact. energy: -1.636 local terms energy: -892.680315 where: bonds (distance) C4'-P energy: -143.435 bonds (distance) P-C4' energy: -148.988 flat angles C4'-P-C4' energy: -179.665 flat angles P-C4'-P energy: -150.667 tors. eta vs tors. theta energy: -269.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2915.797151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.797151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.797151 (E_RNA) where: Base-Base interactions energy: -2061.747 where: short stacking energy: -867.647 Base-Backbone interact. energy: -0.010 local terms energy: -854.039439 where: bonds (distance) C4'-P energy: -149.987 bonds (distance) P-C4' energy: -160.095 flat angles C4'-P-C4' energy: -186.487 flat angles P-C4'-P energy: -106.123 tors. eta vs tors. theta energy: -251.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2814.278758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.278758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.278758 (E_RNA) where: Base-Base interactions energy: -1931.801 where: short stacking energy: -846.490 Base-Backbone interact. energy: -2.273 local terms energy: -880.204616 where: bonds (distance) C4'-P energy: -152.129 bonds (distance) P-C4' energy: -167.345 flat angles C4'-P-C4' energy: -183.803 flat angles P-C4'-P energy: -123.515 tors. eta vs tors. theta energy: -253.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2662.881550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.881550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.881550 (E_RNA) where: Base-Base interactions energy: -1803.478 where: short stacking energy: -802.730 Base-Backbone interact. energy: -1.144 local terms energy: -858.259995 where: bonds (distance) C4'-P energy: -145.701 bonds (distance) P-C4' energy: -151.339 flat angles C4'-P-C4' energy: -179.343 flat angles P-C4'-P energy: -123.786 tors. eta vs tors. theta energy: -258.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2429.381001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.381001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.381001 (E_RNA) where: Base-Base interactions energy: -1670.322 where: short stacking energy: -740.959 Base-Backbone interact. energy: 4.540 local terms energy: -763.599307 where: bonds (distance) C4'-P energy: -127.260 bonds (distance) P-C4' energy: -157.326 flat angles C4'-P-C4' energy: -172.939 flat angles P-C4'-P energy: -110.428 tors. eta vs tors. theta energy: -195.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2433.037823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.037823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.037823 (E_RNA) where: Base-Base interactions energy: -1692.574 where: short stacking energy: -718.105 Base-Backbone interact. energy: 0.037 local terms energy: -740.500474 where: bonds (distance) C4'-P energy: -123.618 bonds (distance) P-C4' energy: -133.884 flat angles C4'-P-C4' energy: -163.999 flat angles P-C4'-P energy: -112.532 tors. eta vs tors. theta energy: -206.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -2075.572943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.572943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.572943 (E_RNA) where: Base-Base interactions energy: -1390.439 where: short stacking energy: -652.961 Base-Backbone interact. energy: -0.923 local terms energy: -684.210537 where: bonds (distance) C4'-P energy: -137.404 bonds (distance) P-C4' energy: -120.297 flat angles C4'-P-C4' energy: -161.936 flat angles P-C4'-P energy: -95.441 tors. eta vs tors. theta energy: -169.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1280.182831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.182831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.182831 (E_RNA) where: Base-Base interactions energy: -777.251 where: short stacking energy: -386.865 Base-Backbone interact. energy: -0.282 local terms energy: -502.650280 where: bonds (distance) C4'-P energy: -127.498 bonds (distance) P-C4' energy: -114.926 flat angles C4'-P-C4' energy: -127.568 flat angles P-C4'-P energy: -99.260 tors. eta vs tors. theta energy: -33.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1226.646604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.646604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.646604 (E_RNA) where: Base-Base interactions energy: -720.663 where: short stacking energy: -390.025 Base-Backbone interact. energy: 7.406 local terms energy: -513.390084 where: bonds (distance) C4'-P energy: -136.206 bonds (distance) P-C4' energy: -141.516 flat angles C4'-P-C4' energy: -135.865 flat angles P-C4'-P energy: -55.739 tors. eta vs tors. theta energy: -44.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3163.414104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.414104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.414104 (E_RNA) where: Base-Base interactions energy: -2220.197 where: short stacking energy: -941.463 Base-Backbone interact. energy: -5.972 local terms energy: -937.245797 where: bonds (distance) C4'-P energy: -174.456 bonds (distance) P-C4' energy: -164.156 flat angles C4'-P-C4' energy: -193.073 flat angles P-C4'-P energy: -131.752 tors. eta vs tors. theta energy: -273.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2999.652138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.652138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.652138 (E_RNA) where: Base-Base interactions energy: -2093.755 where: short stacking energy: -897.255 Base-Backbone interact. energy: 8.180 local terms energy: -914.076456 where: bonds (distance) C4'-P energy: -152.472 bonds (distance) P-C4' energy: -163.938 flat angles C4'-P-C4' energy: -198.439 flat angles P-C4'-P energy: -129.012 tors. eta vs tors. theta energy: -270.215 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: 4 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2893.418831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.418831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.418831 (E_RNA) where: Base-Base interactions energy: -2041.307 where: short stacking energy: -880.547 Base-Backbone interact. energy: -7.532 local terms energy: -844.579748 where: bonds (distance) C4'-P energy: -136.569 bonds (distance) P-C4' energy: -151.932 flat angles C4'-P-C4' energy: -186.684 flat angles P-C4'-P energy: -119.744 tors. eta vs tors. theta energy: -249.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2719.096698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.096698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.096698 (E_RNA) where: Base-Base interactions energy: -1863.133 where: short stacking energy: -820.362 Base-Backbone interact. energy: -2.085 local terms energy: -853.878982 where: bonds (distance) C4'-P energy: -160.380 bonds (distance) P-C4' energy: -145.640 flat angles C4'-P-C4' energy: -178.752 flat angles P-C4'-P energy: -122.011 tors. eta vs tors. theta energy: -247.096 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: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2741.783298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.783298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.783298 (E_RNA) where: Base-Base interactions energy: -1912.601 where: short stacking energy: -825.273 Base-Backbone interact. energy: -3.390 local terms energy: -825.792266 where: bonds (distance) C4'-P energy: -147.545 bonds (distance) P-C4' energy: -146.914 flat angles C4'-P-C4' energy: -169.374 flat angles P-C4'-P energy: -112.216 tors. eta vs tors. theta energy: -249.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2504.625613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.625613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.625613 (E_RNA) where: Base-Base interactions energy: -1747.267 where: short stacking energy: -780.275 Base-Backbone interact. energy: -4.542 local terms energy: -752.817381 where: bonds (distance) C4'-P energy: -130.983 bonds (distance) P-C4' energy: -148.465 flat angles C4'-P-C4' energy: -169.875 flat angles P-C4'-P energy: -93.045 tors. eta vs tors. theta energy: -210.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2403.240506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.240506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.240506 (E_RNA) where: Base-Base interactions energy: -1678.351 where: short stacking energy: -726.499 Base-Backbone interact. energy: -4.019 local terms energy: -720.870256 where: bonds (distance) C4'-P energy: -120.199 bonds (distance) P-C4' energy: -140.706 flat angles C4'-P-C4' energy: -157.884 flat angles P-C4'-P energy: -110.087 tors. eta vs tors. theta energy: -191.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -2033.025472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.025472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.025472 (E_RNA) where: Base-Base interactions energy: -1336.344 where: short stacking energy: -604.093 Base-Backbone interact. energy: -2.820 local terms energy: -693.861455 where: bonds (distance) C4'-P energy: -147.657 bonds (distance) P-C4' energy: -153.993 flat angles C4'-P-C4' energy: -151.306 flat angles P-C4'-P energy: -88.190 tors. eta vs tors. theta energy: -152.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1243.386802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.386802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.386802 (E_RNA) where: Base-Base interactions energy: -744.120 where: short stacking energy: -359.826 Base-Backbone interact. energy: 2.371 local terms energy: -501.638192 where: bonds (distance) C4'-P energy: -126.850 bonds (distance) P-C4' energy: -140.159 flat angles C4'-P-C4' energy: -116.636 flat angles P-C4'-P energy: -82.966 tors. eta vs tors. theta energy: -35.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1299.062067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.062067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.062067 (E_RNA) where: Base-Base interactions energy: -802.670 where: short stacking energy: -402.565 Base-Backbone interact. energy: 1.373 local terms energy: -497.765646 where: bonds (distance) C4'-P energy: -127.633 bonds (distance) P-C4' energy: -129.571 flat angles C4'-P-C4' energy: -134.569 flat angles P-C4'-P energy: -58.685 tors. eta vs tors. theta energy: -47.308 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: 3 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3133.902955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.902955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.902955 (E_RNA) where: Base-Base interactions energy: -2198.197 where: short stacking energy: -941.313 Base-Backbone interact. energy: -7.054 local terms energy: -928.652293 where: bonds (distance) C4'-P energy: -167.986 bonds (distance) P-C4' energy: -145.886 flat angles C4'-P-C4' energy: -207.506 flat angles P-C4'-P energy: -132.928 tors. eta vs tors. theta energy: -274.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2992.495579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.495579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.495579 (E_RNA) where: Base-Base interactions energy: -2067.266 where: short stacking energy: -918.570 Base-Backbone interact. energy: -3.089 local terms energy: -922.140304 where: bonds (distance) C4'-P energy: -164.550 bonds (distance) P-C4' energy: -175.896 flat angles C4'-P-C4' energy: -182.311 flat angles P-C4'-P energy: -132.020 tors. eta vs tors. theta energy: -267.362 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: 3, replica: 4 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2885.961817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.961817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.961817 (E_RNA) where: Base-Base interactions energy: -2015.499 where: short stacking energy: -850.342 Base-Backbone interact. energy: -3.874 local terms energy: -866.589345 where: bonds (distance) C4'-P energy: -155.815 bonds (distance) P-C4' energy: -175.852 flat angles C4'-P-C4' energy: -176.199 flat angles P-C4'-P energy: -103.580 tors. eta vs tors. theta energy: -255.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2719.984967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.984967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.984967 (E_RNA) where: Base-Base interactions energy: -1882.445 where: short stacking energy: -828.102 Base-Backbone interact. energy: -1.029 local terms energy: -836.510721 where: bonds (distance) C4'-P energy: -134.477 bonds (distance) P-C4' energy: -158.466 flat angles C4'-P-C4' energy: -175.890 flat angles P-C4'-P energy: -130.324 tors. eta vs tors. theta energy: -237.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2748.351608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.351608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.351608 (E_RNA) where: Base-Base interactions energy: -1899.714 where: short stacking energy: -839.584 Base-Backbone interact. energy: -1.549 local terms energy: -847.089174 where: bonds (distance) C4'-P energy: -143.129 bonds (distance) P-C4' energy: -144.402 flat angles C4'-P-C4' energy: -184.010 flat angles P-C4'-P energy: -129.425 tors. eta vs tors. theta energy: -246.124 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: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2482.952608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.952608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.952608 (E_RNA) where: Base-Base interactions energy: -1691.956 where: short stacking energy: -758.943 Base-Backbone interact. energy: -0.097 local terms energy: -790.899781 where: bonds (distance) C4'-P energy: -156.290 bonds (distance) P-C4' energy: -140.623 flat angles C4'-P-C4' energy: -170.585 flat angles P-C4'-P energy: -103.311 tors. eta vs tors. theta energy: -220.091 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: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2357.350687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.350687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.350687 (E_RNA) where: Base-Base interactions energy: -1610.999 where: short stacking energy: -681.614 Base-Backbone interact. energy: -1.364 local terms energy: -744.987062 where: bonds (distance) C4'-P energy: -142.643 bonds (distance) P-C4' energy: -139.299 flat angles C4'-P-C4' energy: -158.898 flat angles P-C4'-P energy: -110.897 tors. eta vs tors. theta energy: -193.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -2050.559048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.559048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.559048 (E_RNA) where: Base-Base interactions energy: -1373.517 where: short stacking energy: -615.034 Base-Backbone interact. energy: 2.877 local terms energy: -679.919201 where: bonds (distance) C4'-P energy: -124.059 bonds (distance) P-C4' energy: -150.985 flat angles C4'-P-C4' energy: -146.273 flat angles P-C4'-P energy: -92.155 tors. eta vs tors. theta energy: -166.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1315.844461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.844461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.844461 (E_RNA) where: Base-Base interactions energy: -785.249 where: short stacking energy: -395.686 Base-Backbone interact. energy: 2.902 local terms energy: -533.496831 where: bonds (distance) C4'-P energy: -145.548 bonds (distance) P-C4' energy: -143.968 flat angles C4'-P-C4' energy: -126.775 flat angles P-C4'-P energy: -74.636 tors. eta vs tors. theta energy: -42.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1253.052914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.052914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.052914 (E_RNA) where: Base-Base interactions energy: -774.908 where: short stacking energy: -375.200 Base-Backbone interact. energy: 0.028 local terms energy: -478.172490 where: bonds (distance) C4'-P energy: -118.469 bonds (distance) P-C4' energy: -128.912 flat angles C4'-P-C4' energy: -114.259 flat angles P-C4'-P energy: -64.292 tors. eta vs tors. theta energy: -52.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3114.719840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.719840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.719840 (E_RNA) where: Base-Base interactions energy: -2196.091 where: short stacking energy: -950.416 Base-Backbone interact. energy: -1.286 local terms energy: -917.342525 where: bonds (distance) C4'-P energy: -164.191 bonds (distance) P-C4' energy: -161.023 flat angles C4'-P-C4' energy: -202.728 flat angles P-C4'-P energy: -124.499 tors. eta vs tors. theta energy: -264.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -3029.492521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.492521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.492521 (E_RNA) where: Base-Base interactions energy: -2080.304 where: short stacking energy: -913.957 Base-Backbone interact. energy: -4.727 local terms energy: -944.462255 where: bonds (distance) C4'-P energy: -150.839 bonds (distance) P-C4' energy: -179.080 flat angles C4'-P-C4' energy: -204.733 flat angles P-C4'-P energy: -136.858 tors. eta vs tors. theta energy: -272.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2855.574104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.574104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.574104 (E_RNA) where: Base-Base interactions energy: -1993.786 where: short stacking energy: -839.932 Base-Backbone interact. energy: -5.029 local terms energy: -856.759320 where: bonds (distance) C4'-P energy: -147.103 bonds (distance) P-C4' energy: -165.131 flat angles C4'-P-C4' energy: -184.225 flat angles P-C4'-P energy: -114.175 tors. eta vs tors. theta energy: -246.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2753.726024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.726024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.726024 (E_RNA) where: Base-Base interactions energy: -1902.780 where: short stacking energy: -857.764 Base-Backbone interact. energy: 0.824 local terms energy: -851.770416 where: bonds (distance) C4'-P energy: -143.156 bonds (distance) P-C4' energy: -148.867 flat angles C4'-P-C4' energy: -178.159 flat angles P-C4'-P energy: -124.440 tors. eta vs tors. theta energy: -257.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2680.200562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.200562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.200562 (E_RNA) where: Base-Base interactions energy: -1879.990 where: short stacking energy: -842.905 Base-Backbone interact. energy: -3.615 local terms energy: -796.595634 where: bonds (distance) C4'-P energy: -113.227 bonds (distance) P-C4' energy: -145.170 flat angles C4'-P-C4' energy: -171.837 flat angles P-C4'-P energy: -124.759 tors. eta vs tors. theta energy: -241.604 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: 6 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2444.431263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.431263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.431263 (E_RNA) where: Base-Base interactions energy: -1671.390 where: short stacking energy: -727.209 Base-Backbone interact. energy: 1.467 local terms energy: -774.507495 where: bonds (distance) C4'-P energy: -143.739 bonds (distance) P-C4' energy: -155.825 flat angles C4'-P-C4' energy: -173.652 flat angles P-C4'-P energy: -107.533 tors. eta vs tors. theta energy: -193.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2380.306342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.306342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.306342 (E_RNA) where: Base-Base interactions energy: -1624.370 where: short stacking energy: -715.772 Base-Backbone interact. energy: -0.640 local terms energy: -755.296369 where: bonds (distance) C4'-P energy: -136.243 bonds (distance) P-C4' energy: -152.503 flat angles C4'-P-C4' energy: -152.703 flat angles P-C4'-P energy: -105.139 tors. eta vs tors. theta energy: -208.709 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: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -2027.636813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.636813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.636813 (E_RNA) where: Base-Base interactions energy: -1333.947 where: short stacking energy: -608.931 Base-Backbone interact. energy: 2.274 local terms energy: -695.963441 where: bonds (distance) C4'-P energy: -134.811 bonds (distance) P-C4' energy: -136.914 flat angles C4'-P-C4' energy: -167.707 flat angles P-C4'-P energy: -94.086 tors. eta vs tors. theta energy: -162.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1304.806595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.806595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.806595 (E_RNA) where: Base-Base interactions energy: -774.015 where: short stacking energy: -390.265 Base-Backbone interact. energy: 3.477 local terms energy: -534.268504 where: bonds (distance) C4'-P energy: -129.831 bonds (distance) P-C4' energy: -137.503 flat angles C4'-P-C4' energy: -124.278 flat angles P-C4'-P energy: -92.481 tors. eta vs tors. theta energy: -50.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1175.914693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.914693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.914693 (E_RNA) where: Base-Base interactions energy: -677.217 where: short stacking energy: -315.890 Base-Backbone interact. energy: 1.684 local terms energy: -500.382226 where: bonds (distance) C4'-P energy: -116.532 bonds (distance) P-C4' energy: -139.851 flat angles C4'-P-C4' energy: -141.279 flat angles P-C4'-P energy: -100.929 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3090.518272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.518272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.518272 (E_RNA) where: Base-Base interactions energy: -2173.260 where: short stacking energy: -923.936 Base-Backbone interact. energy: -5.074 local terms energy: -912.184506 where: bonds (distance) C4'-P energy: -161.926 bonds (distance) P-C4' energy: -163.123 flat angles C4'-P-C4' energy: -191.074 flat angles P-C4'-P energy: -130.609 tors. eta vs tors. theta energy: -265.453 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: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -3033.611754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.611754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.611754 (E_RNA) where: Base-Base interactions energy: -2111.321 where: short stacking energy: -914.853 Base-Backbone interact. energy: 0.273 local terms energy: -922.563648 where: bonds (distance) C4'-P energy: -160.250 bonds (distance) P-C4' energy: -166.048 flat angles C4'-P-C4' energy: -191.174 flat angles P-C4'-P energy: -134.704 tors. eta vs tors. theta energy: -270.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2883.576936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.576936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.576936 (E_RNA) where: Base-Base interactions energy: -1989.085 where: short stacking energy: -857.322 Base-Backbone interact. energy: -1.696 local terms energy: -892.795723 where: bonds (distance) C4'-P energy: -170.361 bonds (distance) P-C4' energy: -173.901 flat angles C4'-P-C4' energy: -179.345 flat angles P-C4'-P energy: -107.430 tors. eta vs tors. theta energy: -261.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2779.237103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.237103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.237103 (E_RNA) where: Base-Base interactions energy: -1937.905 where: short stacking energy: -848.942 Base-Backbone interact. energy: 1.920 local terms energy: -843.252414 where: bonds (distance) C4'-P energy: -153.380 bonds (distance) P-C4' energy: -162.897 flat angles C4'-P-C4' energy: -178.011 flat angles P-C4'-P energy: -113.967 tors. eta vs tors. theta energy: -234.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2709.605287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.605287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.605287 (E_RNA) where: Base-Base interactions energy: -1872.427 where: short stacking energy: -812.640 Base-Backbone interact. energy: -4.432 local terms energy: -832.745865 where: bonds (distance) C4'-P energy: -154.811 bonds (distance) P-C4' energy: -141.125 flat angles C4'-P-C4' energy: -170.772 flat angles P-C4'-P energy: -112.894 tors. eta vs tors. theta energy: -253.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2450.564023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.564023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.564023 (E_RNA) where: Base-Base interactions energy: -1689.451 where: short stacking energy: -746.908 Base-Backbone interact. energy: -3.597 local terms energy: -757.516051 where: bonds (distance) C4'-P energy: -131.108 bonds (distance) P-C4' energy: -143.215 flat angles C4'-P-C4' energy: -174.617 flat angles P-C4'-P energy: -100.667 tors. eta vs tors. theta energy: -207.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2336.017061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.017061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.017061 (E_RNA) where: Base-Base interactions energy: -1563.082 where: short stacking energy: -680.950 Base-Backbone interact. energy: -3.601 local terms energy: -769.334195 where: bonds (distance) C4'-P energy: -153.400 bonds (distance) P-C4' energy: -148.260 flat angles C4'-P-C4' energy: -167.410 flat angles P-C4'-P energy: -102.174 tors. eta vs tors. theta energy: -198.091 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: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -2075.166533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.166533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.166533 (E_RNA) where: Base-Base interactions energy: -1366.004 where: short stacking energy: -622.617 Base-Backbone interact. energy: 1.790 local terms energy: -710.952926 where: bonds (distance) C4'-P energy: -160.078 bonds (distance) P-C4' energy: -134.295 flat angles C4'-P-C4' energy: -158.498 flat angles P-C4'-P energy: -93.140 tors. eta vs tors. theta energy: -164.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1314.172036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.172036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.172036 (E_RNA) where: Base-Base interactions energy: -772.378 where: short stacking energy: -365.381 Base-Backbone interact. energy: -1.884 local terms energy: -539.909780 where: bonds (distance) C4'-P energy: -131.825 bonds (distance) P-C4' energy: -155.266 flat angles C4'-P-C4' energy: -119.569 flat angles P-C4'-P energy: -91.603 tors. eta vs tors. theta energy: -41.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1289.315060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.315060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.315060 (E_RNA) where: Base-Base interactions energy: -773.637 where: short stacking energy: -381.154 Base-Backbone interact. energy: 6.051 local terms energy: -521.729420 where: bonds (distance) C4'-P energy: -115.544 bonds (distance) P-C4' energy: -145.195 flat angles C4'-P-C4' energy: -138.661 flat angles P-C4'-P energy: -78.972 tors. eta vs tors. theta energy: -43.357 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: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3136.521679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.521679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.521679 (E_RNA) where: Base-Base interactions energy: -2238.000 where: short stacking energy: -958.378 Base-Backbone interact. energy: -1.813 local terms energy: -896.707983 where: bonds (distance) C4'-P energy: -154.822 bonds (distance) P-C4' energy: -153.960 flat angles C4'-P-C4' energy: -190.789 flat angles P-C4'-P energy: -125.796 tors. eta vs tors. theta energy: -271.340 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: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -3034.308350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.308350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.308350 (E_RNA) where: Base-Base interactions energy: -2106.879 where: short stacking energy: -913.611 Base-Backbone interact. energy: -4.657 local terms energy: -922.772086 where: bonds (distance) C4'-P energy: -166.914 bonds (distance) P-C4' energy: -165.270 flat angles C4'-P-C4' energy: -197.464 flat angles P-C4'-P energy: -119.342 tors. eta vs tors. theta energy: -273.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2917.132589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.132589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.132589 (E_RNA) where: Base-Base interactions energy: -2050.135 where: short stacking energy: -912.907 Base-Backbone interact. energy: -6.868 local terms energy: -860.129603 where: bonds (distance) C4'-P energy: -136.166 bonds (distance) P-C4' energy: -134.657 flat angles C4'-P-C4' energy: -189.798 flat angles P-C4'-P energy: -130.270 tors. eta vs tors. theta energy: -269.240 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: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2820.417346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.417346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.417346 (E_RNA) where: Base-Base interactions energy: -1939.925 where: short stacking energy: -857.066 Base-Backbone interact. energy: -2.331 local terms energy: -878.161821 where: bonds (distance) C4'-P energy: -161.598 bonds (distance) P-C4' energy: -168.029 flat angles C4'-P-C4' energy: -168.727 flat angles P-C4'-P energy: -121.536 tors. eta vs tors. theta energy: -258.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2631.081732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.081732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.081732 (E_RNA) where: Base-Base interactions energy: -1850.299 where: short stacking energy: -781.437 Base-Backbone interact. energy: -1.598 local terms energy: -779.184713 where: bonds (distance) C4'-P energy: -136.229 bonds (distance) P-C4' energy: -133.045 flat angles C4'-P-C4' energy: -168.698 flat angles P-C4'-P energy: -115.972 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: 6, replica: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2523.695917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.695917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.695917 (E_RNA) where: Base-Base interactions energy: -1738.964 where: short stacking energy: -761.946 Base-Backbone interact. energy: -4.043 local terms energy: -780.689120 where: bonds (distance) C4'-P energy: -128.277 bonds (distance) P-C4' energy: -157.642 flat angles C4'-P-C4' energy: -169.693 flat angles P-C4'-P energy: -111.954 tors. eta vs tors. theta energy: -213.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2288.583938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.583938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.583938 (E_RNA) where: Base-Base interactions energy: -1554.065 where: short stacking energy: -669.849 Base-Backbone interact. energy: -2.416 local terms energy: -732.102595 where: bonds (distance) C4'-P energy: -123.071 bonds (distance) P-C4' energy: -154.130 flat angles C4'-P-C4' energy: -161.510 flat angles P-C4'-P energy: -114.065 tors. eta vs tors. theta energy: -179.327 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: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -2049.948114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.948114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.948114 (E_RNA) where: Base-Base interactions energy: -1378.593 where: short stacking energy: -605.257 Base-Backbone interact. energy: -0.790 local terms energy: -670.565154 where: bonds (distance) C4'-P energy: -117.030 bonds (distance) P-C4' energy: -144.713 flat angles C4'-P-C4' energy: -147.407 flat angles P-C4'-P energy: -116.175 tors. eta vs tors. theta energy: -145.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1285.086379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.086379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.086379 (E_RNA) where: Base-Base interactions energy: -770.948 where: short stacking energy: -377.392 Base-Backbone interact. energy: -0.698 local terms energy: -513.439596 where: bonds (distance) C4'-P energy: -146.332 bonds (distance) P-C4' energy: -127.195 flat angles C4'-P-C4' energy: -126.730 flat angles P-C4'-P energy: -70.719 tors. eta vs tors. theta energy: -42.463 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: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1269.124457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.124457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.124457 (E_RNA) where: Base-Base interactions energy: -788.165 where: short stacking energy: -377.520 Base-Backbone interact. energy: -2.010 local terms energy: -478.949159 where: bonds (distance) C4'-P energy: -130.833 bonds (distance) P-C4' energy: -124.958 flat angles C4'-P-C4' energy: -104.135 flat angles P-C4'-P energy: -73.683 tors. eta vs tors. theta energy: -45.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3124.213228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.213228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.213228 (E_RNA) where: Base-Base interactions energy: -2200.654 where: short stacking energy: -946.755 Base-Backbone interact. energy: -0.867 local terms energy: -922.691851 where: bonds (distance) C4'-P energy: -175.084 bonds (distance) P-C4' energy: -155.273 flat angles C4'-P-C4' energy: -195.386 flat angles P-C4'-P energy: -125.025 tors. eta vs tors. theta energy: -271.923 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: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -3001.915753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.915753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.915753 (E_RNA) where: Base-Base interactions energy: -2078.977 where: short stacking energy: -903.043 Base-Backbone interact. energy: -5.826 local terms energy: -917.112683 where: bonds (distance) C4'-P energy: -155.503 bonds (distance) P-C4' energy: -171.495 flat angles C4'-P-C4' energy: -192.257 flat angles P-C4'-P energy: -134.242 tors. eta vs tors. theta energy: -263.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2903.224045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.224045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.224045 (E_RNA) where: Base-Base interactions energy: -2043.556 where: short stacking energy: -848.434 Base-Backbone interact. energy: -2.304 local terms energy: -857.364487 where: bonds (distance) C4'-P energy: -145.107 bonds (distance) P-C4' energy: -147.731 flat angles C4'-P-C4' energy: -180.138 flat angles P-C4'-P energy: -130.178 tors. eta vs tors. theta energy: -254.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2778.462081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.462081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.462081 (E_RNA) where: Base-Base interactions energy: -1939.753 where: short stacking energy: -844.312 Base-Backbone interact. energy: -4.879 local terms energy: -833.829729 where: bonds (distance) C4'-P energy: -142.313 bonds (distance) P-C4' energy: -160.059 flat angles C4'-P-C4' energy: -163.362 flat angles P-C4'-P energy: -119.605 tors. eta vs tors. theta energy: -248.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2679.791657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.791657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.791657 (E_RNA) where: Base-Base interactions energy: -1832.147 where: short stacking energy: -799.938 Base-Backbone interact. energy: -1.171 local terms energy: -846.473161 where: bonds (distance) C4'-P energy: -152.871 bonds (distance) P-C4' energy: -158.279 flat angles C4'-P-C4' energy: -172.352 flat angles P-C4'-P energy: -116.257 tors. eta vs tors. theta energy: -246.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2469.884665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.884665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.884665 (E_RNA) where: Base-Base interactions energy: -1708.541 where: short stacking energy: -745.171 Base-Backbone interact. energy: -5.221 local terms energy: -756.122426 where: bonds (distance) C4'-P energy: -125.964 bonds (distance) P-C4' energy: -140.599 flat angles C4'-P-C4' energy: -177.418 flat angles P-C4'-P energy: -110.893 tors. eta vs tors. theta energy: -201.249 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: 7 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2303.099187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.099187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.099187 (E_RNA) where: Base-Base interactions energy: -1573.596 where: short stacking energy: -700.704 Base-Backbone interact. energy: 6.842 local terms energy: -736.345689 where: bonds (distance) C4'-P energy: -144.463 bonds (distance) P-C4' energy: -145.895 flat angles C4'-P-C4' energy: -158.307 flat angles P-C4'-P energy: -102.431 tors. eta vs tors. theta energy: -185.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -2134.644629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.644629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.644629 (E_RNA) where: Base-Base interactions energy: -1423.849 where: short stacking energy: -634.348 Base-Backbone interact. energy: -0.221 local terms energy: -710.574430 where: bonds (distance) C4'-P energy: -138.827 bonds (distance) P-C4' energy: -149.078 flat angles C4'-P-C4' energy: -156.493 flat angles P-C4'-P energy: -105.177 tors. eta vs tors. theta energy: -160.999 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: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1331.977961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.977961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.977961 (E_RNA) where: Base-Base interactions energy: -790.091 where: short stacking energy: -390.723 Base-Backbone interact. energy: 0.547 local terms energy: -542.434002 where: bonds (distance) C4'-P energy: -129.815 bonds (distance) P-C4' energy: -153.590 flat angles C4'-P-C4' energy: -141.923 flat angles P-C4'-P energy: -63.528 tors. eta vs tors. theta energy: -53.578 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: 9 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1282.364697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.364697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.364697 (E_RNA) where: Base-Base interactions energy: -757.109 where: short stacking energy: -402.649 Base-Backbone interact. energy: 4.739 local terms energy: -529.994883 where: bonds (distance) C4'-P energy: -131.406 bonds (distance) P-C4' energy: -125.408 flat angles C4'-P-C4' energy: -130.821 flat angles P-C4'-P energy: -78.247 tors. eta vs tors. theta energy: -64.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3105.355917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.355917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.355917 (E_RNA) where: Base-Base interactions energy: -2181.281 where: short stacking energy: -905.763 Base-Backbone interact. energy: -2.382 local terms energy: -921.692425 where: bonds (distance) C4'-P energy: -167.133 bonds (distance) P-C4' energy: -169.974 flat angles C4'-P-C4' energy: -184.835 flat angles P-C4'-P energy: -132.557 tors. eta vs tors. theta energy: -267.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -3008.874076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.874076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.874076 (E_RNA) where: Base-Base interactions energy: -2109.030 where: short stacking energy: -916.024 Base-Backbone interact. energy: -0.336 local terms energy: -899.507620 where: bonds (distance) C4'-P energy: -151.766 bonds (distance) P-C4' energy: -160.856 flat angles C4'-P-C4' energy: -184.286 flat angles P-C4'-P energy: -135.184 tors. eta vs tors. theta energy: -267.416 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: 4 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2913.669106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.669106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.669106 (E_RNA) where: Base-Base interactions energy: -2019.474 where: short stacking energy: -890.433 Base-Backbone interact. energy: -4.595 local terms energy: -889.599897 where: bonds (distance) C4'-P energy: -157.255 bonds (distance) P-C4' energy: -156.576 flat angles C4'-P-C4' energy: -192.494 flat angles P-C4'-P energy: -123.646 tors. eta vs tors. theta energy: -259.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2789.490855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.490855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.490855 (E_RNA) where: Base-Base interactions energy: -1923.408 where: short stacking energy: -863.335 Base-Backbone interact. energy: 0.342 local terms energy: -866.425564 where: bonds (distance) C4'-P energy: -148.280 bonds (distance) P-C4' energy: -158.561 flat angles C4'-P-C4' energy: -165.877 flat angles P-C4'-P energy: -133.156 tors. eta vs tors. theta energy: -260.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2658.299289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.299289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.299289 (E_RNA) where: Base-Base interactions energy: -1818.731 where: short stacking energy: -804.701 Base-Backbone interact. energy: -0.835 local terms energy: -838.733101 where: bonds (distance) C4'-P energy: -148.409 bonds (distance) P-C4' energy: -160.095 flat angles C4'-P-C4' energy: -179.073 flat angles P-C4'-P energy: -106.781 tors. eta vs tors. theta energy: -244.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2559.908675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.908675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.908675 (E_RNA) where: Base-Base interactions energy: -1780.182 where: short stacking energy: -771.339 Base-Backbone interact. energy: -3.321 local terms energy: -776.405178 where: bonds (distance) C4'-P energy: -147.324 bonds (distance) P-C4' energy: -123.200 flat angles C4'-P-C4' energy: -180.514 flat angles P-C4'-P energy: -102.301 tors. eta vs tors. theta energy: -223.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2363.797773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.797773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.797773 (E_RNA) where: Base-Base interactions energy: -1626.582 where: short stacking energy: -704.175 Base-Backbone interact. energy: -2.173 local terms energy: -735.042948 where: bonds (distance) C4'-P energy: -127.316 bonds (distance) P-C4' energy: -135.728 flat angles C4'-P-C4' energy: -154.680 flat angles P-C4'-P energy: -122.247 tors. eta vs tors. theta energy: -195.072 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: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -2030.423132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.423132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.423132 (E_RNA) where: Base-Base interactions energy: -1359.417 where: short stacking energy: -593.562 Base-Backbone interact. energy: -1.821 local terms energy: -669.185818 where: bonds (distance) C4'-P energy: -129.985 bonds (distance) P-C4' energy: -142.780 flat angles C4'-P-C4' energy: -140.523 flat angles P-C4'-P energy: -105.755 tors. eta vs tors. theta energy: -150.144 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: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1371.953714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.953714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.953714 (E_RNA) where: Base-Base interactions energy: -839.005 where: short stacking energy: -402.365 Base-Backbone interact. energy: -0.239 local terms energy: -532.709446 where: bonds (distance) C4'-P energy: -132.743 bonds (distance) P-C4' energy: -135.314 flat angles C4'-P-C4' energy: -145.721 flat angles P-C4'-P energy: -67.291 tors. eta vs tors. theta energy: -51.641 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: 9 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1169.275920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.275920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.275920 (E_RNA) where: Base-Base interactions energy: -707.419 where: short stacking energy: -349.310 Base-Backbone interact. energy: 3.791 local terms energy: -465.647747 where: bonds (distance) C4'-P energy: -116.981 bonds (distance) P-C4' energy: -155.699 flat angles C4'-P-C4' energy: -114.753 flat angles P-C4'-P energy: -47.784 tors. eta vs tors. theta energy: -30.430 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: 3 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3106.090284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.090284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.090284 (E_RNA) where: Base-Base interactions energy: -2189.619 where: short stacking energy: -930.137 Base-Backbone interact. energy: -6.062 local terms energy: -910.408874 where: bonds (distance) C4'-P energy: -152.081 bonds (distance) P-C4' energy: -168.834 flat angles C4'-P-C4' energy: -191.406 flat angles P-C4'-P energy: -126.393 tors. eta vs tors. theta energy: -271.695 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: 5 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -3019.391502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.391502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.391502 (E_RNA) where: Base-Base interactions energy: -2113.190 where: short stacking energy: -929.417 Base-Backbone interact. energy: -1.851 local terms energy: -904.350349 where: bonds (distance) C4'-P energy: -152.180 bonds (distance) P-C4' energy: -166.573 flat angles C4'-P-C4' energy: -190.991 flat angles P-C4'-P energy: -133.593 tors. eta vs tors. theta energy: -261.014 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: 4 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2886.559579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.559579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.559579 (E_RNA) where: Base-Base interactions energy: -1986.090 where: short stacking energy: -862.145 Base-Backbone interact. energy: -1.773 local terms energy: -898.696554 where: bonds (distance) C4'-P energy: -153.299 bonds (distance) P-C4' energy: -171.094 flat angles C4'-P-C4' energy: -185.175 flat angles P-C4'-P energy: -121.357 tors. eta vs tors. theta energy: -267.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2792.086671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.086671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.086671 (E_RNA) where: Base-Base interactions energy: -1956.185 where: short stacking energy: -852.852 Base-Backbone interact. energy: -4.585 local terms energy: -831.316284 where: bonds (distance) C4'-P energy: -130.331 bonds (distance) P-C4' energy: -144.693 flat angles C4'-P-C4' energy: -191.793 flat angles P-C4'-P energy: -118.140 tors. eta vs tors. theta energy: -246.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2619.216188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.216188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.216188 (E_RNA) where: Base-Base interactions energy: -1775.865 where: short stacking energy: -793.766 Base-Backbone interact. energy: -6.226 local terms energy: -837.124841 where: bonds (distance) C4'-P energy: -142.360 bonds (distance) P-C4' energy: -156.391 flat angles C4'-P-C4' energy: -189.441 flat angles P-C4'-P energy: -114.365 tors. eta vs tors. theta energy: -234.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2519.595140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.595140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.595140 (E_RNA) where: Base-Base interactions energy: -1741.409 where: short stacking energy: -747.522 Base-Backbone interact. energy: -1.051 local terms energy: -777.134887 where: bonds (distance) C4'-P energy: -129.719 bonds (distance) P-C4' energy: -146.192 flat angles C4'-P-C4' energy: -170.673 flat angles P-C4'-P energy: -114.987 tors. eta vs tors. theta energy: -215.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2337.015778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.015778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.015778 (E_RNA) where: Base-Base interactions energy: -1606.847 where: short stacking energy: -683.785 Base-Backbone interact. energy: -2.002 local terms energy: -728.166845 where: bonds (distance) C4'-P energy: -126.915 bonds (distance) P-C4' energy: -151.930 flat angles C4'-P-C4' energy: -175.712 flat angles P-C4'-P energy: -103.132 tors. eta vs tors. theta energy: -170.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -2040.118855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.118855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.118855 (E_RNA) where: Base-Base interactions energy: -1352.492 where: short stacking energy: -612.698 Base-Backbone interact. energy: -1.774 local terms energy: -685.852671 where: bonds (distance) C4'-P energy: -135.536 bonds (distance) P-C4' energy: -140.825 flat angles C4'-P-C4' energy: -164.077 flat angles P-C4'-P energy: -87.251 tors. eta vs tors. theta energy: -158.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1463.066655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.066655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.066655 (E_RNA) where: Base-Base interactions energy: -899.480 where: short stacking energy: -429.672 Base-Backbone interact. energy: 1.820 local terms energy: -565.406054 where: bonds (distance) C4'-P energy: -125.858 bonds (distance) P-C4' energy: -140.001 flat angles C4'-P-C4' energy: -149.785 flat angles P-C4'-P energy: -77.609 tors. eta vs tors. theta energy: -72.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1209.158811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.158811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.158811 (E_RNA) where: Base-Base interactions energy: -713.752 where: short stacking energy: -364.256 Base-Backbone interact. energy: -2.104 local terms energy: -493.302606 where: bonds (distance) C4'-P energy: -124.172 bonds (distance) P-C4' energy: -130.517 flat angles C4'-P-C4' energy: -125.651 flat angles P-C4'-P energy: -78.688 tors. eta vs tors. theta energy: -34.275 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: 3 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3108.599763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.599763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.599763 (E_RNA) where: Base-Base interactions energy: -2207.629 where: short stacking energy: -950.874 Base-Backbone interact. energy: 0.629 local terms energy: -901.599984 where: bonds (distance) C4'-P energy: -152.013 bonds (distance) P-C4' energy: -150.121 flat angles C4'-P-C4' energy: -197.937 flat angles P-C4'-P energy: -124.428 tors. eta vs tors. theta energy: -277.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2989.705212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.705212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.705212 (E_RNA) where: Base-Base interactions energy: -2078.132 where: short stacking energy: -921.768 Base-Backbone interact. energy: -1.190 local terms energy: -910.383815 where: bonds (distance) C4'-P energy: -157.262 bonds (distance) P-C4' energy: -152.493 flat angles C4'-P-C4' energy: -197.214 flat angles P-C4'-P energy: -133.724 tors. eta vs tors. theta energy: -269.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2896.527493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.527493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.527493 (E_RNA) where: Base-Base interactions energy: -2034.698 where: short stacking energy: -855.571 Base-Backbone interact. energy: -3.338 local terms energy: -858.492071 where: bonds (distance) C4'-P energy: -137.030 bonds (distance) P-C4' energy: -164.161 flat angles C4'-P-C4' energy: -188.441 flat angles P-C4'-P energy: -111.779 tors. eta vs tors. theta energy: -257.081 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: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2789.199037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.199037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.199037 (E_RNA) where: Base-Base interactions energy: -1925.132 where: short stacking energy: -813.331 Base-Backbone interact. energy: -1.937 local terms energy: -862.130368 where: bonds (distance) C4'-P energy: -147.684 bonds (distance) P-C4' energy: -158.919 flat angles C4'-P-C4' energy: -183.843 flat angles P-C4'-P energy: -127.120 tors. eta vs tors. theta energy: -244.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2692.530315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.530315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.530315 (E_RNA) where: Base-Base interactions energy: -1887.298 where: short stacking energy: -840.719 Base-Backbone interact. energy: 0.277 local terms energy: -805.509203 where: bonds (distance) C4'-P energy: -133.797 bonds (distance) P-C4' energy: -150.499 flat angles C4'-P-C4' energy: -163.073 flat angles P-C4'-P energy: -107.562 tors. eta vs tors. theta energy: -250.577 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: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2527.673814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.673814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.673814 (E_RNA) where: Base-Base interactions energy: -1762.717 where: short stacking energy: -769.253 Base-Backbone interact. energy: 3.180 local terms energy: -768.136460 where: bonds (distance) C4'-P energy: -127.448 bonds (distance) P-C4' energy: -152.090 flat angles C4'-P-C4' energy: -167.815 flat angles P-C4'-P energy: -111.023 tors. eta vs tors. theta energy: -209.760 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: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -2341.627456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.627456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.627456 (E_RNA) where: Base-Base interactions energy: -1625.641 where: short stacking energy: -711.413 Base-Backbone interact. energy: -0.732 local terms energy: -715.254201 where: bonds (distance) C4'-P energy: -128.710 bonds (distance) P-C4' energy: -151.935 flat angles C4'-P-C4' energy: -152.723 flat angles P-C4'-P energy: -94.396 tors. eta vs tors. theta energy: -187.489 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: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -2068.850731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.850731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.850731 (E_RNA) where: Base-Base interactions energy: -1417.315 where: short stacking energy: -602.899 Base-Backbone interact. energy: -4.243 local terms energy: -647.293136 where: bonds (distance) C4'-P energy: -134.617 bonds (distance) P-C4' energy: -132.726 flat angles C4'-P-C4' energy: -156.878 flat angles P-C4'-P energy: -69.833 tors. eta vs tors. theta energy: -153.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1484.155865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.155865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.155865 (E_RNA) where: Base-Base interactions energy: -932.178 where: short stacking energy: -429.820 Base-Backbone interact. energy: -4.845 local terms energy: -547.132924 where: bonds (distance) C4'-P energy: -124.643 bonds (distance) P-C4' energy: -137.644 flat angles C4'-P-C4' energy: -136.356 flat angles P-C4'-P energy: -78.426 tors. eta vs tors. theta energy: -70.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1252.323024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.323024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.323024 (E_RNA) where: Base-Base interactions energy: -745.194 where: short stacking energy: -345.780 Base-Backbone interact. energy: -3.874 local terms energy: -503.254656 where: bonds (distance) C4'-P energy: -125.420 bonds (distance) P-C4' energy: -141.179 flat angles C4'-P-C4' energy: -129.231 flat angles P-C4'-P energy: -78.424 tors. eta vs tors. theta energy: -29.000 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: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3128.486169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.486169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.486169 (E_RNA) where: Base-Base interactions energy: -2198.136 where: short stacking energy: -950.857 Base-Backbone interact. energy: -4.225 local terms energy: -926.124822 where: bonds (distance) C4'-P energy: -158.557 bonds (distance) P-C4' energy: -152.343 flat angles C4'-P-C4' energy: -196.866 flat angles P-C4'-P energy: -138.079 tors. eta vs tors. theta energy: -280.281 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: 5 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -3022.955076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.955076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.955076 (E_RNA) where: Base-Base interactions energy: -2102.076 where: short stacking energy: -931.282 Base-Backbone interact. energy: -0.647 local terms energy: -920.231686 where: bonds (distance) C4'-P energy: -164.662 bonds (distance) P-C4' energy: -170.175 flat angles C4'-P-C4' energy: -199.426 flat angles P-C4'-P energy: -126.048 tors. eta vs tors. theta energy: -259.920 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: 4 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2896.063562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.063562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.063562 (E_RNA) where: Base-Base interactions energy: -1994.473 where: short stacking energy: -862.342 Base-Backbone interact. energy: -3.681 local terms energy: -897.909761 where: bonds (distance) C4'-P energy: -163.571 bonds (distance) P-C4' energy: -155.906 flat angles C4'-P-C4' energy: -186.997 flat angles P-C4'-P energy: -139.273 tors. eta vs tors. theta energy: -252.163 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: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2795.531119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.531119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.531119 (E_RNA) where: Base-Base interactions energy: -1952.323 where: short stacking energy: -867.012 Base-Backbone interact. energy: -2.969 local terms energy: -840.238898 where: bonds (distance) C4'-P energy: -143.675 bonds (distance) P-C4' energy: -171.881 flat angles C4'-P-C4' energy: -172.611 flat angles P-C4'-P energy: -101.299 tors. eta vs tors. theta energy: -250.772 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: 272 Temperature: 1.100000 Total energy: -2666.226677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.226677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.226677 (E_RNA) where: Base-Base interactions energy: -1832.435 where: short stacking energy: -793.666 Base-Backbone interact. energy: -4.515 local terms energy: -829.276764 where: bonds (distance) C4'-P energy: -147.331 bonds (distance) P-C4' energy: -152.360 flat angles C4'-P-C4' energy: -169.284 flat angles P-C4'-P energy: -119.772 tors. eta vs tors. theta energy: -240.529 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: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2558.569851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.569851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.569851 (E_RNA) where: Base-Base interactions energy: -1776.371 where: short stacking energy: -782.450 Base-Backbone interact. energy: -2.018 local terms energy: -780.181193 where: bonds (distance) C4'-P energy: -134.551 bonds (distance) P-C4' energy: -141.962 flat angles C4'-P-C4' energy: -176.526 flat angles P-C4'-P energy: -115.113 tors. eta vs tors. theta energy: -212.029 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: 7 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2312.650536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.650536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.650536 (E_RNA) where: Base-Base interactions energy: -1581.277 where: short stacking energy: -671.917 Base-Backbone interact. energy: -4.889 local terms energy: -726.484134 where: bonds (distance) C4'-P energy: -140.288 bonds (distance) P-C4' energy: -143.483 flat angles C4'-P-C4' energy: -162.900 flat angles P-C4'-P energy: -92.342 tors. eta vs tors. theta energy: -187.471 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: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -2034.933758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.933758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.933758 (E_RNA) where: Base-Base interactions energy: -1359.674 where: short stacking energy: -623.610 Base-Backbone interact. energy: -1.302 local terms energy: -673.957463 where: bonds (distance) C4'-P energy: -140.502 bonds (distance) P-C4' energy: -151.885 flat angles C4'-P-C4' energy: -154.915 flat angles P-C4'-P energy: -74.245 tors. eta vs tors. theta energy: -152.411 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: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1493.009159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.009159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.009159 (E_RNA) where: Base-Base interactions energy: -936.514 where: short stacking energy: -432.040 Base-Backbone interact. energy: 8.608 local terms energy: -565.102745 where: bonds (distance) C4'-P energy: -131.292 bonds (distance) P-C4' energy: -143.352 flat angles C4'-P-C4' energy: -147.896 flat angles P-C4'-P energy: -74.925 tors. eta vs tors. theta energy: -67.638 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: 272 Temperature: 1.350000 Total energy: -1263.867695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.867695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.867695 (E_RNA) where: Base-Base interactions energy: -766.739 where: short stacking energy: -363.132 Base-Backbone interact. energy: -2.933 local terms energy: -494.196411 where: bonds (distance) C4'-P energy: -125.713 bonds (distance) P-C4' energy: -140.062 flat angles C4'-P-C4' energy: -127.664 flat angles P-C4'-P energy: -76.888 tors. eta vs tors. theta energy: -23.869 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: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3124.089023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.089023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.089023 (E_RNA) where: Base-Base interactions energy: -2207.141 where: short stacking energy: -943.596 Base-Backbone interact. energy: 4.274 local terms energy: -921.222238 where: bonds (distance) C4'-P energy: -160.062 bonds (distance) P-C4' energy: -161.796 flat angles C4'-P-C4' energy: -196.771 flat angles P-C4'-P energy: -124.402 tors. eta vs tors. theta energy: -278.192 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: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -3008.171445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.171445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.171445 (E_RNA) where: Base-Base interactions energy: -2090.350 where: short stacking energy: -913.536 Base-Backbone interact. energy: -0.201 local terms energy: -917.620308 where: bonds (distance) C4'-P energy: -148.906 bonds (distance) P-C4' energy: -179.495 flat angles C4'-P-C4' energy: -186.491 flat angles P-C4'-P energy: -130.325 tors. eta vs tors. theta energy: -272.404 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: 3, replica: 4 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2871.818063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.818063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.818063 (E_RNA) where: Base-Base interactions energy: -1993.915 where: short stacking energy: -873.725 Base-Backbone interact. energy: 0.269 local terms energy: -878.171439 where: bonds (distance) C4'-P energy: -146.060 bonds (distance) P-C4' energy: -167.850 flat angles C4'-P-C4' energy: -195.697 flat angles P-C4'-P energy: -118.749 tors. eta vs tors. theta energy: -249.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2782.684057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.684057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.684057 (E_RNA) where: Base-Base interactions energy: -1947.888 where: short stacking energy: -874.940 Base-Backbone interact. energy: -4.072 local terms energy: -830.723697 where: bonds (distance) C4'-P energy: -145.543 bonds (distance) P-C4' energy: -140.111 flat angles C4'-P-C4' energy: -178.899 flat angles P-C4'-P energy: -109.596 tors. eta vs tors. theta energy: -256.574 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: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2653.844100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.844100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.844100 (E_RNA) where: Base-Base interactions energy: -1819.075 where: short stacking energy: -817.703 Base-Backbone interact. energy: -1.898 local terms energy: -832.870934 where: bonds (distance) C4'-P energy: -145.914 bonds (distance) P-C4' energy: -154.048 flat angles C4'-P-C4' energy: -174.486 flat angles P-C4'-P energy: -109.345 tors. eta vs tors. theta energy: -249.077 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: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2502.671781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.671781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.671781 (E_RNA) where: Base-Base interactions energy: -1758.062 where: short stacking energy: -767.949 Base-Backbone interact. energy: -4.972 local terms energy: -739.637946 where: bonds (distance) C4'-P energy: -139.714 bonds (distance) P-C4' energy: -129.759 flat angles C4'-P-C4' energy: -163.758 flat angles P-C4'-P energy: -103.620 tors. eta vs tors. theta energy: -202.786 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: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2352.400829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.400829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.400829 (E_RNA) where: Base-Base interactions energy: -1621.792 where: short stacking energy: -711.518 Base-Backbone interact. energy: -0.489 local terms energy: -730.120713 where: bonds (distance) C4'-P energy: -137.424 bonds (distance) P-C4' energy: -129.539 flat angles C4'-P-C4' energy: -166.203 flat angles P-C4'-P energy: -96.046 tors. eta vs tors. theta energy: -200.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -2000.364822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.364822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.364822 (E_RNA) where: Base-Base interactions energy: -1345.794 where: short stacking energy: -601.474 Base-Backbone interact. energy: -0.873 local terms energy: -653.697776 where: bonds (distance) C4'-P energy: -134.519 bonds (distance) P-C4' energy: -137.454 flat angles C4'-P-C4' energy: -138.765 flat angles P-C4'-P energy: -80.190 tors. eta vs tors. theta energy: -162.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1517.462037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.462037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.462037 (E_RNA) where: Base-Base interactions energy: -958.861 where: short stacking energy: -457.294 Base-Backbone interact. energy: -0.938 local terms energy: -557.662438 where: bonds (distance) C4'-P energy: -111.053 bonds (distance) P-C4' energy: -137.018 flat angles C4'-P-C4' energy: -136.597 flat angles P-C4'-P energy: -92.228 tors. eta vs tors. theta energy: -80.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1226.306621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.306621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.306621 (E_RNA) where: Base-Base interactions energy: -753.853 where: short stacking energy: -353.152 Base-Backbone interact. energy: 6.396 local terms energy: -478.849967 where: bonds (distance) C4'-P energy: -136.820 bonds (distance) P-C4' energy: -134.163 flat angles C4'-P-C4' energy: -106.764 flat angles P-C4'-P energy: -86.175 tors. eta vs tors. theta energy: -14.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3115.555074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.555074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.555074 (E_RNA) where: Base-Base interactions energy: -2195.711 where: short stacking energy: -932.878 Base-Backbone interact. energy: 2.536 local terms energy: -922.380236 where: bonds (distance) C4'-P energy: -177.581 bonds (distance) P-C4' energy: -163.124 flat angles C4'-P-C4' energy: -194.419 flat angles P-C4'-P energy: -115.093 tors. eta vs tors. theta energy: -272.163 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: 2, replica: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -3010.875057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.875057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.875057 (E_RNA) where: Base-Base interactions energy: -2083.681 where: short stacking energy: -893.624 Base-Backbone interact. energy: -4.205 local terms energy: -922.988848 where: bonds (distance) C4'-P energy: -166.068 bonds (distance) P-C4' energy: -171.946 flat angles C4'-P-C4' energy: -202.392 flat angles P-C4'-P energy: -120.765 tors. eta vs tors. theta energy: -261.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2902.898710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.898710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.898710 (E_RNA) where: Base-Base interactions energy: -2022.077 where: short stacking energy: -863.818 Base-Backbone interact. energy: -3.648 local terms energy: -877.173647 where: bonds (distance) C4'-P energy: -155.624 bonds (distance) P-C4' energy: -156.330 flat angles C4'-P-C4' energy: -193.076 flat angles P-C4'-P energy: -120.450 tors. eta vs tors. theta energy: -251.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2785.516922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.516922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.516922 (E_RNA) where: Base-Base interactions energy: -1936.392 where: short stacking energy: -868.914 Base-Backbone interact. energy: 0.851 local terms energy: -849.975862 where: bonds (distance) C4'-P energy: -148.295 bonds (distance) P-C4' energy: -148.268 flat angles C4'-P-C4' energy: -183.103 flat angles P-C4'-P energy: -118.323 tors. eta vs tors. theta energy: -251.987 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: 2 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2662.809011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.809011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.809011 (E_RNA) where: Base-Base interactions energy: -1815.067 where: short stacking energy: -805.816 Base-Backbone interact. energy: -4.408 local terms energy: -843.333320 where: bonds (distance) C4'-P energy: -151.396 bonds (distance) P-C4' energy: -150.556 flat angles C4'-P-C4' energy: -187.833 flat angles P-C4'-P energy: -103.291 tors. eta vs tors. theta energy: -250.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2577.063117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.063117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.063117 (E_RNA) where: Base-Base interactions energy: -1787.867 where: short stacking energy: -780.857 Base-Backbone interact. energy: -1.380 local terms energy: -787.816384 where: bonds (distance) C4'-P energy: -116.896 bonds (distance) P-C4' energy: -161.290 flat angles C4'-P-C4' energy: -162.779 flat angles P-C4'-P energy: -115.045 tors. eta vs tors. theta energy: -231.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2421.515171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.515171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.515171 (E_RNA) where: Base-Base interactions energy: -1694.743 where: short stacking energy: -738.640 Base-Backbone interact. energy: 3.879 local terms energy: -730.651243 where: bonds (distance) C4'-P energy: -145.105 bonds (distance) P-C4' energy: -134.538 flat angles C4'-P-C4' energy: -151.921 flat angles P-C4'-P energy: -99.578 tors. eta vs tors. theta energy: -199.510 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: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -2035.676751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.676751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.676751 (E_RNA) where: Base-Base interactions energy: -1352.046 where: short stacking energy: -599.076 Base-Backbone interact. energy: 0.745 local terms energy: -684.375947 where: bonds (distance) C4'-P energy: -134.747 bonds (distance) P-C4' energy: -133.707 flat angles C4'-P-C4' energy: -155.176 flat angles P-C4'-P energy: -105.327 tors. eta vs tors. theta energy: -155.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1540.960191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.960191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.960191 (E_RNA) where: Base-Base interactions energy: -977.252 where: short stacking energy: -488.063 Base-Backbone interact. energy: -3.986 local terms energy: -559.721960 where: bonds (distance) C4'-P energy: -127.474 bonds (distance) P-C4' energy: -146.040 flat angles C4'-P-C4' energy: -122.138 flat angles P-C4'-P energy: -79.916 tors. eta vs tors. theta energy: -84.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1246.387890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.387890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.387890 (E_RNA) where: Base-Base interactions energy: -762.993 where: short stacking energy: -348.907 Base-Backbone interact. energy: -0.336 local terms energy: -483.059046 where: bonds (distance) C4'-P energy: -130.711 bonds (distance) P-C4' energy: -123.677 flat angles C4'-P-C4' energy: -115.826 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -31.826 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: 3 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3092.987029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.987029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.987029 (E_RNA) where: Base-Base interactions energy: -2183.312 where: short stacking energy: -901.211 Base-Backbone interact. energy: -2.596 local terms energy: -907.078922 where: bonds (distance) C4'-P energy: -167.979 bonds (distance) P-C4' energy: -161.741 flat angles C4'-P-C4' energy: -180.871 flat angles P-C4'-P energy: -126.174 tors. eta vs tors. theta energy: -270.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2997.184514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.184514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.184514 (E_RNA) where: Base-Base interactions energy: -2091.000 where: short stacking energy: -905.749 Base-Backbone interact. energy: -2.265 local terms energy: -903.919659 where: bonds (distance) C4'-P energy: -162.883 bonds (distance) P-C4' energy: -156.809 flat angles C4'-P-C4' energy: -186.449 flat angles P-C4'-P energy: -134.422 tors. eta vs tors. theta energy: -263.357 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: 4 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2884.162740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.162740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.162740 (E_RNA) where: Base-Base interactions energy: -1994.044 where: short stacking energy: -868.110 Base-Backbone interact. energy: -4.982 local terms energy: -885.136698 where: bonds (distance) C4'-P energy: -160.102 bonds (distance) P-C4' energy: -158.290 flat angles C4'-P-C4' energy: -192.629 flat angles P-C4'-P energy: -131.793 tors. eta vs tors. theta energy: -242.323 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: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2795.420465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.420465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.420465 (E_RNA) where: Base-Base interactions energy: -1939.548 where: short stacking energy: -884.416 Base-Backbone interact. energy: -4.731 local terms energy: -851.140977 where: bonds (distance) C4'-P energy: -146.314 bonds (distance) P-C4' energy: -152.741 flat angles C4'-P-C4' energy: -174.905 flat angles P-C4'-P energy: -126.808 tors. eta vs tors. theta energy: -250.373 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: 275 Temperature: 1.100000 Total energy: -2662.420249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.420249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.420249 (E_RNA) where: Base-Base interactions energy: -1847.065 where: short stacking energy: -808.469 Base-Backbone interact. energy: -4.426 local terms energy: -810.929144 where: bonds (distance) C4'-P energy: -134.503 bonds (distance) P-C4' energy: -156.769 flat angles C4'-P-C4' energy: -181.184 flat angles P-C4'-P energy: -110.759 tors. eta vs tors. theta energy: -227.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2571.246358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.246358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.246358 (E_RNA) where: Base-Base interactions energy: -1782.974 where: short stacking energy: -791.800 Base-Backbone interact. energy: -4.545 local terms energy: -783.727125 where: bonds (distance) C4'-P energy: -133.360 bonds (distance) P-C4' energy: -146.498 flat angles C4'-P-C4' energy: -168.488 flat angles P-C4'-P energy: -112.210 tors. eta vs tors. theta energy: -223.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2334.387209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.387209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.387209 (E_RNA) where: Base-Base interactions energy: -1608.747 where: short stacking energy: -713.746 Base-Backbone interact. energy: -2.077 local terms energy: -723.563318 where: bonds (distance) C4'-P energy: -135.934 bonds (distance) P-C4' energy: -156.434 flat angles C4'-P-C4' energy: -153.793 flat angles P-C4'-P energy: -105.914 tors. eta vs tors. theta energy: -171.489 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: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -2057.521476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.521476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.521476 (E_RNA) where: Base-Base interactions energy: -1388.933 where: short stacking energy: -669.283 Base-Backbone interact. energy: 5.132 local terms energy: -673.720677 where: bonds (distance) C4'-P energy: -134.604 bonds (distance) P-C4' energy: -125.766 flat angles C4'-P-C4' energy: -148.676 flat angles P-C4'-P energy: -95.643 tors. eta vs tors. theta energy: -169.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1553.116250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.116250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.116250 (E_RNA) where: Base-Base interactions energy: -989.873 where: short stacking energy: -455.291 Base-Backbone interact. energy: -2.915 local terms energy: -560.328983 where: bonds (distance) C4'-P energy: -137.521 bonds (distance) P-C4' energy: -145.229 flat angles C4'-P-C4' energy: -120.808 flat angles P-C4'-P energy: -58.463 tors. eta vs tors. theta energy: -98.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1224.058092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.058092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.058092 (E_RNA) where: Base-Base interactions energy: -740.450 where: short stacking energy: -354.906 Base-Backbone interact. energy: -2.376 local terms energy: -481.232776 where: bonds (distance) C4'-P energy: -111.645 bonds (distance) P-C4' energy: -130.825 flat angles C4'-P-C4' energy: -139.412 flat angles P-C4'-P energy: -76.659 tors. eta vs tors. theta energy: -22.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3132.959300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.959300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.959300 (E_RNA) where: Base-Base interactions energy: -2207.146 where: short stacking energy: -938.540 Base-Backbone interact. energy: -5.507 local terms energy: -920.306520 where: bonds (distance) C4'-P energy: -156.814 bonds (distance) P-C4' energy: -160.787 flat angles C4'-P-C4' energy: -192.554 flat angles P-C4'-P energy: -130.104 tors. eta vs tors. theta energy: -280.047 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: 5 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -3022.543821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.543821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.543821 (E_RNA) where: Base-Base interactions energy: -2115.422 where: short stacking energy: -914.379 Base-Backbone interact. energy: -3.791 local terms energy: -903.330485 where: bonds (distance) C4'-P energy: -157.858 bonds (distance) P-C4' energy: -157.483 flat angles C4'-P-C4' energy: -200.185 flat angles P-C4'-P energy: -129.289 tors. eta vs tors. theta energy: -258.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2892.565677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.565677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.565677 (E_RNA) where: Base-Base interactions energy: -2031.881 where: short stacking energy: -888.498 Base-Backbone interact. energy: -1.582 local terms energy: -859.103434 where: bonds (distance) C4'-P energy: -149.310 bonds (distance) P-C4' energy: -148.818 flat angles C4'-P-C4' energy: -176.175 flat angles P-C4'-P energy: -133.508 tors. eta vs tors. theta energy: -251.292 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: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2751.248910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.248910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.248910 (E_RNA) where: Base-Base interactions energy: -1900.995 where: short stacking energy: -829.344 Base-Backbone interact. energy: 6.153 local terms energy: -856.406677 where: bonds (distance) C4'-P energy: -164.991 bonds (distance) P-C4' energy: -155.685 flat angles C4'-P-C4' energy: -181.996 flat angles P-C4'-P energy: -127.748 tors. eta vs tors. theta energy: -225.987 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: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2687.793231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.793231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.793231 (E_RNA) where: Base-Base interactions energy: -1858.544 where: short stacking energy: -788.004 Base-Backbone interact. energy: -2.492 local terms energy: -826.756948 where: bonds (distance) C4'-P energy: -151.215 bonds (distance) P-C4' energy: -139.057 flat angles C4'-P-C4' energy: -169.303 flat angles P-C4'-P energy: -128.908 tors. eta vs tors. theta energy: -238.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2573.162756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.162756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.162756 (E_RNA) where: Base-Base interactions energy: -1771.845 where: short stacking energy: -781.284 Base-Backbone interact. energy: -1.600 local terms energy: -799.717357 where: bonds (distance) C4'-P energy: -141.154 bonds (distance) P-C4' energy: -148.558 flat angles C4'-P-C4' energy: -171.101 flat angles P-C4'-P energy: -124.252 tors. eta vs tors. theta energy: -214.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2423.527806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.527806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.527806 (E_RNA) where: Base-Base interactions energy: -1671.153 where: short stacking energy: -709.527 Base-Backbone interact. energy: -3.342 local terms energy: -749.032722 where: bonds (distance) C4'-P energy: -126.329 bonds (distance) P-C4' energy: -142.888 flat angles C4'-P-C4' energy: -169.415 flat angles P-C4'-P energy: -113.151 tors. eta vs tors. theta energy: -197.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -2066.625621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.625621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.625621 (E_RNA) where: Base-Base interactions energy: -1380.474 where: short stacking energy: -647.451 Base-Backbone interact. energy: -1.848 local terms energy: -684.303452 where: bonds (distance) C4'-P energy: -125.048 bonds (distance) P-C4' energy: -141.208 flat angles C4'-P-C4' energy: -167.412 flat angles P-C4'-P energy: -81.952 tors. eta vs tors. theta energy: -168.683 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: 10 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1519.386275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.386275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.386275 (E_RNA) where: Base-Base interactions energy: -992.270 where: short stacking energy: -428.595 Base-Backbone interact. energy: -0.766 local terms energy: -526.349575 where: bonds (distance) C4'-P energy: -119.145 bonds (distance) P-C4' energy: -128.047 flat angles C4'-P-C4' energy: -137.384 flat angles P-C4'-P energy: -79.383 tors. eta vs tors. theta energy: -62.391 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: 9 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1195.183859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.183859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.183859 (E_RNA) where: Base-Base interactions energy: -686.979 where: short stacking energy: -300.717 Base-Backbone interact. energy: 0.875 local terms energy: -509.079469 where: bonds (distance) C4'-P energy: -139.301 bonds (distance) P-C4' energy: -159.391 flat angles C4'-P-C4' energy: -139.114 flat angles P-C4'-P energy: -72.372 tors. eta vs tors. theta energy: 1.100 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: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3141.307393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.307393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.307393 (E_RNA) where: Base-Base interactions energy: -2213.843 where: short stacking energy: -910.415 Base-Backbone interact. energy: -4.638 local terms energy: -922.826849 where: bonds (distance) C4'-P energy: -162.141 bonds (distance) P-C4' energy: -159.770 flat angles C4'-P-C4' energy: -191.311 flat angles P-C4'-P energy: -134.911 tors. eta vs tors. theta energy: -274.694 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: 2, replica: 5 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -3014.192628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.192628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.192628 (E_RNA) where: Base-Base interactions energy: -2117.016 where: short stacking energy: -919.380 Base-Backbone interact. energy: -3.009 local terms energy: -894.167672 where: bonds (distance) C4'-P energy: -148.359 bonds (distance) P-C4' energy: -161.810 flat angles C4'-P-C4' energy: -197.770 flat angles P-C4'-P energy: -121.180 tors. eta vs tors. theta energy: -265.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2880.797921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.797921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.797921 (E_RNA) where: Base-Base interactions energy: -2039.580 where: short stacking energy: -874.328 Base-Backbone interact. energy: -0.877 local terms energy: -840.340801 where: bonds (distance) C4'-P energy: -141.194 bonds (distance) P-C4' energy: -164.098 flat angles C4'-P-C4' energy: -186.017 flat angles P-C4'-P energy: -104.240 tors. eta vs tors. theta energy: -244.792 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: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2774.814913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.814913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.814913 (E_RNA) where: Base-Base interactions energy: -1941.605 where: short stacking energy: -858.812 Base-Backbone interact. energy: -3.635 local terms energy: -829.574244 where: bonds (distance) C4'-P energy: -151.154 bonds (distance) P-C4' energy: -155.425 flat angles C4'-P-C4' energy: -170.014 flat angles P-C4'-P energy: -107.938 tors. eta vs tors. theta energy: -245.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2774.614644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.614644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.614644 (E_RNA) where: Base-Base interactions energy: -1930.816 where: short stacking energy: -860.996 Base-Backbone interact. energy: 0.572 local terms energy: -844.371013 where: bonds (distance) C4'-P energy: -147.888 bonds (distance) P-C4' energy: -142.951 flat angles C4'-P-C4' energy: -182.984 flat angles P-C4'-P energy: -118.758 tors. eta vs tors. theta energy: -251.790 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: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2562.815145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.815145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.815145 (E_RNA) where: Base-Base interactions energy: -1786.855 where: short stacking energy: -760.525 Base-Backbone interact. energy: 2.979 local terms energy: -778.939313 where: bonds (distance) C4'-P energy: -135.564 bonds (distance) P-C4' energy: -130.547 flat angles C4'-P-C4' energy: -174.792 flat angles P-C4'-P energy: -118.323 tors. eta vs tors. theta energy: -219.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2425.511920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.511920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.511920 (E_RNA) where: Base-Base interactions energy: -1685.274 where: short stacking energy: -717.359 Base-Backbone interact. energy: -3.057 local terms energy: -737.181109 where: bonds (distance) C4'-P energy: -132.948 bonds (distance) P-C4' energy: -151.696 flat angles C4'-P-C4' energy: -172.243 flat angles P-C4'-P energy: -89.765 tors. eta vs tors. theta energy: -190.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -2073.768230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.768230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.768230 (E_RNA) where: Base-Base interactions energy: -1372.656 where: short stacking energy: -625.109 Base-Backbone interact. energy: -3.035 local terms energy: -698.077671 where: bonds (distance) C4'-P energy: -133.035 bonds (distance) P-C4' energy: -145.772 flat angles C4'-P-C4' energy: -137.353 flat angles P-C4'-P energy: -107.534 tors. eta vs tors. theta energy: -174.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1498.311954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.311954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.311954 (E_RNA) where: Base-Base interactions energy: -963.953 where: short stacking energy: -446.630 Base-Backbone interact. energy: -2.831 local terms energy: -531.527843 where: bonds (distance) C4'-P energy: -111.253 bonds (distance) P-C4' energy: -146.906 flat angles C4'-P-C4' energy: -132.784 flat angles P-C4'-P energy: -75.157 tors. eta vs tors. theta energy: -65.428 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: 9 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1298.642212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.642212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.642212 (E_RNA) where: Base-Base interactions energy: -769.907 where: short stacking energy: -358.076 Base-Backbone interact. energy: 5.443 local terms energy: -534.178811 where: bonds (distance) C4'-P energy: -145.646 bonds (distance) P-C4' energy: -143.299 flat angles C4'-P-C4' energy: -135.007 flat angles P-C4'-P energy: -84.616 tors. eta vs tors. theta energy: -25.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3142.243779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.243779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.243779 (E_RNA) where: Base-Base interactions energy: -2203.870 where: short stacking energy: -946.999 Base-Backbone interact. energy: -3.347 local terms energy: -935.026937 where: bonds (distance) C4'-P energy: -166.869 bonds (distance) P-C4' energy: -156.671 flat angles C4'-P-C4' energy: -206.921 flat angles P-C4'-P energy: -126.893 tors. eta vs tors. theta energy: -277.673 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: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -3006.567511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.567511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.567511 (E_RNA) where: Base-Base interactions energy: -2086.380 where: short stacking energy: -918.862 Base-Backbone interact. energy: -3.360 local terms energy: -916.828044 where: bonds (distance) C4'-P energy: -163.304 bonds (distance) P-C4' energy: -158.091 flat angles C4'-P-C4' energy: -192.403 flat angles P-C4'-P energy: -137.711 tors. eta vs tors. theta energy: -265.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2894.515260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.515260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.515260 (E_RNA) where: Base-Base interactions energy: -2015.346 where: short stacking energy: -882.115 Base-Backbone interact. energy: -4.364 local terms energy: -874.805471 where: bonds (distance) C4'-P energy: -143.396 bonds (distance) P-C4' energy: -149.850 flat angles C4'-P-C4' energy: -191.043 flat angles P-C4'-P energy: -140.990 tors. eta vs tors. theta energy: -249.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2780.807241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.807241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.807241 (E_RNA) where: Base-Base interactions energy: -1933.722 where: short stacking energy: -854.787 Base-Backbone interact. energy: 2.465 local terms energy: -849.550647 where: bonds (distance) C4'-P energy: -164.955 bonds (distance) P-C4' energy: -147.956 flat angles C4'-P-C4' energy: -177.498 flat angles P-C4'-P energy: -109.200 tors. eta vs tors. theta energy: -249.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2711.369983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.369983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.369983 (E_RNA) where: Base-Base interactions energy: -1875.022 where: short stacking energy: -801.944 Base-Backbone interact. energy: -1.261 local terms energy: -835.086891 where: bonds (distance) C4'-P energy: -140.516 bonds (distance) P-C4' energy: -168.123 flat angles C4'-P-C4' energy: -166.240 flat angles P-C4'-P energy: -114.001 tors. eta vs tors. theta energy: -246.207 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: 278 Temperature: 1.150000 Total energy: -2586.291709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.291709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.291709 (E_RNA) where: Base-Base interactions energy: -1811.855 where: short stacking energy: -802.371 Base-Backbone interact. energy: 0.966 local terms energy: -775.402060 where: bonds (distance) C4'-P energy: -134.064 bonds (distance) P-C4' energy: -115.240 flat angles C4'-P-C4' energy: -179.158 flat angles P-C4'-P energy: -114.741 tors. eta vs tors. theta energy: -232.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2421.024232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.024232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.024232 (E_RNA) where: Base-Base interactions energy: -1715.112 where: short stacking energy: -737.012 Base-Backbone interact. energy: -1.160 local terms energy: -704.751563 where: bonds (distance) C4'-P energy: -124.921 bonds (distance) P-C4' energy: -126.599 flat angles C4'-P-C4' energy: -159.441 flat angles P-C4'-P energy: -93.424 tors. eta vs tors. theta energy: -200.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -2109.736170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.736170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.736170 (E_RNA) where: Base-Base interactions energy: -1408.333 where: short stacking energy: -655.125 Base-Backbone interact. energy: -2.578 local terms energy: -698.825167 where: bonds (distance) C4'-P energy: -127.431 bonds (distance) P-C4' energy: -139.190 flat angles C4'-P-C4' energy: -155.734 flat angles P-C4'-P energy: -90.208 tors. eta vs tors. theta energy: -186.263 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: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1495.454899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.454899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.454899 (E_RNA) where: Base-Base interactions energy: -952.034 where: short stacking energy: -439.191 Base-Backbone interact. energy: 3.639 local terms energy: -547.060834 where: bonds (distance) C4'-P energy: -113.535 bonds (distance) P-C4' energy: -143.988 flat angles C4'-P-C4' energy: -133.392 flat angles P-C4'-P energy: -76.862 tors. eta vs tors. theta energy: -79.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1164.374864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.374864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.374864 (E_RNA) where: Base-Base interactions energy: -700.116 where: short stacking energy: -370.406 Base-Backbone interact. energy: -0.253 local terms energy: -464.005406 where: bonds (distance) C4'-P energy: -91.912 bonds (distance) P-C4' energy: -120.233 flat angles C4'-P-C4' energy: -120.304 flat angles P-C4'-P energy: -78.370 tors. eta vs tors. theta energy: -53.187 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: 3 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3133.879841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.879841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.879841 (E_RNA) where: Base-Base interactions energy: -2192.860 where: short stacking energy: -947.920 Base-Backbone interact. energy: -3.837 local terms energy: -937.182558 where: bonds (distance) C4'-P energy: -158.413 bonds (distance) P-C4' energy: -172.748 flat angles C4'-P-C4' energy: -203.424 flat angles P-C4'-P energy: -121.986 tors. eta vs tors. theta energy: -280.612 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: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2952.400514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.400514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.400514 (E_RNA) where: Base-Base interactions energy: -2055.350 where: short stacking energy: -903.758 Base-Backbone interact. energy: 0.485 local terms energy: -897.535563 where: bonds (distance) C4'-P energy: -170.637 bonds (distance) P-C4' energy: -153.864 flat angles C4'-P-C4' energy: -181.738 flat angles P-C4'-P energy: -128.179 tors. eta vs tors. theta energy: -263.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2904.786153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.786153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.786153 (E_RNA) where: Base-Base interactions energy: -2041.306 where: short stacking energy: -862.295 Base-Backbone interact. energy: -3.628 local terms energy: -859.851443 where: bonds (distance) C4'-P energy: -136.882 bonds (distance) P-C4' energy: -163.930 flat angles C4'-P-C4' energy: -196.318 flat angles P-C4'-P energy: -128.673 tors. eta vs tors. theta energy: -234.048 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: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2776.914047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.914047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.914047 (E_RNA) where: Base-Base interactions energy: -1955.380 where: short stacking energy: -868.159 Base-Backbone interact. energy: -3.739 local terms energy: -817.794883 where: bonds (distance) C4'-P energy: -162.097 bonds (distance) P-C4' energy: -133.315 flat angles C4'-P-C4' energy: -168.957 flat angles P-C4'-P energy: -104.341 tors. eta vs tors. theta energy: -249.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2697.321457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.321457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.321457 (E_RNA) where: Base-Base interactions energy: -1867.362 where: short stacking energy: -846.301 Base-Backbone interact. energy: -0.413 local terms energy: -829.546678 where: bonds (distance) C4'-P energy: -149.359 bonds (distance) P-C4' energy: -149.053 flat angles C4'-P-C4' energy: -160.970 flat angles P-C4'-P energy: -121.302 tors. eta vs tors. theta energy: -248.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2532.705526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.705526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.705526 (E_RNA) where: Base-Base interactions energy: -1763.635 where: short stacking energy: -757.834 Base-Backbone interact. energy: -3.196 local terms energy: -765.873984 where: bonds (distance) C4'-P energy: -137.759 bonds (distance) P-C4' energy: -146.021 flat angles C4'-P-C4' energy: -168.247 flat angles P-C4'-P energy: -97.550 tors. eta vs tors. theta energy: -216.297 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: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2426.822055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.822055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.822055 (E_RNA) where: Base-Base interactions energy: -1682.349 where: short stacking energy: -700.283 Base-Backbone interact. energy: -1.454 local terms energy: -743.018606 where: bonds (distance) C4'-P energy: -136.089 bonds (distance) P-C4' energy: -161.866 flat angles C4'-P-C4' energy: -158.186 flat angles P-C4'-P energy: -93.995 tors. eta vs tors. theta energy: -192.882 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: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -2107.173618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.173618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.173618 (E_RNA) where: Base-Base interactions energy: -1459.231 where: short stacking energy: -649.792 Base-Backbone interact. energy: -1.417 local terms energy: -646.525711 where: bonds (distance) C4'-P energy: -99.085 bonds (distance) P-C4' energy: -124.251 flat angles C4'-P-C4' energy: -165.936 flat angles P-C4'-P energy: -91.039 tors. eta vs tors. theta energy: -166.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1599.988169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.988169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.988169 (E_RNA) where: Base-Base interactions energy: -1000.476 where: short stacking energy: -479.222 Base-Backbone interact. energy: -3.411 local terms energy: -596.101370 where: bonds (distance) C4'-P energy: -133.195 bonds (distance) P-C4' energy: -121.427 flat angles C4'-P-C4' energy: -140.979 flat angles P-C4'-P energy: -113.353 tors. eta vs tors. theta energy: -87.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1138.760053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.760053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.760053 (E_RNA) where: Base-Base interactions energy: -631.847 where: short stacking energy: -319.966 Base-Backbone interact. energy: -2.915 local terms energy: -503.997499 where: bonds (distance) C4'-P energy: -135.563 bonds (distance) P-C4' energy: -140.745 flat angles C4'-P-C4' energy: -130.726 flat angles P-C4'-P energy: -73.162 tors. eta vs tors. theta energy: -23.802 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: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3105.282079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.282079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.282079 (E_RNA) where: Base-Base interactions energy: -2171.560 where: short stacking energy: -935.328 Base-Backbone interact. energy: -5.141 local terms energy: -928.580814 where: bonds (distance) C4'-P energy: -163.218 bonds (distance) P-C4' energy: -165.838 flat angles C4'-P-C4' energy: -198.988 flat angles P-C4'-P energy: -121.063 tors. eta vs tors. theta energy: -279.474 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: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2947.936095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.936095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.936095 (E_RNA) where: Base-Base interactions energy: -2027.540 where: short stacking energy: -906.268 Base-Backbone interact. energy: 0.278 local terms energy: -920.673811 where: bonds (distance) C4'-P energy: -157.760 bonds (distance) P-C4' energy: -163.446 flat angles C4'-P-C4' energy: -197.467 flat angles P-C4'-P energy: -135.922 tors. eta vs tors. theta energy: -266.079 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: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2929.722945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.722945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.722945 (E_RNA) where: Base-Base interactions energy: -2054.311 where: short stacking energy: -866.096 Base-Backbone interact. energy: -5.743 local terms energy: -869.669279 where: bonds (distance) C4'-P energy: -147.206 bonds (distance) P-C4' energy: -175.425 flat angles C4'-P-C4' energy: -168.103 flat angles P-C4'-P energy: -133.774 tors. eta vs tors. theta energy: -245.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2813.071444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.071444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.071444 (E_RNA) where: Base-Base interactions energy: -1967.889 where: short stacking energy: -847.807 Base-Backbone interact. energy: -0.953 local terms energy: -844.230163 where: bonds (distance) C4'-P energy: -154.811 bonds (distance) P-C4' energy: -137.602 flat angles C4'-P-C4' energy: -176.137 flat angles P-C4'-P energy: -128.223 tors. eta vs tors. theta energy: -247.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2707.740824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.740824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.740824 (E_RNA) where: Base-Base interactions energy: -1868.332 where: short stacking energy: -820.029 Base-Backbone interact. energy: -1.701 local terms energy: -837.707517 where: bonds (distance) C4'-P energy: -138.866 bonds (distance) P-C4' energy: -154.288 flat angles C4'-P-C4' energy: -178.361 flat angles P-C4'-P energy: -118.409 tors. eta vs tors. theta energy: -247.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2560.656646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.656646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.656646 (E_RNA) where: Base-Base interactions energy: -1772.394 where: short stacking energy: -801.158 Base-Backbone interact. energy: 4.021 local terms energy: -792.283803 where: bonds (distance) C4'-P energy: -158.900 bonds (distance) P-C4' energy: -129.588 flat angles C4'-P-C4' energy: -173.973 flat angles P-C4'-P energy: -104.639 tors. eta vs tors. theta energy: -225.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2528.220204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.220204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.220204 (E_RNA) where: Base-Base interactions energy: -1773.066 where: short stacking energy: -752.054 Base-Backbone interact. energy: -1.106 local terms energy: -754.048122 where: bonds (distance) C4'-P energy: -130.520 bonds (distance) P-C4' energy: -138.692 flat angles C4'-P-C4' energy: -171.483 flat angles P-C4'-P energy: -106.015 tors. eta vs tors. theta energy: -207.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -2110.852114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.852114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.852114 (E_RNA) where: Base-Base interactions energy: -1428.714 where: short stacking energy: -653.639 Base-Backbone interact. energy: -2.286 local terms energy: -679.851564 where: bonds (distance) C4'-P energy: -135.879 bonds (distance) P-C4' energy: -119.928 flat angles C4'-P-C4' energy: -160.772 flat angles P-C4'-P energy: -101.461 tors. eta vs tors. theta energy: -161.811 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: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1608.081957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.081957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.081957 (E_RNA) where: Base-Base interactions energy: -1054.003 where: short stacking energy: -458.880 Base-Backbone interact. energy: 4.741 local terms energy: -558.820043 where: bonds (distance) C4'-P energy: -123.156 bonds (distance) P-C4' energy: -120.696 flat angles C4'-P-C4' energy: -135.094 flat angles P-C4'-P energy: -93.718 tors. eta vs tors. theta energy: -86.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1171.252949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.252949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.252949 (E_RNA) where: Base-Base interactions energy: -683.613 where: short stacking energy: -348.932 Base-Backbone interact. energy: 0.687 local terms energy: -488.327105 where: bonds (distance) C4'-P energy: -127.085 bonds (distance) P-C4' energy: -138.203 flat angles C4'-P-C4' energy: -133.702 flat angles P-C4'-P energy: -67.603 tors. eta vs tors. theta energy: -21.735 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: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3120.486198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.486198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.486198 (E_RNA) where: Base-Base interactions energy: -2183.650 where: short stacking energy: -926.037 Base-Backbone interact. energy: -5.528 local terms energy: -931.307974 where: bonds (distance) C4'-P energy: -172.982 bonds (distance) P-C4' energy: -148.880 flat angles C4'-P-C4' energy: -197.599 flat angles P-C4'-P energy: -141.934 tors. eta vs tors. theta energy: -269.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2975.305057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.305057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.305057 (E_RNA) where: Base-Base interactions energy: -2071.052 where: short stacking energy: -910.991 Base-Backbone interact. energy: -5.588 local terms energy: -898.665100 where: bonds (distance) C4'-P energy: -150.148 bonds (distance) P-C4' energy: -160.039 flat angles C4'-P-C4' energy: -188.774 flat angles P-C4'-P energy: -129.434 tors. eta vs tors. theta energy: -270.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2867.654774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.654774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.654774 (E_RNA) where: Base-Base interactions energy: -1960.236 where: short stacking energy: -857.724 Base-Backbone interact. energy: 0.128 local terms energy: -907.547313 where: bonds (distance) C4'-P energy: -173.277 bonds (distance) P-C4' energy: -164.573 flat angles C4'-P-C4' energy: -182.736 flat angles P-C4'-P energy: -128.499 tors. eta vs tors. theta energy: -258.461 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: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2805.076468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.076468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.076468 (E_RNA) where: Base-Base interactions energy: -1926.731 where: short stacking energy: -863.859 Base-Backbone interact. energy: -4.433 local terms energy: -873.912420 where: bonds (distance) C4'-P energy: -149.856 bonds (distance) P-C4' energy: -180.732 flat angles C4'-P-C4' energy: -176.834 flat angles P-C4'-P energy: -117.157 tors. eta vs tors. theta energy: -249.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2691.738645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.738645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.738645 (E_RNA) where: Base-Base interactions energy: -1891.256 where: short stacking energy: -824.421 Base-Backbone interact. energy: -0.153 local terms energy: -800.329090 where: bonds (distance) C4'-P energy: -128.725 bonds (distance) P-C4' energy: -146.830 flat angles C4'-P-C4' energy: -169.277 flat angles P-C4'-P energy: -113.993 tors. eta vs tors. theta energy: -241.504 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: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2548.891710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.891710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.891710 (E_RNA) where: Base-Base interactions energy: -1755.727 where: short stacking energy: -760.606 Base-Backbone interact. energy: -2.564 local terms energy: -790.600658 where: bonds (distance) C4'-P energy: -148.832 bonds (distance) P-C4' energy: -151.255 flat angles C4'-P-C4' energy: -164.787 flat angles P-C4'-P energy: -97.327 tors. eta vs tors. theta energy: -228.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2363.962376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.962376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.962376 (E_RNA) where: Base-Base interactions energy: -1672.173 where: short stacking energy: -706.888 Base-Backbone interact. energy: 3.113 local terms energy: -694.901827 where: bonds (distance) C4'-P energy: -116.729 bonds (distance) P-C4' energy: -139.735 flat angles C4'-P-C4' energy: -169.734 flat angles P-C4'-P energy: -83.119 tors. eta vs tors. theta energy: -185.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -2093.402337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.402337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.402337 (E_RNA) where: Base-Base interactions energy: -1436.203 where: short stacking energy: -620.999 Base-Backbone interact. energy: -0.119 local terms energy: -657.080514 where: bonds (distance) C4'-P energy: -120.068 bonds (distance) P-C4' energy: -105.194 flat angles C4'-P-C4' energy: -164.139 flat angles P-C4'-P energy: -104.011 tors. eta vs tors. theta energy: -163.668 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: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1618.344376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.344376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.344376 (E_RNA) where: Base-Base interactions energy: -1039.227 where: short stacking energy: -485.954 Base-Backbone interact. energy: -2.133 local terms energy: -576.984792 where: bonds (distance) C4'-P energy: -115.946 bonds (distance) P-C4' energy: -155.799 flat angles C4'-P-C4' energy: -139.673 flat angles P-C4'-P energy: -85.550 tors. eta vs tors. theta energy: -80.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1143.154972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.154972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.154972 (E_RNA) where: Base-Base interactions energy: -642.302 where: short stacking energy: -316.821 Base-Backbone interact. energy: -1.087 local terms energy: -499.766601 where: bonds (distance) C4'-P energy: -128.283 bonds (distance) P-C4' energy: -133.360 flat angles C4'-P-C4' energy: -137.200 flat angles P-C4'-P energy: -80.682 tors. eta vs tors. theta energy: -20.242 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: 1, replica: 3 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3124.479602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.479602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.479602 (E_RNA) where: Base-Base interactions energy: -2223.120 where: short stacking energy: -947.381 Base-Backbone interact. energy: -3.854 local terms energy: -897.506257 where: bonds (distance) C4'-P energy: -154.062 bonds (distance) P-C4' energy: -157.990 flat angles C4'-P-C4' energy: -195.557 flat angles P-C4'-P energy: -122.201 tors. eta vs tors. theta energy: -267.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2989.257381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.257381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.257381 (E_RNA) where: Base-Base interactions energy: -2064.625 where: short stacking energy: -922.873 Base-Backbone interact. energy: -1.705 local terms energy: -922.927461 where: bonds (distance) C4'-P energy: -158.168 bonds (distance) P-C4' energy: -144.030 flat angles C4'-P-C4' energy: -207.815 flat angles P-C4'-P energy: -138.800 tors. eta vs tors. theta energy: -274.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2884.479155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.479155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.479155 (E_RNA) where: Base-Base interactions energy: -2034.064 where: short stacking energy: -872.968 Base-Backbone interact. energy: -2.635 local terms energy: -847.780377 where: bonds (distance) C4'-P energy: -154.662 bonds (distance) P-C4' energy: -154.485 flat angles C4'-P-C4' energy: -179.066 flat angles P-C4'-P energy: -111.793 tors. eta vs tors. theta energy: -247.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2788.372877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.372877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.372877 (E_RNA) where: Base-Base interactions energy: -1960.600 where: short stacking energy: -861.028 Base-Backbone interact. energy: -3.391 local terms energy: -824.381939 where: bonds (distance) C4'-P energy: -131.461 bonds (distance) P-C4' energy: -160.106 flat angles C4'-P-C4' energy: -187.480 flat angles P-C4'-P energy: -102.193 tors. eta vs tors. theta energy: -243.142 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: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2668.097908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.097908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.097908 (E_RNA) where: Base-Base interactions energy: -1831.597 where: short stacking energy: -772.564 Base-Backbone interact. energy: 1.907 local terms energy: -838.408471 where: bonds (distance) C4'-P energy: -155.738 bonds (distance) P-C4' energy: -163.198 flat angles C4'-P-C4' energy: -176.653 flat angles P-C4'-P energy: -109.467 tors. eta vs tors. theta energy: -233.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2564.369105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.369105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.369105 (E_RNA) where: Base-Base interactions energy: -1764.081 where: short stacking energy: -780.135 Base-Backbone interact. energy: 0.588 local terms energy: -800.876819 where: bonds (distance) C4'-P energy: -154.315 bonds (distance) P-C4' energy: -137.696 flat angles C4'-P-C4' energy: -156.526 flat angles P-C4'-P energy: -124.253 tors. eta vs tors. theta energy: -228.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2460.393222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.393222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.393222 (E_RNA) where: Base-Base interactions energy: -1717.361 where: short stacking energy: -747.089 Base-Backbone interact. energy: 0.641 local terms energy: -743.673340 where: bonds (distance) C4'-P energy: -128.216 bonds (distance) P-C4' energy: -138.283 flat angles C4'-P-C4' energy: -171.539 flat angles P-C4'-P energy: -101.221 tors. eta vs tors. theta energy: -204.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -2125.549126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.549126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.549126 (E_RNA) where: Base-Base interactions energy: -1440.031 where: short stacking energy: -663.866 Base-Backbone interact. energy: -2.450 local terms energy: -683.067915 where: bonds (distance) C4'-P energy: -121.555 bonds (distance) P-C4' energy: -132.578 flat angles C4'-P-C4' energy: -154.570 flat angles P-C4'-P energy: -109.715 tors. eta vs tors. theta energy: -164.650 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: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1559.891897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.891897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.891897 (E_RNA) where: Base-Base interactions energy: -1013.006 where: short stacking energy: -477.071 Base-Backbone interact. energy: -2.548 local terms energy: -544.338146 where: bonds (distance) C4'-P energy: -123.282 bonds (distance) P-C4' energy: -130.317 flat angles C4'-P-C4' energy: -139.176 flat angles P-C4'-P energy: -64.872 tors. eta vs tors. theta energy: -86.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1137.055800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.055800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.055800 (E_RNA) where: Base-Base interactions energy: -646.185 where: short stacking energy: -347.404 Base-Backbone interact. energy: 8.259 local terms energy: -499.130183 where: bonds (distance) C4'-P energy: -136.946 bonds (distance) P-C4' energy: -130.687 flat angles C4'-P-C4' energy: -137.857 flat angles P-C4'-P energy: -66.179 tors. eta vs tors. theta energy: -27.461 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: 3 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3131.762375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.762375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.762375 (E_RNA) where: Base-Base interactions energy: -2189.133 where: short stacking energy: -910.332 Base-Backbone interact. energy: -2.605 local terms energy: -940.025027 where: bonds (distance) C4'-P energy: -168.321 bonds (distance) P-C4' energy: -161.752 flat angles C4'-P-C4' energy: -194.708 flat angles P-C4'-P energy: -138.584 tors. eta vs tors. theta energy: -276.660 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: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2973.779372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.779372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.779372 (E_RNA) where: Base-Base interactions energy: -2066.459 where: short stacking energy: -905.201 Base-Backbone interact. energy: -4.714 local terms energy: -902.606771 where: bonds (distance) C4'-P energy: -153.303 bonds (distance) P-C4' energy: -151.179 flat angles C4'-P-C4' energy: -186.584 flat angles P-C4'-P energy: -135.567 tors. eta vs tors. theta energy: -275.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2857.927510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.927510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.927510 (E_RNA) where: Base-Base interactions energy: -1999.265 where: short stacking energy: -861.636 Base-Backbone interact. energy: 0.264 local terms energy: -858.926841 where: bonds (distance) C4'-P energy: -155.689 bonds (distance) P-C4' energy: -160.623 flat angles C4'-P-C4' energy: -183.810 flat angles P-C4'-P energy: -115.761 tors. eta vs tors. theta energy: -243.045 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: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2777.641644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.641644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.641644 (E_RNA) where: Base-Base interactions energy: -1924.619 where: short stacking energy: -846.284 Base-Backbone interact. energy: -0.715 local terms energy: -852.307286 where: bonds (distance) C4'-P energy: -134.368 bonds (distance) P-C4' energy: -171.885 flat angles C4'-P-C4' energy: -169.036 flat angles P-C4'-P energy: -130.795 tors. eta vs tors. theta energy: -246.223 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: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2727.456420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.456420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.456420 (E_RNA) where: Base-Base interactions energy: -1868.469 where: short stacking energy: -851.551 Base-Backbone interact. energy: -1.944 local terms energy: -857.043336 where: bonds (distance) C4'-P energy: -141.348 bonds (distance) P-C4' energy: -149.378 flat angles C4'-P-C4' energy: -188.395 flat angles P-C4'-P energy: -123.655 tors. eta vs tors. theta energy: -254.268 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: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2556.410076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.410076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.410076 (E_RNA) where: Base-Base interactions energy: -1761.768 where: short stacking energy: -785.496 Base-Backbone interact. energy: -3.496 local terms energy: -791.145971 where: bonds (distance) C4'-P energy: -142.422 bonds (distance) P-C4' energy: -147.501 flat angles C4'-P-C4' energy: -162.546 flat angles P-C4'-P energy: -107.890 tors. eta vs tors. theta energy: -230.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2395.336739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.336739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.336739 (E_RNA) where: Base-Base interactions energy: -1679.814 where: short stacking energy: -710.568 Base-Backbone interact. energy: -0.261 local terms energy: -715.261998 where: bonds (distance) C4'-P energy: -135.743 bonds (distance) P-C4' energy: -128.915 flat angles C4'-P-C4' energy: -167.413 flat angles P-C4'-P energy: -95.203 tors. eta vs tors. theta energy: -187.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -2071.237566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.237566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.237566 (E_RNA) where: Base-Base interactions energy: -1391.546 where: short stacking energy: -607.907 Base-Backbone interact. energy: 1.673 local terms energy: -681.364997 where: bonds (distance) C4'-P energy: -127.506 bonds (distance) P-C4' energy: -141.106 flat angles C4'-P-C4' energy: -154.281 flat angles P-C4'-P energy: -102.472 tors. eta vs tors. theta energy: -156.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1595.177202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.177202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.177202 (E_RNA) where: Base-Base interactions energy: -1076.527 where: short stacking energy: -465.620 Base-Backbone interact. energy: 8.424 local terms energy: -527.073860 where: bonds (distance) C4'-P energy: -131.576 bonds (distance) P-C4' energy: -118.151 flat angles C4'-P-C4' energy: -140.995 flat angles P-C4'-P energy: -68.542 tors. eta vs tors. theta energy: -67.809 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: 9 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1073.369557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.369557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.369557 (E_RNA) where: Base-Base interactions energy: -606.408 where: short stacking energy: -300.314 Base-Backbone interact. energy: 1.706 local terms energy: -468.667340 where: bonds (distance) C4'-P energy: -143.040 bonds (distance) P-C4' energy: -143.348 flat angles C4'-P-C4' energy: -124.876 flat angles P-C4'-P energy: -48.830 tors. eta vs tors. theta energy: -8.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3163.539266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.539266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.539266 (E_RNA) where: Base-Base interactions energy: -2220.647 where: short stacking energy: -923.924 Base-Backbone interact. energy: -6.517 local terms energy: -936.375131 where: bonds (distance) C4'-P energy: -188.813 bonds (distance) P-C4' energy: -157.973 flat angles C4'-P-C4' energy: -185.640 flat angles P-C4'-P energy: -127.011 tors. eta vs tors. theta energy: -276.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2981.731917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.731917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.731917 (E_RNA) where: Base-Base interactions energy: -2067.279 where: short stacking energy: -912.521 Base-Backbone interact. energy: -2.906 local terms energy: -911.547446 where: bonds (distance) C4'-P energy: -161.574 bonds (distance) P-C4' energy: -158.995 flat angles C4'-P-C4' energy: -196.815 flat angles P-C4'-P energy: -123.248 tors. eta vs tors. theta energy: -270.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2829.576220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.576220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.576220 (E_RNA) where: Base-Base interactions energy: -1967.717 where: short stacking energy: -874.646 Base-Backbone interact. energy: -2.453 local terms energy: -859.406331 where: bonds (distance) C4'-P energy: -147.164 bonds (distance) P-C4' energy: -157.475 flat angles C4'-P-C4' energy: -176.540 flat angles P-C4'-P energy: -121.582 tors. eta vs tors. theta energy: -256.645 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: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2788.071726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.071726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.071726 (E_RNA) where: Base-Base interactions energy: -1948.347 where: short stacking energy: -822.082 Base-Backbone interact. energy: -4.132 local terms energy: -835.592459 where: bonds (distance) C4'-P energy: -159.366 bonds (distance) P-C4' energy: -163.511 flat angles C4'-P-C4' energy: -183.824 flat angles P-C4'-P energy: -103.456 tors. eta vs tors. theta energy: -225.435 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: 284 Temperature: 1.100000 Total energy: -2734.380722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.380722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.380722 (E_RNA) where: Base-Base interactions energy: -1892.758 where: short stacking energy: -824.898 Base-Backbone interact. energy: -0.841 local terms energy: -840.781648 where: bonds (distance) C4'-P energy: -149.433 bonds (distance) P-C4' energy: -154.418 flat angles C4'-P-C4' energy: -176.848 flat angles P-C4'-P energy: -107.009 tors. eta vs tors. theta energy: -253.074 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: 284 Temperature: 1.150000 Total energy: -2550.547814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.547814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.547814 (E_RNA) where: Base-Base interactions energy: -1792.549 where: short stacking energy: -765.639 Base-Backbone interact. energy: 3.528 local terms energy: -761.526520 where: bonds (distance) C4'-P energy: -145.065 bonds (distance) P-C4' energy: -135.928 flat angles C4'-P-C4' energy: -171.063 flat angles P-C4'-P energy: -99.911 tors. eta vs tors. theta energy: -209.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2391.142015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.142015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.142015 (E_RNA) where: Base-Base interactions energy: -1660.859 where: short stacking energy: -726.260 Base-Backbone interact. energy: -4.834 local terms energy: -725.448789 where: bonds (distance) C4'-P energy: -133.171 bonds (distance) P-C4' energy: -141.525 flat angles C4'-P-C4' energy: -166.374 flat angles P-C4'-P energy: -85.726 tors. eta vs tors. theta energy: -198.653 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: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -2010.217457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.217457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.217457 (E_RNA) where: Base-Base interactions energy: -1342.539 where: short stacking energy: -614.565 Base-Backbone interact. energy: -3.082 local terms energy: -664.596543 where: bonds (distance) C4'-P energy: -119.622 bonds (distance) P-C4' energy: -148.185 flat angles C4'-P-C4' energy: -149.521 flat angles P-C4'-P energy: -89.557 tors. eta vs tors. theta energy: -157.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1545.745080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.745080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.745080 (E_RNA) where: Base-Base interactions energy: -1002.128 where: short stacking energy: -445.963 Base-Backbone interact. energy: -0.353 local terms energy: -543.263231 where: bonds (distance) C4'-P energy: -121.771 bonds (distance) P-C4' energy: -138.306 flat angles C4'-P-C4' energy: -130.909 flat angles P-C4'-P energy: -89.016 tors. eta vs tors. theta energy: -63.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1170.977762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.977762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.977762 (E_RNA) where: Base-Base interactions energy: -688.268 where: short stacking energy: -339.271 Base-Backbone interact. energy: -1.392 local terms energy: -481.317682 where: bonds (distance) C4'-P energy: -123.753 bonds (distance) P-C4' energy: -119.929 flat angles C4'-P-C4' energy: -118.879 flat angles P-C4'-P energy: -79.664 tors. eta vs tors. theta energy: -39.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3144.492547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.492547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.492547 (E_RNA) where: Base-Base interactions energy: -2202.119 where: short stacking energy: -947.494 Base-Backbone interact. energy: -4.641 local terms energy: -937.733205 where: bonds (distance) C4'-P energy: -166.322 bonds (distance) P-C4' energy: -165.827 flat angles C4'-P-C4' energy: -183.188 flat angles P-C4'-P energy: -141.867 tors. eta vs tors. theta energy: -280.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2966.769754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.769754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.769754 (E_RNA) where: Base-Base interactions energy: -2059.199 where: short stacking energy: -894.038 Base-Backbone interact. energy: 1.070 local terms energy: -908.640857 where: bonds (distance) C4'-P energy: -141.320 bonds (distance) P-C4' energy: -184.318 flat angles C4'-P-C4' energy: -194.187 flat angles P-C4'-P energy: -128.387 tors. eta vs tors. theta energy: -260.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2837.606700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.606700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.606700 (E_RNA) where: Base-Base interactions energy: -1969.680 where: short stacking energy: -863.559 Base-Backbone interact. energy: -2.013 local terms energy: -865.913966 where: bonds (distance) C4'-P energy: -160.196 bonds (distance) P-C4' energy: -153.029 flat angles C4'-P-C4' energy: -186.930 flat angles P-C4'-P energy: -111.140 tors. eta vs tors. theta energy: -254.619 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: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2814.315225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.315225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.315225 (E_RNA) where: Base-Base interactions energy: -1989.284 where: short stacking energy: -841.513 Base-Backbone interact. energy: 0.384 local terms energy: -825.415594 where: bonds (distance) C4'-P energy: -132.257 bonds (distance) P-C4' energy: -155.776 flat angles C4'-P-C4' energy: -181.897 flat angles P-C4'-P energy: -115.182 tors. eta vs tors. theta energy: -240.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2684.510668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.510668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.510668 (E_RNA) where: Base-Base interactions energy: -1865.543 where: short stacking energy: -822.937 Base-Backbone interact. energy: -1.395 local terms energy: -817.572363 where: bonds (distance) C4'-P energy: -136.646 bonds (distance) P-C4' energy: -152.369 flat angles C4'-P-C4' energy: -178.939 flat angles P-C4'-P energy: -115.028 tors. eta vs tors. theta energy: -234.590 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: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2498.184269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.184269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.184269 (E_RNA) where: Base-Base interactions energy: -1753.700 where: short stacking energy: -752.425 Base-Backbone interact. energy: -0.410 local terms energy: -744.074233 where: bonds (distance) C4'-P energy: -119.593 bonds (distance) P-C4' energy: -138.417 flat angles C4'-P-C4' energy: -173.887 flat angles P-C4'-P energy: -107.303 tors. eta vs tors. theta energy: -204.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2365.466538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.466538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.466538 (E_RNA) where: Base-Base interactions energy: -1677.838 where: short stacking energy: -714.722 Base-Backbone interact. energy: -4.423 local terms energy: -683.205392 where: bonds (distance) C4'-P energy: -111.785 bonds (distance) P-C4' energy: -139.494 flat angles C4'-P-C4' energy: -157.751 flat angles P-C4'-P energy: -93.506 tors. eta vs tors. theta energy: -180.669 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: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1989.080171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.080171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.080171 (E_RNA) where: Base-Base interactions energy: -1366.995 where: short stacking energy: -612.577 Base-Backbone interact. energy: -0.570 local terms energy: -621.515352 where: bonds (distance) C4'-P energy: -128.729 bonds (distance) P-C4' energy: -140.134 flat angles C4'-P-C4' energy: -120.102 flat angles P-C4'-P energy: -90.690 tors. eta vs tors. theta energy: -141.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1611.013400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.013400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.013400 (E_RNA) where: Base-Base interactions energy: -1060.917 where: short stacking energy: -473.143 Base-Backbone interact. energy: 4.809 local terms energy: -554.904878 where: bonds (distance) C4'-P energy: -135.151 bonds (distance) P-C4' energy: -125.856 flat angles C4'-P-C4' energy: -128.981 flat angles P-C4'-P energy: -85.263 tors. eta vs tors. theta energy: -79.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1295.910998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.910998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.910998 (E_RNA) where: Base-Base interactions energy: -764.765 where: short stacking energy: -349.454 Base-Backbone interact. energy: -0.224 local terms energy: -530.921660 where: bonds (distance) C4'-P energy: -129.740 bonds (distance) P-C4' energy: -144.851 flat angles C4'-P-C4' energy: -138.825 flat angles P-C4'-P energy: -75.549 tors. eta vs tors. theta energy: -41.956 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: 1, replica: 3 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3124.144833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.144833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.144833 (E_RNA) where: Base-Base interactions energy: -2177.876 where: short stacking energy: -898.306 Base-Backbone interact. energy: -4.122 local terms energy: -942.146891 where: bonds (distance) C4'-P energy: -175.843 bonds (distance) P-C4' energy: -178.369 flat angles C4'-P-C4' energy: -191.160 flat angles P-C4'-P energy: -122.653 tors. eta vs tors. theta energy: -274.121 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: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2978.840579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.840579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.840579 (E_RNA) where: Base-Base interactions energy: -2062.328 where: short stacking energy: -934.042 Base-Backbone interact. energy: -4.242 local terms energy: -912.269898 where: bonds (distance) C4'-P energy: -151.365 bonds (distance) P-C4' energy: -159.345 flat angles C4'-P-C4' energy: -202.840 flat angles P-C4'-P energy: -128.812 tors. eta vs tors. theta energy: -269.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2850.003383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.003383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.003383 (E_RNA) where: Base-Base interactions energy: -2019.198 where: short stacking energy: -860.068 Base-Backbone interact. energy: 1.859 local terms energy: -832.664583 where: bonds (distance) C4'-P energy: -149.470 bonds (distance) P-C4' energy: -142.322 flat angles C4'-P-C4' energy: -186.296 flat angles P-C4'-P energy: -104.165 tors. eta vs tors. theta energy: -250.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2789.198910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.198910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.198910 (E_RNA) where: Base-Base interactions energy: -1937.979 where: short stacking energy: -854.373 Base-Backbone interact. energy: 0.177 local terms energy: -851.397390 where: bonds (distance) C4'-P energy: -164.783 bonds (distance) P-C4' energy: -154.470 flat angles C4'-P-C4' energy: -173.856 flat angles P-C4'-P energy: -101.346 tors. eta vs tors. theta energy: -256.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2675.093968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.093968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.093968 (E_RNA) where: Base-Base interactions energy: -1877.008 where: short stacking energy: -816.894 Base-Backbone interact. energy: -4.029 local terms energy: -794.057528 where: bonds (distance) C4'-P energy: -119.253 bonds (distance) P-C4' energy: -154.429 flat angles C4'-P-C4' energy: -175.833 flat angles P-C4'-P energy: -104.575 tors. eta vs tors. theta energy: -239.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2501.103298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.103298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.103298 (E_RNA) where: Base-Base interactions energy: -1723.775 where: short stacking energy: -740.383 Base-Backbone interact. energy: -0.993 local terms energy: -776.335765 where: bonds (distance) C4'-P energy: -138.334 bonds (distance) P-C4' energy: -149.812 flat angles C4'-P-C4' energy: -164.354 flat angles P-C4'-P energy: -105.037 tors. eta vs tors. theta energy: -218.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2357.792847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.792847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.792847 (E_RNA) where: Base-Base interactions energy: -1631.600 where: short stacking energy: -724.885 Base-Backbone interact. energy: -1.209 local terms energy: -724.983858 where: bonds (distance) C4'-P energy: -137.025 bonds (distance) P-C4' energy: -144.357 flat angles C4'-P-C4' energy: -165.874 flat angles P-C4'-P energy: -83.255 tors. eta vs tors. theta energy: -194.472 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: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -2086.262724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.262724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.262724 (E_RNA) where: Base-Base interactions energy: -1406.244 where: short stacking energy: -622.575 Base-Backbone interact. energy: -4.888 local terms energy: -675.130313 where: bonds (distance) C4'-P energy: -138.811 bonds (distance) P-C4' energy: -145.993 flat angles C4'-P-C4' energy: -143.205 flat angles P-C4'-P energy: -85.390 tors. eta vs tors. theta energy: -161.732 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: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1650.699107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.699107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.699107 (E_RNA) where: Base-Base interactions energy: -1103.216 where: short stacking energy: -479.577 Base-Backbone interact. energy: 3.215 local terms energy: -550.698394 where: bonds (distance) C4'-P energy: -132.254 bonds (distance) P-C4' energy: -131.287 flat angles C4'-P-C4' energy: -134.111 flat angles P-C4'-P energy: -69.646 tors. eta vs tors. theta energy: -83.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1227.624410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.624410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.624410 (E_RNA) where: Base-Base interactions energy: -734.287 where: short stacking energy: -363.377 Base-Backbone interact. energy: 8.982 local terms energy: -502.319304 where: bonds (distance) C4'-P energy: -119.092 bonds (distance) P-C4' energy: -129.746 flat angles C4'-P-C4' energy: -115.718 flat angles P-C4'-P energy: -79.746 tors. eta vs tors. theta energy: -58.017 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: 3 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3125.814020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.814020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.814020 (E_RNA) where: Base-Base interactions energy: -2181.864 where: short stacking energy: -907.100 Base-Backbone interact. energy: -6.878 local terms energy: -937.072718 where: bonds (distance) C4'-P energy: -161.573 bonds (distance) P-C4' energy: -162.812 flat angles C4'-P-C4' energy: -194.284 flat angles P-C4'-P energy: -142.674 tors. eta vs tors. theta energy: -275.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2980.243863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.243863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.243863 (E_RNA) where: Base-Base interactions energy: -2082.756 where: short stacking energy: -887.408 Base-Backbone interact. energy: -2.285 local terms energy: -895.202547 where: bonds (distance) C4'-P energy: -157.872 bonds (distance) P-C4' energy: -166.694 flat angles C4'-P-C4' energy: -176.837 flat angles P-C4'-P energy: -128.344 tors. eta vs tors. theta energy: -265.456 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: 3, replica: 4 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2870.321736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.321736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.321736 (E_RNA) where: Base-Base interactions energy: -2021.486 where: short stacking energy: -847.265 Base-Backbone interact. energy: -5.456 local terms energy: -843.379523 where: bonds (distance) C4'-P energy: -129.679 bonds (distance) P-C4' energy: -154.665 flat angles C4'-P-C4' energy: -188.923 flat angles P-C4'-P energy: -123.420 tors. eta vs tors. theta energy: -246.692 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: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2828.203181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.203181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.203181 (E_RNA) where: Base-Base interactions energy: -1992.964 where: short stacking energy: -867.287 Base-Backbone interact. energy: -2.675 local terms energy: -832.564393 where: bonds (distance) C4'-P energy: -139.014 bonds (distance) P-C4' energy: -163.264 flat angles C4'-P-C4' energy: -182.391 flat angles P-C4'-P energy: -104.527 tors. eta vs tors. theta energy: -243.368 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: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2692.735660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.735660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.735660 (E_RNA) where: Base-Base interactions energy: -1843.805 where: short stacking energy: -808.221 Base-Backbone interact. energy: -3.956 local terms energy: -844.974564 where: bonds (distance) C4'-P energy: -149.647 bonds (distance) P-C4' energy: -154.045 flat angles C4'-P-C4' energy: -183.106 flat angles P-C4'-P energy: -117.063 tors. eta vs tors. theta energy: -241.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2503.514413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.514413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.514413 (E_RNA) where: Base-Base interactions energy: -1767.937 where: short stacking energy: -775.106 Base-Backbone interact. energy: 1.605 local terms energy: -737.182173 where: bonds (distance) C4'-P energy: -133.429 bonds (distance) P-C4' energy: -148.898 flat angles C4'-P-C4' energy: -168.195 flat angles P-C4'-P energy: -87.420 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: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2400.216291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.216291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.216291 (E_RNA) where: Base-Base interactions energy: -1676.368 where: short stacking energy: -712.620 Base-Backbone interact. energy: -1.624 local terms energy: -722.224342 where: bonds (distance) C4'-P energy: -130.393 bonds (distance) P-C4' energy: -132.983 flat angles C4'-P-C4' energy: -152.778 flat angles P-C4'-P energy: -110.863 tors. eta vs tors. theta energy: -195.208 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: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1941.760148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.760148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.760148 (E_RNA) where: Base-Base interactions energy: -1262.003 where: short stacking energy: -585.970 Base-Backbone interact. energy: -3.086 local terms energy: -676.671172 where: bonds (distance) C4'-P energy: -151.237 bonds (distance) P-C4' energy: -150.192 flat angles C4'-P-C4' energy: -145.512 flat angles P-C4'-P energy: -86.794 tors. eta vs tors. theta energy: -142.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1574.629574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.629574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.629574 (E_RNA) where: Base-Base interactions energy: -1038.220 where: short stacking energy: -443.452 Base-Backbone interact. energy: 2.770 local terms energy: -539.179431 where: bonds (distance) C4'-P energy: -92.230 bonds (distance) P-C4' energy: -146.947 flat angles C4'-P-C4' energy: -138.713 flat angles P-C4'-P energy: -84.180 tors. eta vs tors. theta energy: -77.109 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: 287 Temperature: 1.350000 Total energy: -1226.025412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.025412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.025412 (E_RNA) where: Base-Base interactions energy: -729.872 where: short stacking energy: -394.648 Base-Backbone interact. energy: 0.857 local terms energy: -497.010838 where: bonds (distance) C4'-P energy: -123.709 bonds (distance) P-C4' energy: -126.237 flat angles C4'-P-C4' energy: -124.066 flat angles P-C4'-P energy: -74.682 tors. eta vs tors. theta energy: -48.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3125.421218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.421218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.421218 (E_RNA) where: Base-Base interactions energy: -2186.058 where: short stacking energy: -925.190 Base-Backbone interact. energy: -4.461 local terms energy: -934.902219 where: bonds (distance) C4'-P energy: -149.894 bonds (distance) P-C4' energy: -179.430 flat angles C4'-P-C4' energy: -208.689 flat angles P-C4'-P energy: -125.537 tors. eta vs tors. theta energy: -271.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2977.363508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.363508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.363508 (E_RNA) where: Base-Base interactions energy: -2083.095 where: short stacking energy: -925.718 Base-Backbone interact. energy: -1.434 local terms energy: -892.834240 where: bonds (distance) C4'-P energy: -149.579 bonds (distance) P-C4' energy: -155.606 flat angles C4'-P-C4' energy: -194.524 flat angles P-C4'-P energy: -119.316 tors. eta vs tors. theta energy: -273.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2854.331823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.331823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.331823 (E_RNA) where: Base-Base interactions energy: -2005.281 where: short stacking energy: -879.329 Base-Backbone interact. energy: 2.056 local terms energy: -851.107453 where: bonds (distance) C4'-P energy: -150.496 bonds (distance) P-C4' energy: -153.469 flat angles C4'-P-C4' energy: -165.883 flat angles P-C4'-P energy: -124.431 tors. eta vs tors. theta energy: -256.827 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: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2779.169308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.169308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.169308 (E_RNA) where: Base-Base interactions energy: -1943.846 where: short stacking energy: -852.775 Base-Backbone interact. energy: -6.491 local terms energy: -828.832594 where: bonds (distance) C4'-P energy: -145.756 bonds (distance) P-C4' energy: -159.337 flat angles C4'-P-C4' energy: -181.763 flat angles P-C4'-P energy: -99.050 tors. eta vs tors. theta energy: -242.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2671.025054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.025054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.025054 (E_RNA) where: Base-Base interactions energy: -1860.148 where: short stacking energy: -836.025 Base-Backbone interact. energy: -2.374 local terms energy: -808.503020 where: bonds (distance) C4'-P energy: -118.614 bonds (distance) P-C4' energy: -146.420 flat angles C4'-P-C4' energy: -179.856 flat angles P-C4'-P energy: -121.910 tors. eta vs tors. theta energy: -241.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2555.272464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.272464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.272464 (E_RNA) where: Base-Base interactions energy: -1780.175 where: short stacking energy: -794.992 Base-Backbone interact. energy: -1.285 local terms energy: -773.812190 where: bonds (distance) C4'-P energy: -146.829 bonds (distance) P-C4' energy: -133.047 flat angles C4'-P-C4' energy: -154.534 flat angles P-C4'-P energy: -122.087 tors. eta vs tors. theta energy: -217.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2370.513589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.513589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.513589 (E_RNA) where: Base-Base interactions energy: -1631.793 where: short stacking energy: -672.401 Base-Backbone interact. energy: -2.366 local terms energy: -736.354111 where: bonds (distance) C4'-P energy: -148.181 bonds (distance) P-C4' energy: -142.400 flat angles C4'-P-C4' energy: -150.541 flat angles P-C4'-P energy: -107.226 tors. eta vs tors. theta energy: -188.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -2008.880174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.880174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.880174 (E_RNA) where: Base-Base interactions energy: -1341.913 where: short stacking energy: -602.745 Base-Backbone interact. energy: -0.621 local terms energy: -666.346754 where: bonds (distance) C4'-P energy: -129.371 bonds (distance) P-C4' energy: -130.475 flat angles C4'-P-C4' energy: -153.699 flat angles P-C4'-P energy: -94.337 tors. eta vs tors. theta energy: -158.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1553.754599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.754599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.754599 (E_RNA) where: Base-Base interactions energy: -1005.529 where: short stacking energy: -475.161 Base-Backbone interact. energy: 10.926 local terms energy: -559.151199 where: bonds (distance) C4'-P energy: -128.733 bonds (distance) P-C4' energy: -131.091 flat angles C4'-P-C4' energy: -117.931 flat angles P-C4'-P energy: -86.426 tors. eta vs tors. theta energy: -94.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1199.934300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.934300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.934300 (E_RNA) where: Base-Base interactions energy: -720.994 where: short stacking energy: -354.314 Base-Backbone interact. energy: -4.429 local terms energy: -474.511611 where: bonds (distance) C4'-P energy: -140.002 bonds (distance) P-C4' energy: -146.021 flat angles C4'-P-C4' energy: -121.137 flat angles P-C4'-P energy: -58.342 tors. eta vs tors. theta energy: -9.009 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: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3126.149942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.149942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.149942 (E_RNA) where: Base-Base interactions energy: -2231.255 where: short stacking energy: -914.504 Base-Backbone interact. energy: -5.733 local terms energy: -889.162279 where: bonds (distance) C4'-P energy: -157.295 bonds (distance) P-C4' energy: -151.719 flat angles C4'-P-C4' energy: -189.693 flat angles P-C4'-P energy: -131.282 tors. eta vs tors. theta energy: -259.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -3006.715386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.715386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.715386 (E_RNA) where: Base-Base interactions energy: -2118.990 where: short stacking energy: -925.550 Base-Backbone interact. energy: -2.169 local terms energy: -885.556887 where: bonds (distance) C4'-P energy: -131.700 bonds (distance) P-C4' energy: -154.494 flat angles C4'-P-C4' energy: -194.274 flat angles P-C4'-P energy: -139.383 tors. eta vs tors. theta energy: -265.706 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: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2846.982138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.982138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.982138 (E_RNA) where: Base-Base interactions energy: -1977.924 where: short stacking energy: -864.955 Base-Backbone interact. energy: -2.979 local terms energy: -866.079013 where: bonds (distance) C4'-P energy: -155.039 bonds (distance) P-C4' energy: -157.984 flat angles C4'-P-C4' energy: -178.289 flat angles P-C4'-P energy: -124.467 tors. eta vs tors. theta energy: -250.299 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: 8 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2759.014581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.014581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.014581 (E_RNA) where: Base-Base interactions energy: -1895.451 where: short stacking energy: -851.227 Base-Backbone interact. energy: -1.134 local terms energy: -862.429624 where: bonds (distance) C4'-P energy: -160.067 bonds (distance) P-C4' energy: -152.524 flat angles C4'-P-C4' energy: -176.128 flat angles P-C4'-P energy: -115.028 tors. eta vs tors. theta energy: -258.683 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: 289 Temperature: 1.100000 Total energy: -2729.352636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.352636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.352636 (E_RNA) where: Base-Base interactions energy: -1871.481 where: short stacking energy: -844.567 Base-Backbone interact. energy: -2.114 local terms energy: -855.758173 where: bonds (distance) C4'-P energy: -150.155 bonds (distance) P-C4' energy: -178.595 flat angles C4'-P-C4' energy: -174.329 flat angles P-C4'-P energy: -110.473 tors. eta vs tors. theta energy: -242.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2528.487734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.487734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.487734 (E_RNA) where: Base-Base interactions energy: -1809.316 where: short stacking energy: -754.135 Base-Backbone interact. energy: 0.264 local terms energy: -719.435064 where: bonds (distance) C4'-P energy: -132.927 bonds (distance) P-C4' energy: -135.112 flat angles C4'-P-C4' energy: -161.777 flat angles P-C4'-P energy: -96.279 tors. eta vs tors. theta energy: -193.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2341.734513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.734513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.734513 (E_RNA) where: Base-Base interactions energy: -1616.239 where: short stacking energy: -704.830 Base-Backbone interact. energy: -0.955 local terms energy: -724.540443 where: bonds (distance) C4'-P energy: -137.438 bonds (distance) P-C4' energy: -151.554 flat angles C4'-P-C4' energy: -158.069 flat angles P-C4'-P energy: -97.389 tors. eta vs tors. theta energy: -180.091 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: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -2059.614060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.614060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.614060 (E_RNA) where: Base-Base interactions energy: -1377.578 where: short stacking energy: -642.028 Base-Backbone interact. energy: -2.717 local terms energy: -679.318699 where: bonds (distance) C4'-P energy: -132.463 bonds (distance) P-C4' energy: -137.110 flat angles C4'-P-C4' energy: -165.910 flat angles P-C4'-P energy: -92.226 tors. eta vs tors. theta energy: -151.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1499.105231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.105231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.105231 (E_RNA) where: Base-Base interactions energy: -980.198 where: short stacking energy: -442.196 Base-Backbone interact. energy: 0.900 local terms energy: -519.806786 where: bonds (distance) C4'-P energy: -120.689 bonds (distance) P-C4' energy: -126.756 flat angles C4'-P-C4' energy: -126.001 flat angles P-C4'-P energy: -73.315 tors. eta vs tors. theta energy: -73.046 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: 9 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1167.441519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.441519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.441519 (E_RNA) where: Base-Base interactions energy: -690.113 where: short stacking energy: -358.927 Base-Backbone interact. energy: 0.747 local terms energy: -478.075104 where: bonds (distance) C4'-P energy: -118.000 bonds (distance) P-C4' energy: -134.482 flat angles C4'-P-C4' energy: -114.006 flat angles P-C4'-P energy: -80.571 tors. eta vs tors. theta energy: -31.017 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: 3 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3130.931703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.931703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.931703 (E_RNA) where: Base-Base interactions energy: -2222.726 where: short stacking energy: -935.809 Base-Backbone interact. energy: -3.098 local terms energy: -905.107323 where: bonds (distance) C4'-P energy: -143.298 bonds (distance) P-C4' energy: -155.693 flat angles C4'-P-C4' energy: -207.461 flat angles P-C4'-P energy: -132.831 tors. eta vs tors. theta energy: -265.825 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: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -3011.476444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.476444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.476444 (E_RNA) where: Base-Base interactions energy: -2095.720 where: short stacking energy: -909.387 Base-Backbone interact. energy: -3.702 local terms energy: -912.053973 where: bonds (distance) C4'-P energy: -151.954 bonds (distance) P-C4' energy: -156.843 flat angles C4'-P-C4' energy: -194.584 flat angles P-C4'-P energy: -144.038 tors. eta vs tors. theta energy: -264.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2816.524646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.524646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.524646 (E_RNA) where: Base-Base interactions energy: -1921.127 where: short stacking energy: -830.382 Base-Backbone interact. energy: -2.434 local terms energy: -892.963836 where: bonds (distance) C4'-P energy: -165.956 bonds (distance) P-C4' energy: -165.554 flat angles C4'-P-C4' energy: -192.356 flat angles P-C4'-P energy: -124.191 tors. eta vs tors. theta energy: -244.907 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: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2780.169110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.169110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.169110 (E_RNA) where: Base-Base interactions energy: -1933.930 where: short stacking energy: -858.876 Base-Backbone interact. energy: 1.205 local terms energy: -847.443669 where: bonds (distance) C4'-P energy: -137.890 bonds (distance) P-C4' energy: -165.116 flat angles C4'-P-C4' energy: -182.465 flat angles P-C4'-P energy: -116.851 tors. eta vs tors. theta energy: -245.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2674.128067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.128067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.128067 (E_RNA) where: Base-Base interactions energy: -1891.154 where: short stacking energy: -826.731 Base-Backbone interact. energy: 1.281 local terms energy: -784.254991 where: bonds (distance) C4'-P energy: -130.086 bonds (distance) P-C4' energy: -144.530 flat angles C4'-P-C4' energy: -176.205 flat angles P-C4'-P energy: -100.916 tors. eta vs tors. theta energy: -232.518 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: 290 Temperature: 1.150000 Total energy: -2583.764744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.764744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.764744 (E_RNA) where: Base-Base interactions energy: -1773.743 where: short stacking energy: -770.676 Base-Backbone interact. energy: -0.098 local terms energy: -809.923382 where: bonds (distance) C4'-P energy: -160.405 bonds (distance) P-C4' energy: -144.997 flat angles C4'-P-C4' energy: -181.668 flat angles P-C4'-P energy: -111.955 tors. eta vs tors. theta energy: -210.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2343.464968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.464968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.464968 (E_RNA) where: Base-Base interactions energy: -1637.066 where: short stacking energy: -710.566 Base-Backbone interact. energy: 0.712 local terms energy: -707.111004 where: bonds (distance) C4'-P energy: -127.272 bonds (distance) P-C4' energy: -135.621 flat angles C4'-P-C4' energy: -165.359 flat angles P-C4'-P energy: -98.835 tors. eta vs tors. theta energy: -180.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -2010.934390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.934390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.934390 (E_RNA) where: Base-Base interactions energy: -1315.985 where: short stacking energy: -552.266 Base-Backbone interact. energy: -2.508 local terms energy: -692.441440 where: bonds (distance) C4'-P energy: -139.892 bonds (distance) P-C4' energy: -157.031 flat angles C4'-P-C4' energy: -164.367 flat angles P-C4'-P energy: -95.840 tors. eta vs tors. theta energy: -135.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1496.053982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.053982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.053982 (E_RNA) where: Base-Base interactions energy: -942.237 where: short stacking energy: -406.880 Base-Backbone interact. energy: -1.122 local terms energy: -552.695139 where: bonds (distance) C4'-P energy: -109.584 bonds (distance) P-C4' energy: -139.791 flat angles C4'-P-C4' energy: -129.064 flat angles P-C4'-P energy: -114.384 tors. eta vs tors. theta energy: -59.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1176.233835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.233835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.233835 (E_RNA) where: Base-Base interactions energy: -676.971 where: short stacking energy: -339.023 Base-Backbone interact. energy: -0.838 local terms energy: -498.424796 where: bonds (distance) C4'-P energy: -129.848 bonds (distance) P-C4' energy: -162.975 flat angles C4'-P-C4' energy: -117.267 flat angles P-C4'-P energy: -79.721 tors. eta vs tors. theta energy: -8.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3121.353683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.353683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.353683 (E_RNA) where: Base-Base interactions energy: -2193.833 where: short stacking energy: -925.994 Base-Backbone interact. energy: -5.042 local terms energy: -922.479250 where: bonds (distance) C4'-P energy: -153.368 bonds (distance) P-C4' energy: -163.112 flat angles C4'-P-C4' energy: -203.637 flat angles P-C4'-P energy: -141.399 tors. eta vs tors. theta energy: -260.963 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: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -3001.041421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.041421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.041421 (E_RNA) where: Base-Base interactions energy: -2103.146 where: short stacking energy: -947.624 Base-Backbone interact. energy: -4.044 local terms energy: -893.851783 where: bonds (distance) C4'-P energy: -148.230 bonds (distance) P-C4' energy: -162.397 flat angles C4'-P-C4' energy: -196.626 flat angles P-C4'-P energy: -122.682 tors. eta vs tors. theta energy: -263.917 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: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2856.608706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.608706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.608706 (E_RNA) where: Base-Base interactions energy: -2007.903 where: short stacking energy: -877.149 Base-Backbone interact. energy: -0.147 local terms energy: -848.559579 where: bonds (distance) C4'-P energy: -134.909 bonds (distance) P-C4' energy: -160.060 flat angles C4'-P-C4' energy: -186.404 flat angles P-C4'-P energy: -117.172 tors. eta vs tors. theta energy: -250.015 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: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2750.943057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.943057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.943057 (E_RNA) where: Base-Base interactions energy: -1924.442 where: short stacking energy: -860.528 Base-Backbone interact. energy: -2.546 local terms energy: -823.955221 where: bonds (distance) C4'-P energy: -133.698 bonds (distance) P-C4' energy: -153.053 flat angles C4'-P-C4' energy: -181.952 flat angles P-C4'-P energy: -112.267 tors. eta vs tors. theta energy: -242.985 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: 2 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2738.279111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.279111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.279111 (E_RNA) where: Base-Base interactions energy: -1890.300 where: short stacking energy: -836.115 Base-Backbone interact. energy: 1.929 local terms energy: -849.907848 where: bonds (distance) C4'-P energy: -155.608 bonds (distance) P-C4' energy: -144.899 flat angles C4'-P-C4' energy: -187.469 flat angles P-C4'-P energy: -116.274 tors. eta vs tors. theta energy: -245.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2560.965206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.965206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.965206 (E_RNA) where: Base-Base interactions energy: -1784.593 where: short stacking energy: -776.669 Base-Backbone interact. energy: -3.239 local terms energy: -773.133237 where: bonds (distance) C4'-P energy: -151.010 bonds (distance) P-C4' energy: -132.422 flat angles C4'-P-C4' energy: -167.882 flat angles P-C4'-P energy: -109.486 tors. eta vs tors. theta energy: -212.333 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: 7 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2330.940224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.940224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.940224 (E_RNA) where: Base-Base interactions energy: -1618.588 where: short stacking energy: -719.056 Base-Backbone interact. energy: -3.667 local terms energy: -708.684976 where: bonds (distance) C4'-P energy: -120.657 bonds (distance) P-C4' energy: -133.936 flat angles C4'-P-C4' energy: -158.773 flat angles P-C4'-P energy: -107.567 tors. eta vs tors. theta energy: -187.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1978.876844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.876844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.876844 (E_RNA) where: Base-Base interactions energy: -1355.534 where: short stacking energy: -602.322 Base-Backbone interact. energy: -4.198 local terms energy: -619.145084 where: bonds (distance) C4'-P energy: -132.799 bonds (distance) P-C4' energy: -117.501 flat angles C4'-P-C4' energy: -135.526 flat angles P-C4'-P energy: -95.838 tors. eta vs tors. theta energy: -137.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1506.259496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.259496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.259496 (E_RNA) where: Base-Base interactions energy: -964.280 where: short stacking energy: -444.469 Base-Backbone interact. energy: -2.507 local terms energy: -539.471932 where: bonds (distance) C4'-P energy: -126.942 bonds (distance) P-C4' energy: -138.410 flat angles C4'-P-C4' energy: -138.048 flat angles P-C4'-P energy: -78.992 tors. eta vs tors. theta energy: -57.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1208.220408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.220408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.220408 (E_RNA) where: Base-Base interactions energy: -694.395 where: short stacking energy: -351.969 Base-Backbone interact. energy: -0.218 local terms energy: -513.607771 where: bonds (distance) C4'-P energy: -116.394 bonds (distance) P-C4' energy: -144.297 flat angles C4'-P-C4' energy: -121.973 flat angles P-C4'-P energy: -94.094 tors. eta vs tors. theta energy: -36.849 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: 292 Temperature: 0.900000 Total energy: -3099.702434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.702434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.702434 (E_RNA) where: Base-Base interactions energy: -2181.955 where: short stacking energy: -928.968 Base-Backbone interact. energy: -4.628 local terms energy: -913.119464 where: bonds (distance) C4'-P energy: -154.751 bonds (distance) P-C4' energy: -167.173 flat angles C4'-P-C4' energy: -188.523 flat angles P-C4'-P energy: -132.013 tors. eta vs tors. theta energy: -270.660 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: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -3020.340713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.340713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.340713 (E_RNA) where: Base-Base interactions energy: -2103.711 where: short stacking energy: -931.863 Base-Backbone interact. energy: -4.192 local terms energy: -912.437205 where: bonds (distance) C4'-P energy: -153.302 bonds (distance) P-C4' energy: -160.278 flat angles C4'-P-C4' energy: -187.443 flat angles P-C4'-P energy: -132.483 tors. eta vs tors. theta energy: -278.932 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: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2867.505437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.505437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.505437 (E_RNA) where: Base-Base interactions energy: -2001.811 where: short stacking energy: -853.747 Base-Backbone interact. energy: -4.877 local terms energy: -860.816779 where: bonds (distance) C4'-P energy: -152.274 bonds (distance) P-C4' energy: -153.537 flat angles C4'-P-C4' energy: -195.365 flat angles P-C4'-P energy: -115.941 tors. eta vs tors. theta energy: -243.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2779.055864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.055864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.055864 (E_RNA) where: Base-Base interactions energy: -1916.976 where: short stacking energy: -861.697 Base-Backbone interact. energy: -0.176 local terms energy: -861.903733 where: bonds (distance) C4'-P energy: -148.191 bonds (distance) P-C4' energy: -148.428 flat angles C4'-P-C4' energy: -182.346 flat angles P-C4'-P energy: -124.826 tors. eta vs tors. theta energy: -258.113 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: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2714.860279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.860279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.860279 (E_RNA) where: Base-Base interactions energy: -1858.612 where: short stacking energy: -828.761 Base-Backbone interact. energy: -2.587 local terms energy: -853.660669 where: bonds (distance) C4'-P energy: -146.218 bonds (distance) P-C4' energy: -155.750 flat angles C4'-P-C4' energy: -179.371 flat angles P-C4'-P energy: -114.119 tors. eta vs tors. theta energy: -258.204 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: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2572.574647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.574647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.574647 (E_RNA) where: Base-Base interactions energy: -1782.229 where: short stacking energy: -777.211 Base-Backbone interact. energy: -2.048 local terms energy: -788.297548 where: bonds (distance) C4'-P energy: -133.882 bonds (distance) P-C4' energy: -144.583 flat angles C4'-P-C4' energy: -176.703 flat angles P-C4'-P energy: -104.285 tors. eta vs tors. theta energy: -228.844 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: 7 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2358.859083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.859083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.859083 (E_RNA) where: Base-Base interactions energy: -1595.125 where: short stacking energy: -689.797 Base-Backbone interact. energy: 0.090 local terms energy: -763.823688 where: bonds (distance) C4'-P energy: -148.312 bonds (distance) P-C4' energy: -150.172 flat angles C4'-P-C4' energy: -169.580 flat angles P-C4'-P energy: -113.631 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: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1965.139352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.139352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.139352 (E_RNA) where: Base-Base interactions energy: -1297.603 where: short stacking energy: -630.028 Base-Backbone interact. energy: -2.231 local terms energy: -665.305125 where: bonds (distance) C4'-P energy: -131.069 bonds (distance) P-C4' energy: -153.524 flat angles C4'-P-C4' energy: -139.647 flat angles P-C4'-P energy: -90.447 tors. eta vs tors. theta energy: -150.618 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: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1527.564199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.564199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.564199 (E_RNA) where: Base-Base interactions energy: -984.142 where: short stacking energy: -468.466 Base-Backbone interact. energy: -0.211 local terms energy: -543.210845 where: bonds (distance) C4'-P energy: -104.220 bonds (distance) P-C4' energy: -129.701 flat angles C4'-P-C4' energy: -123.153 flat angles P-C4'-P energy: -106.762 tors. eta vs tors. theta energy: -79.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1155.141781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.141781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.141781 (E_RNA) where: Base-Base interactions energy: -697.887 where: short stacking energy: -360.945 Base-Backbone interact. energy: 0.683 local terms energy: -457.937358 where: bonds (distance) C4'-P energy: -129.654 bonds (distance) P-C4' energy: -131.336 flat angles C4'-P-C4' energy: -106.410 flat angles P-C4'-P energy: -59.211 tors. eta vs tors. theta energy: -31.325 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: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3095.468882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.468882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.468882 (E_RNA) where: Base-Base interactions energy: -2162.580 where: short stacking energy: -900.497 Base-Backbone interact. energy: -5.009 local terms energy: -927.879895 where: bonds (distance) C4'-P energy: -171.262 bonds (distance) P-C4' energy: -166.025 flat angles C4'-P-C4' energy: -180.448 flat angles P-C4'-P energy: -139.370 tors. eta vs tors. theta energy: -270.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -3020.291371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.291371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.291371 (E_RNA) where: Base-Base interactions energy: -2093.981 where: short stacking energy: -916.102 Base-Backbone interact. energy: -3.405 local terms energy: -922.905348 where: bonds (distance) C4'-P energy: -164.699 bonds (distance) P-C4' energy: -145.941 flat angles C4'-P-C4' energy: -191.532 flat angles P-C4'-P energy: -146.658 tors. eta vs tors. theta energy: -274.075 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: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2872.661225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.661225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.661225 (E_RNA) where: Base-Base interactions energy: -2018.822 where: short stacking energy: -864.761 Base-Backbone interact. energy: -4.446 local terms energy: -849.392910 where: bonds (distance) C4'-P energy: -144.363 bonds (distance) P-C4' energy: -152.100 flat angles C4'-P-C4' energy: -179.582 flat angles P-C4'-P energy: -115.357 tors. eta vs tors. theta energy: -257.991 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: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2827.343811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.343811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.343811 (E_RNA) where: Base-Base interactions energy: -1954.947 where: short stacking energy: -861.949 Base-Backbone interact. energy: -1.637 local terms energy: -870.760247 where: bonds (distance) C4'-P energy: -151.384 bonds (distance) P-C4' energy: -163.288 flat angles C4'-P-C4' energy: -182.402 flat angles P-C4'-P energy: -128.740 tors. eta vs tors. theta energy: -244.946 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: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2763.646448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.646448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.646448 (E_RNA) where: Base-Base interactions energy: -1869.456 where: short stacking energy: -829.929 Base-Backbone interact. energy: 0.087 local terms energy: -894.277336 where: bonds (distance) C4'-P energy: -149.289 bonds (distance) P-C4' energy: -161.371 flat angles C4'-P-C4' energy: -197.943 flat angles P-C4'-P energy: -116.798 tors. eta vs tors. theta energy: -268.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2588.333326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.333326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.333326 (E_RNA) where: Base-Base interactions energy: -1798.954 where: short stacking energy: -797.499 Base-Backbone interact. energy: -2.468 local terms energy: -786.911195 where: bonds (distance) C4'-P energy: -133.331 bonds (distance) P-C4' energy: -143.207 flat angles C4'-P-C4' energy: -157.643 flat angles P-C4'-P energy: -126.231 tors. eta vs tors. theta energy: -226.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2332.173161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.173161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.173161 (E_RNA) where: Base-Base interactions energy: -1621.555 where: short stacking energy: -719.016 Base-Backbone interact. energy: -1.299 local terms energy: -709.319594 where: bonds (distance) C4'-P energy: -130.182 bonds (distance) P-C4' energy: -136.964 flat angles C4'-P-C4' energy: -157.178 flat angles P-C4'-P energy: -90.121 tors. eta vs tors. theta energy: -194.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1861.582121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.582121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.582121 (E_RNA) where: Base-Base interactions energy: -1256.700 where: short stacking energy: -585.550 Base-Backbone interact. energy: 1.379 local terms energy: -606.261079 where: bonds (distance) C4'-P energy: -140.690 bonds (distance) P-C4' energy: -118.116 flat angles C4'-P-C4' energy: -144.169 flat angles P-C4'-P energy: -77.825 tors. eta vs tors. theta energy: -125.460 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: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1488.714882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.714882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.714882 (E_RNA) where: Base-Base interactions energy: -947.420 where: short stacking energy: -421.538 Base-Backbone interact. energy: -1.657 local terms energy: -539.637468 where: bonds (distance) C4'-P energy: -142.585 bonds (distance) P-C4' energy: -141.900 flat angles C4'-P-C4' energy: -118.650 flat angles P-C4'-P energy: -73.016 tors. eta vs tors. theta energy: -63.486 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: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1176.742195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.742195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.742195 (E_RNA) where: Base-Base interactions energy: -693.984 where: short stacking energy: -337.784 Base-Backbone interact. energy: 1.022 local terms energy: -483.780391 where: bonds (distance) C4'-P energy: -127.880 bonds (distance) P-C4' energy: -132.186 flat angles C4'-P-C4' energy: -110.838 flat angles P-C4'-P energy: -84.897 tors. eta vs tors. theta energy: -27.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3094.859861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.859861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.859861 (E_RNA) where: Base-Base interactions energy: -2170.903 where: short stacking energy: -939.000 Base-Backbone interact. energy: -3.074 local terms energy: -920.883244 where: bonds (distance) C4'-P energy: -161.278 bonds (distance) P-C4' energy: -168.490 flat angles C4'-P-C4' energy: -206.194 flat angles P-C4'-P energy: -120.095 tors. eta vs tors. theta energy: -264.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2991.909505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.909505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.909505 (E_RNA) where: Base-Base interactions energy: -2054.310 where: short stacking energy: -922.796 Base-Backbone interact. energy: -3.909 local terms energy: -933.690318 where: bonds (distance) C4'-P energy: -172.250 bonds (distance) P-C4' energy: -168.746 flat angles C4'-P-C4' energy: -197.112 flat angles P-C4'-P energy: -125.962 tors. eta vs tors. theta energy: -269.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2855.051297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.051297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.051297 (E_RNA) where: Base-Base interactions energy: -1988.123 where: short stacking energy: -846.741 Base-Backbone interact. energy: -3.086 local terms energy: -863.842212 where: bonds (distance) C4'-P energy: -156.176 bonds (distance) P-C4' energy: -164.626 flat angles C4'-P-C4' energy: -183.913 flat angles P-C4'-P energy: -109.483 tors. eta vs tors. theta energy: -249.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2803.397711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.397711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.397711 (E_RNA) where: Base-Base interactions energy: -1996.054 where: short stacking energy: -886.000 Base-Backbone interact. energy: 2.305 local terms energy: -809.648846 where: bonds (distance) C4'-P energy: -138.288 bonds (distance) P-C4' energy: -135.217 flat angles C4'-P-C4' energy: -176.859 flat angles P-C4'-P energy: -106.002 tors. eta vs tors. theta energy: -253.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2720.486707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.486707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.486707 (E_RNA) where: Base-Base interactions energy: -1872.884 where: short stacking energy: -835.047 Base-Backbone interact. energy: 1.677 local terms energy: -849.279499 where: bonds (distance) C4'-P energy: -127.523 bonds (distance) P-C4' energy: -165.083 flat angles C4'-P-C4' energy: -172.440 flat angles P-C4'-P energy: -121.823 tors. eta vs tors. theta energy: -262.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2630.712794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.712794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.712794 (E_RNA) where: Base-Base interactions energy: -1844.389 where: short stacking energy: -793.895 Base-Backbone interact. energy: -3.606 local terms energy: -782.717794 where: bonds (distance) C4'-P energy: -141.505 bonds (distance) P-C4' energy: -141.595 flat angles C4'-P-C4' energy: -156.309 flat angles P-C4'-P energy: -119.915 tors. eta vs tors. theta energy: -223.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2343.002602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.002602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.002602 (E_RNA) where: Base-Base interactions energy: -1598.285 where: short stacking energy: -718.595 Base-Backbone interact. energy: 3.935 local terms energy: -748.652045 where: bonds (distance) C4'-P energy: -139.342 bonds (distance) P-C4' energy: -139.446 flat angles C4'-P-C4' energy: -178.134 flat angles P-C4'-P energy: -102.739 tors. eta vs tors. theta energy: -188.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1948.322765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.322765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.322765 (E_RNA) where: Base-Base interactions energy: -1309.227 where: short stacking energy: -622.964 Base-Backbone interact. energy: 0.803 local terms energy: -639.898741 where: bonds (distance) C4'-P energy: -129.870 bonds (distance) P-C4' energy: -123.936 flat angles C4'-P-C4' energy: -148.485 flat angles P-C4'-P energy: -78.897 tors. eta vs tors. theta energy: -158.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1489.714295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.714295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.714295 (E_RNA) where: Base-Base interactions energy: -958.375 where: short stacking energy: -433.778 Base-Backbone interact. energy: 6.659 local terms energy: -537.998274 where: bonds (distance) C4'-P energy: -118.858 bonds (distance) P-C4' energy: -134.371 flat angles C4'-P-C4' energy: -132.936 flat angles P-C4'-P energy: -78.421 tors. eta vs tors. theta energy: -73.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1265.194720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.194720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.194720 (E_RNA) where: Base-Base interactions energy: -809.386 where: short stacking energy: -387.777 Base-Backbone interact. energy: -2.426 local terms energy: -453.383035 where: bonds (distance) C4'-P energy: -91.203 bonds (distance) P-C4' energy: -111.765 flat angles C4'-P-C4' energy: -145.877 flat angles P-C4'-P energy: -59.133 tors. eta vs tors. theta energy: -45.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3106.690126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.690126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.690126 (E_RNA) where: Base-Base interactions energy: -2186.900 where: short stacking energy: -916.939 Base-Backbone interact. energy: -1.289 local terms energy: -918.500806 where: bonds (distance) C4'-P energy: -165.083 bonds (distance) P-C4' energy: -161.697 flat angles C4'-P-C4' energy: -201.164 flat angles P-C4'-P energy: -129.908 tors. eta vs tors. theta energy: -260.648 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: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2978.415554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.415554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.415554 (E_RNA) where: Base-Base interactions energy: -2084.065 where: short stacking energy: -887.919 Base-Backbone interact. energy: -0.609 local terms energy: -893.741439 where: bonds (distance) C4'-P energy: -163.696 bonds (distance) P-C4' energy: -162.620 flat angles C4'-P-C4' energy: -184.339 flat angles P-C4'-P energy: -123.778 tors. eta vs tors. theta energy: -259.309 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: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2877.550888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.550888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.550888 (E_RNA) where: Base-Base interactions energy: -1995.927 where: short stacking energy: -861.033 Base-Backbone interact. energy: -5.862 local terms energy: -875.761129 where: bonds (distance) C4'-P energy: -153.982 bonds (distance) P-C4' energy: -161.467 flat angles C4'-P-C4' energy: -167.050 flat angles P-C4'-P energy: -140.111 tors. eta vs tors. theta energy: -253.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2780.238498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.238498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.238498 (E_RNA) where: Base-Base interactions energy: -1934.960 where: short stacking energy: -856.813 Base-Backbone interact. energy: -3.260 local terms energy: -842.018392 where: bonds (distance) C4'-P energy: -124.126 bonds (distance) P-C4' energy: -165.336 flat angles C4'-P-C4' energy: -182.253 flat angles P-C4'-P energy: -112.557 tors. eta vs tors. theta energy: -257.747 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: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2725.949032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.949032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.949032 (E_RNA) where: Base-Base interactions energy: -1906.685 where: short stacking energy: -846.526 Base-Backbone interact. energy: 6.068 local terms energy: -825.331584 where: bonds (distance) C4'-P energy: -149.655 bonds (distance) P-C4' energy: -153.550 flat angles C4'-P-C4' energy: -166.802 flat angles P-C4'-P energy: -106.495 tors. eta vs tors. theta energy: -248.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2580.917905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.917905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.917905 (E_RNA) where: Base-Base interactions energy: -1796.458 where: short stacking energy: -779.806 Base-Backbone interact. energy: -0.289 local terms energy: -784.171562 where: bonds (distance) C4'-P energy: -148.531 bonds (distance) P-C4' energy: -141.851 flat angles C4'-P-C4' energy: -161.211 flat angles P-C4'-P energy: -101.755 tors. eta vs tors. theta energy: -230.823 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: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2344.189840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.189840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.189840 (E_RNA) where: Base-Base interactions energy: -1579.768 where: short stacking energy: -729.251 Base-Backbone interact. energy: -5.028 local terms energy: -759.393823 where: bonds (distance) C4'-P energy: -144.122 bonds (distance) P-C4' energy: -154.399 flat angles C4'-P-C4' energy: -169.668 flat angles P-C4'-P energy: -86.841 tors. eta vs tors. theta energy: -204.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1834.755636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.755636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.755636 (E_RNA) where: Base-Base interactions energy: -1215.438 where: short stacking energy: -550.491 Base-Backbone interact. energy: -1.725 local terms energy: -617.592470 where: bonds (distance) C4'-P energy: -135.875 bonds (distance) P-C4' energy: -145.899 flat angles C4'-P-C4' energy: -131.297 flat angles P-C4'-P energy: -74.855 tors. eta vs tors. theta energy: -129.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1457.181572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.181572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.181572 (E_RNA) where: Base-Base interactions energy: -943.407 where: short stacking energy: -403.799 Base-Backbone interact. energy: -2.387 local terms energy: -511.387308 where: bonds (distance) C4'-P energy: -123.008 bonds (distance) P-C4' energy: -161.118 flat angles C4'-P-C4' energy: -104.025 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -42.511 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: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1221.232864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.232864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.232864 (E_RNA) where: Base-Base interactions energy: -722.758 where: short stacking energy: -343.778 Base-Backbone interact. energy: 0.591 local terms energy: -499.066110 where: bonds (distance) C4'-P energy: -130.745 bonds (distance) P-C4' energy: -147.738 flat angles C4'-P-C4' energy: -118.995 flat angles P-C4'-P energy: -80.961 tors. eta vs tors. theta energy: -20.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3096.559141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.559141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.559141 (E_RNA) where: Base-Base interactions energy: -2176.404 where: short stacking energy: -918.181 Base-Backbone interact. energy: -4.372 local terms energy: -915.782372 where: bonds (distance) C4'-P energy: -145.103 bonds (distance) P-C4' energy: -159.875 flat angles C4'-P-C4' energy: -194.897 flat angles P-C4'-P energy: -142.702 tors. eta vs tors. theta energy: -273.206 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: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -3023.454414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.454414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.454414 (E_RNA) where: Base-Base interactions energy: -2103.348 where: short stacking energy: -934.694 Base-Backbone interact. energy: -1.387 local terms energy: -918.719311 where: bonds (distance) C4'-P energy: -148.494 bonds (distance) P-C4' energy: -161.522 flat angles C4'-P-C4' energy: -196.371 flat angles P-C4'-P energy: -136.024 tors. eta vs tors. theta energy: -276.308 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: 4 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2909.798034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.798034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.798034 (E_RNA) where: Base-Base interactions energy: -2040.672 where: short stacking energy: -872.312 Base-Backbone interact. energy: -6.373 local terms energy: -862.752992 where: bonds (distance) C4'-P energy: -154.123 bonds (distance) P-C4' energy: -154.079 flat angles C4'-P-C4' energy: -186.367 flat angles P-C4'-P energy: -114.460 tors. eta vs tors. theta energy: -253.724 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: 4, replica: 2 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2844.287312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.287312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.287312 (E_RNA) where: Base-Base interactions energy: -1966.787 where: short stacking energy: -878.396 Base-Backbone interact. energy: -1.969 local terms energy: -875.531088 where: bonds (distance) C4'-P energy: -165.036 bonds (distance) P-C4' energy: -148.035 flat angles C4'-P-C4' energy: -168.160 flat angles P-C4'-P energy: -130.820 tors. eta vs tors. theta energy: -263.480 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: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2695.139358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.139358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.139358 (E_RNA) where: Base-Base interactions energy: -1871.574 where: short stacking energy: -833.889 Base-Backbone interact. energy: -4.758 local terms energy: -818.806951 where: bonds (distance) C4'-P energy: -125.877 bonds (distance) P-C4' energy: -148.709 flat angles C4'-P-C4' energy: -179.965 flat angles P-C4'-P energy: -115.323 tors. eta vs tors. theta energy: -248.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2544.187060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.187060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.187060 (E_RNA) where: Base-Base interactions energy: -1753.582 where: short stacking energy: -774.851 Base-Backbone interact. energy: -2.764 local terms energy: -787.840822 where: bonds (distance) C4'-P energy: -134.663 bonds (distance) P-C4' energy: -162.998 flat angles C4'-P-C4' energy: -155.937 flat angles P-C4'-P energy: -111.584 tors. eta vs tors. theta energy: -222.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2315.068338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.068338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.068338 (E_RNA) where: Base-Base interactions energy: -1579.485 where: short stacking energy: -683.680 Base-Backbone interact. energy: -1.360 local terms energy: -734.223571 where: bonds (distance) C4'-P energy: -135.112 bonds (distance) P-C4' energy: -144.110 flat angles C4'-P-C4' energy: -157.647 flat angles P-C4'-P energy: -116.802 tors. eta vs tors. theta energy: -180.553 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: 8, replica: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1893.015811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.015811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.015811 (E_RNA) where: Base-Base interactions energy: -1244.262 where: short stacking energy: -573.918 Base-Backbone interact. energy: 1.277 local terms energy: -650.030562 where: bonds (distance) C4'-P energy: -129.813 bonds (distance) P-C4' energy: -151.608 flat angles C4'-P-C4' energy: -150.862 flat angles P-C4'-P energy: -89.649 tors. eta vs tors. theta energy: -128.099 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: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1472.036014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.036014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.036014 (E_RNA) where: Base-Base interactions energy: -973.878 where: short stacking energy: -470.253 Base-Backbone interact. energy: 2.110 local terms energy: -500.267956 where: bonds (distance) C4'-P energy: -117.357 bonds (distance) P-C4' energy: -128.369 flat angles C4'-P-C4' energy: -120.399 flat angles P-C4'-P energy: -75.643 tors. eta vs tors. theta energy: -58.499 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: 9 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1189.446548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.446548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.446548 (E_RNA) where: Base-Base interactions energy: -698.735 where: short stacking energy: -347.431 Base-Backbone interact. energy: 4.927 local terms energy: -495.638854 where: bonds (distance) C4'-P energy: -127.889 bonds (distance) P-C4' energy: -143.369 flat angles C4'-P-C4' energy: -104.736 flat angles P-C4'-P energy: -76.608 tors. eta vs tors. theta energy: -43.037 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: 3 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3107.606656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.606656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.606656 (E_RNA) where: Base-Base interactions energy: -2172.061 where: short stacking energy: -943.571 Base-Backbone interact. energy: -1.438 local terms energy: -934.107493 where: bonds (distance) C4'-P energy: -159.508 bonds (distance) P-C4' energy: -170.275 flat angles C4'-P-C4' energy: -198.950 flat angles P-C4'-P energy: -139.424 tors. eta vs tors. theta energy: -265.951 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: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -3005.753680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.753680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.753680 (E_RNA) where: Base-Base interactions energy: -2072.917 where: short stacking energy: -901.999 Base-Backbone interact. energy: -4.123 local terms energy: -928.713250 where: bonds (distance) C4'-P energy: -163.722 bonds (distance) P-C4' energy: -164.759 flat angles C4'-P-C4' energy: -202.610 flat angles P-C4'-P energy: -130.506 tors. eta vs tors. theta energy: -267.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2878.736359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.736359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.736359 (E_RNA) where: Base-Base interactions energy: -2006.308 where: short stacking energy: -878.150 Base-Backbone interact. energy: -2.823 local terms energy: -869.605667 where: bonds (distance) C4'-P energy: -159.352 bonds (distance) P-C4' energy: -149.601 flat angles C4'-P-C4' energy: -170.381 flat angles P-C4'-P energy: -139.098 tors. eta vs tors. theta energy: -251.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2820.680075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.680075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.680075 (E_RNA) where: Base-Base interactions energy: -1928.728 where: short stacking energy: -852.263 Base-Backbone interact. energy: -2.089 local terms energy: -889.863573 where: bonds (distance) C4'-P energy: -150.777 bonds (distance) P-C4' energy: -157.859 flat angles C4'-P-C4' energy: -190.772 flat angles P-C4'-P energy: -126.488 tors. eta vs tors. theta energy: -263.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2627.786937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.786937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.786937 (E_RNA) where: Base-Base interactions energy: -1821.503 where: short stacking energy: -791.618 Base-Backbone interact. energy: -0.852 local terms energy: -805.431377 where: bonds (distance) C4'-P energy: -146.598 bonds (distance) P-C4' energy: -142.855 flat angles C4'-P-C4' energy: -177.418 flat angles P-C4'-P energy: -113.854 tors. eta vs tors. theta energy: -224.707 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: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2482.147127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.147127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.147127 (E_RNA) where: Base-Base interactions energy: -1670.068 where: short stacking energy: -743.170 Base-Backbone interact. energy: -1.688 local terms energy: -810.391502 where: bonds (distance) C4'-P energy: -152.349 bonds (distance) P-C4' energy: -151.029 flat angles C4'-P-C4' energy: -181.272 flat angles P-C4'-P energy: -111.623 tors. eta vs tors. theta energy: -214.119 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: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2303.489397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.489397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.489397 (E_RNA) where: Base-Base interactions energy: -1589.194 where: short stacking energy: -671.920 Base-Backbone interact. energy: -1.430 local terms energy: -712.865547 where: bonds (distance) C4'-P energy: -118.671 bonds (distance) P-C4' energy: -141.345 flat angles C4'-P-C4' energy: -163.765 flat angles P-C4'-P energy: -105.679 tors. eta vs tors. theta energy: -183.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1836.998797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.998797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.998797 (E_RNA) where: Base-Base interactions energy: -1193.827 where: short stacking energy: -546.416 Base-Backbone interact. energy: 4.162 local terms energy: -647.333450 where: bonds (distance) C4'-P energy: -120.331 bonds (distance) P-C4' energy: -138.454 flat angles C4'-P-C4' energy: -162.398 flat angles P-C4'-P energy: -103.776 tors. eta vs tors. theta energy: -122.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1442.583485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.583485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.583485 (E_RNA) where: Base-Base interactions energy: -889.491 where: short stacking energy: -397.866 Base-Backbone interact. energy: -1.443 local terms energy: -551.649790 where: bonds (distance) C4'-P energy: -132.854 bonds (distance) P-C4' energy: -141.543 flat angles C4'-P-C4' energy: -142.355 flat angles P-C4'-P energy: -73.995 tors. eta vs tors. theta energy: -60.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1216.762940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.762940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.762940 (E_RNA) where: Base-Base interactions energy: -735.569 where: short stacking energy: -372.397 Base-Backbone interact. energy: 0.803 local terms energy: -481.997524 where: bonds (distance) C4'-P energy: -125.088 bonds (distance) P-C4' energy: -123.040 flat angles C4'-P-C4' energy: -122.600 flat angles P-C4'-P energy: -69.315 tors. eta vs tors. theta energy: -41.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3138.370148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.370148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.370148 (E_RNA) where: Base-Base interactions energy: -2200.831 where: short stacking energy: -951.592 Base-Backbone interact. energy: -2.800 local terms energy: -934.739382 where: bonds (distance) C4'-P energy: -171.628 bonds (distance) P-C4' energy: -176.830 flat angles C4'-P-C4' energy: -188.507 flat angles P-C4'-P energy: -119.590 tors. eta vs tors. theta energy: -278.184 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: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -2981.959808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.959808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.959808 (E_RNA) where: Base-Base interactions energy: -2073.385 where: short stacking energy: -919.863 Base-Backbone interact. energy: -0.934 local terms energy: -907.641144 where: bonds (distance) C4'-P energy: -151.099 bonds (distance) P-C4' energy: -171.803 flat angles C4'-P-C4' energy: -199.576 flat angles P-C4'-P energy: -117.217 tors. eta vs tors. theta energy: -267.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2920.747807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.747807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.747807 (E_RNA) where: Base-Base interactions energy: -2056.632 where: short stacking energy: -868.472 Base-Backbone interact. energy: -5.751 local terms energy: -858.364834 where: bonds (distance) C4'-P energy: -136.648 bonds (distance) P-C4' energy: -144.308 flat angles C4'-P-C4' energy: -187.047 flat angles P-C4'-P energy: -131.419 tors. eta vs tors. theta energy: -258.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2809.910077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.910077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.910077 (E_RNA) where: Base-Base interactions energy: -1913.943 where: short stacking energy: -826.333 Base-Backbone interact. energy: -2.641 local terms energy: -893.326540 where: bonds (distance) C4'-P energy: -168.715 bonds (distance) P-C4' energy: -157.502 flat angles C4'-P-C4' energy: -183.591 flat angles P-C4'-P energy: -121.380 tors. eta vs tors. theta energy: -262.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2637.025412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.025412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.025412 (E_RNA) where: Base-Base interactions energy: -1818.813 where: short stacking energy: -794.018 Base-Backbone interact. energy: -2.506 local terms energy: -815.707044 where: bonds (distance) C4'-P energy: -131.486 bonds (distance) P-C4' energy: -160.131 flat angles C4'-P-C4' energy: -176.884 flat angles P-C4'-P energy: -122.052 tors. eta vs tors. theta energy: -225.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2468.197632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.197632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.197632 (E_RNA) where: Base-Base interactions energy: -1732.409 where: short stacking energy: -744.593 Base-Backbone interact. energy: -4.651 local terms energy: -731.137402 where: bonds (distance) C4'-P energy: -127.858 bonds (distance) P-C4' energy: -132.566 flat angles C4'-P-C4' energy: -168.671 flat angles P-C4'-P energy: -104.586 tors. eta vs tors. theta energy: -197.457 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: 7 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2276.789022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.789022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.789022 (E_RNA) where: Base-Base interactions energy: -1550.503 where: short stacking energy: -676.171 Base-Backbone interact. energy: -5.169 local terms energy: -721.117233 where: bonds (distance) C4'-P energy: -135.329 bonds (distance) P-C4' energy: -146.576 flat angles C4'-P-C4' energy: -169.691 flat angles P-C4'-P energy: -89.166 tors. eta vs tors. theta energy: -180.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1825.419866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.419866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.419866 (E_RNA) where: Base-Base interactions energy: -1211.613 where: short stacking energy: -586.424 Base-Backbone interact. energy: -4.348 local terms energy: -609.458114 where: bonds (distance) C4'-P energy: -109.899 bonds (distance) P-C4' energy: -123.583 flat angles C4'-P-C4' energy: -145.698 flat angles P-C4'-P energy: -105.419 tors. eta vs tors. theta energy: -124.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1435.922618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.922618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.922618 (E_RNA) where: Base-Base interactions energy: -895.820 where: short stacking energy: -429.222 Base-Backbone interact. energy: -4.852 local terms energy: -535.250162 where: bonds (distance) C4'-P energy: -136.087 bonds (distance) P-C4' energy: -133.061 flat angles C4'-P-C4' energy: -117.092 flat angles P-C4'-P energy: -89.542 tors. eta vs tors. theta energy: -59.468 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: 9 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1213.128943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.128943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.128943 (E_RNA) where: Base-Base interactions energy: -727.997 where: short stacking energy: -371.811 Base-Backbone interact. energy: 0.614 local terms energy: -485.745437 where: bonds (distance) C4'-P energy: -127.390 bonds (distance) P-C4' energy: -126.545 flat angles C4'-P-C4' energy: -120.498 flat angles P-C4'-P energy: -64.531 tors. eta vs tors. theta energy: -46.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3098.635619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.635619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.635619 (E_RNA) where: Base-Base interactions energy: -2187.754 where: short stacking energy: -942.720 Base-Backbone interact. energy: -2.880 local terms energy: -908.001101 where: bonds (distance) C4'-P energy: -160.781 bonds (distance) P-C4' energy: -152.665 flat angles C4'-P-C4' energy: -195.204 flat angles P-C4'-P energy: -135.995 tors. eta vs tors. theta energy: -263.357 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: 5 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2982.341696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.341696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.341696 (E_RNA) where: Base-Base interactions energy: -2080.896 where: short stacking energy: -914.590 Base-Backbone interact. energy: -0.967 local terms energy: -900.478262 where: bonds (distance) C4'-P energy: -168.634 bonds (distance) P-C4' energy: -158.038 flat angles C4'-P-C4' energy: -198.558 flat angles P-C4'-P energy: -114.332 tors. eta vs tors. theta energy: -260.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2901.378258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.378258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.378258 (E_RNA) where: Base-Base interactions energy: -2029.632 where: short stacking energy: -852.902 Base-Backbone interact. energy: -5.294 local terms energy: -866.452710 where: bonds (distance) C4'-P energy: -146.918 bonds (distance) P-C4' energy: -162.792 flat angles C4'-P-C4' energy: -191.246 flat angles P-C4'-P energy: -117.830 tors. eta vs tors. theta energy: -247.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2764.432339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.432339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.432339 (E_RNA) where: Base-Base interactions energy: -1909.222 where: short stacking energy: -871.218 Base-Backbone interact. energy: -2.067 local terms energy: -853.143596 where: bonds (distance) C4'-P energy: -154.764 bonds (distance) P-C4' energy: -138.150 flat angles C4'-P-C4' energy: -181.248 flat angles P-C4'-P energy: -109.980 tors. eta vs tors. theta energy: -269.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2653.868897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.868897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.868897 (E_RNA) where: Base-Base interactions energy: -1861.011 where: short stacking energy: -818.701 Base-Backbone interact. energy: 1.474 local terms energy: -794.332484 where: bonds (distance) C4'-P energy: -145.561 bonds (distance) P-C4' energy: -141.703 flat angles C4'-P-C4' energy: -182.126 flat angles P-C4'-P energy: -106.669 tors. eta vs tors. theta energy: -218.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2408.191961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.191961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.191961 (E_RNA) where: Base-Base interactions energy: -1674.481 where: short stacking energy: -707.912 Base-Backbone interact. energy: 0.764 local terms energy: -734.474580 where: bonds (distance) C4'-P energy: -155.681 bonds (distance) P-C4' energy: -147.790 flat angles C4'-P-C4' energy: -162.049 flat angles P-C4'-P energy: -82.995 tors. eta vs tors. theta energy: -185.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2279.672843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.672843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.672843 (E_RNA) where: Base-Base interactions energy: -1536.089 where: short stacking energy: -669.759 Base-Backbone interact. energy: -2.609 local terms energy: -740.975098 where: bonds (distance) C4'-P energy: -137.545 bonds (distance) P-C4' energy: -137.719 flat angles C4'-P-C4' energy: -159.152 flat angles P-C4'-P energy: -115.510 tors. eta vs tors. theta energy: -191.048 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: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1914.282568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.282568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.282568 (E_RNA) where: Base-Base interactions energy: -1262.234 where: short stacking energy: -596.170 Base-Backbone interact. energy: 1.037 local terms energy: -653.085978 where: bonds (distance) C4'-P energy: -133.888 bonds (distance) P-C4' energy: -136.617 flat angles C4'-P-C4' energy: -147.608 flat angles P-C4'-P energy: -98.936 tors. eta vs tors. theta energy: -136.037 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: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1504.927789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.927789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.927789 (E_RNA) where: Base-Base interactions energy: -965.387 where: short stacking energy: -429.347 Base-Backbone interact. energy: 1.801 local terms energy: -541.341864 where: bonds (distance) C4'-P energy: -107.988 bonds (distance) P-C4' energy: -139.278 flat angles C4'-P-C4' energy: -143.942 flat angles P-C4'-P energy: -88.801 tors. eta vs tors. theta energy: -61.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1189.414333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.414333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.414333 (E_RNA) where: Base-Base interactions energy: -696.178 where: short stacking energy: -358.074 Base-Backbone interact. energy: 1.909 local terms energy: -495.144980 where: bonds (distance) C4'-P energy: -129.712 bonds (distance) P-C4' energy: -135.840 flat angles C4'-P-C4' energy: -116.334 flat angles P-C4'-P energy: -75.334 tors. eta vs tors. theta energy: -37.925 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: 1, replica: 3 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3078.764502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.764502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.764502 (E_RNA) where: Base-Base interactions energy: -2172.426 where: short stacking energy: -933.736 Base-Backbone interact. energy: -5.046 local terms energy: -901.292077 where: bonds (distance) C4'-P energy: -154.831 bonds (distance) P-C4' energy: -170.644 flat angles C4'-P-C4' energy: -194.822 flat angles P-C4'-P energy: -122.714 tors. eta vs tors. theta energy: -258.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2980.283312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.283312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.283312 (E_RNA) where: Base-Base interactions energy: -2063.578 where: short stacking energy: -917.902 Base-Backbone interact. energy: -4.415 local terms energy: -912.290275 where: bonds (distance) C4'-P energy: -150.537 bonds (distance) P-C4' energy: -167.344 flat angles C4'-P-C4' energy: -193.075 flat angles P-C4'-P energy: -118.844 tors. eta vs tors. theta energy: -282.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2886.989304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.989304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.989304 (E_RNA) where: Base-Base interactions energy: -2005.628 where: short stacking energy: -887.892 Base-Backbone interact. energy: -1.375 local terms energy: -879.986511 where: bonds (distance) C4'-P energy: -150.402 bonds (distance) P-C4' energy: -163.237 flat angles C4'-P-C4' energy: -189.791 flat angles P-C4'-P energy: -128.795 tors. eta vs tors. theta energy: -247.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2806.470445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.470445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.470445 (E_RNA) where: Base-Base interactions energy: -1941.244 where: short stacking energy: -839.705 Base-Backbone interact. energy: -2.490 local terms energy: -862.736166 where: bonds (distance) C4'-P energy: -146.990 bonds (distance) P-C4' energy: -154.068 flat angles C4'-P-C4' energy: -173.387 flat angles P-C4'-P energy: -122.462 tors. eta vs tors. theta energy: -265.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2635.376369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.376369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.376369 (E_RNA) where: Base-Base interactions energy: -1811.146 where: short stacking energy: -785.712 Base-Backbone interact. energy: -2.370 local terms energy: -821.859829 where: bonds (distance) C4'-P energy: -144.814 bonds (distance) P-C4' energy: -150.151 flat angles C4'-P-C4' energy: -179.406 flat angles P-C4'-P energy: -113.405 tors. eta vs tors. theta energy: -234.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2385.841489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.841489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.841489 (E_RNA) where: Base-Base interactions energy: -1641.131 where: short stacking energy: -725.297 Base-Backbone interact. energy: -3.878 local terms energy: -740.832516 where: bonds (distance) C4'-P energy: -144.603 bonds (distance) P-C4' energy: -146.403 flat angles C4'-P-C4' energy: -169.590 flat angles P-C4'-P energy: -100.435 tors. eta vs tors. theta energy: -179.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2324.195243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.195243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.195243 (E_RNA) where: Base-Base interactions energy: -1614.675 where: short stacking energy: -726.630 Base-Backbone interact. energy: 8.853 local terms energy: -718.373862 where: bonds (distance) C4'-P energy: -121.431 bonds (distance) P-C4' energy: -137.499 flat angles C4'-P-C4' energy: -167.843 flat angles P-C4'-P energy: -108.179 tors. eta vs tors. theta energy: -183.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1887.864466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.864466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.864466 (E_RNA) where: Base-Base interactions energy: -1254.508 where: short stacking energy: -576.895 Base-Backbone interact. energy: -1.518 local terms energy: -631.838439 where: bonds (distance) C4'-P energy: -136.684 bonds (distance) P-C4' energy: -137.493 flat angles C4'-P-C4' energy: -141.179 flat angles P-C4'-P energy: -84.838 tors. eta vs tors. theta energy: -131.645 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: 9, replica: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1367.142177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.142177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.142177 (E_RNA) where: Base-Base interactions energy: -828.639 where: short stacking energy: -400.998 Base-Backbone interact. energy: 0.401 local terms energy: -538.904150 where: bonds (distance) C4'-P energy: -138.244 bonds (distance) P-C4' energy: -132.216 flat angles C4'-P-C4' energy: -134.461 flat angles P-C4'-P energy: -76.056 tors. eta vs tors. theta energy: -57.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1236.375353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.375353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.375353 (E_RNA) where: Base-Base interactions energy: -731.608 where: short stacking energy: -340.077 Base-Backbone interact. energy: -1.315 local terms energy: -503.451645 where: bonds (distance) C4'-P energy: -133.566 bonds (distance) P-C4' energy: -138.260 flat angles C4'-P-C4' energy: -126.661 flat angles P-C4'-P energy: -60.795 tors. eta vs tors. theta energy: -44.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3076.701600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.701600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.701600 (E_RNA) where: Base-Base interactions energy: -2189.340 where: short stacking energy: -922.335 Base-Backbone interact. energy: -5.487 local terms energy: -881.873811 where: bonds (distance) C4'-P energy: -160.841 bonds (distance) P-C4' energy: -162.118 flat angles C4'-P-C4' energy: -178.925 flat angles P-C4'-P energy: -126.840 tors. eta vs tors. theta energy: -253.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2989.827617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.827617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.827617 (E_RNA) where: Base-Base interactions energy: -2070.665 where: short stacking energy: -913.612 Base-Backbone interact. energy: -0.619 local terms energy: -918.543824 where: bonds (distance) C4'-P energy: -168.932 bonds (distance) P-C4' energy: -159.765 flat angles C4'-P-C4' energy: -192.400 flat angles P-C4'-P energy: -127.603 tors. eta vs tors. theta energy: -269.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2908.176000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.176000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.176000 (E_RNA) where: Base-Base interactions energy: -2032.222 where: short stacking energy: -851.242 Base-Backbone interact. energy: -0.659 local terms energy: -875.294567 where: bonds (distance) C4'-P energy: -161.366 bonds (distance) P-C4' energy: -170.291 flat angles C4'-P-C4' energy: -180.196 flat angles P-C4'-P energy: -110.029 tors. eta vs tors. theta energy: -253.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2807.964033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.964033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.964033 (E_RNA) where: Base-Base interactions energy: -1936.096 where: short stacking energy: -856.598 Base-Backbone interact. energy: -1.795 local terms energy: -870.072809 where: bonds (distance) C4'-P energy: -154.763 bonds (distance) P-C4' energy: -157.082 flat angles C4'-P-C4' energy: -188.893 flat angles P-C4'-P energy: -110.580 tors. eta vs tors. theta energy: -258.754 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: 8 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2604.253344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.253344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.253344 (E_RNA) where: Base-Base interactions energy: -1809.190 where: short stacking energy: -805.283 Base-Backbone interact. energy: -4.625 local terms energy: -790.438873 where: bonds (distance) C4'-P energy: -157.907 bonds (distance) P-C4' energy: -141.689 flat angles C4'-P-C4' energy: -166.305 flat angles P-C4'-P energy: -105.788 tors. eta vs tors. theta energy: -218.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2400.502260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.502260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.502260 (E_RNA) where: Base-Base interactions energy: -1642.350 where: short stacking energy: -727.896 Base-Backbone interact. energy: -4.454 local terms energy: -753.698600 where: bonds (distance) C4'-P energy: -132.998 bonds (distance) P-C4' energy: -141.677 flat angles C4'-P-C4' energy: -167.615 flat angles P-C4'-P energy: -108.401 tors. eta vs tors. theta energy: -203.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2287.453010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.453010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.453010 (E_RNA) where: Base-Base interactions energy: -1535.945 where: short stacking energy: -697.388 Base-Backbone interact. energy: -2.032 local terms energy: -749.475266 where: bonds (distance) C4'-P energy: -170.365 bonds (distance) P-C4' energy: -127.469 flat angles C4'-P-C4' energy: -144.580 flat angles P-C4'-P energy: -118.485 tors. eta vs tors. theta energy: -188.575 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: 8, replica: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1851.970136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.970136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.970136 (E_RNA) where: Base-Base interactions energy: -1214.089 where: short stacking energy: -556.735 Base-Backbone interact. energy: -0.174 local terms energy: -637.706607 where: bonds (distance) C4'-P energy: -124.101 bonds (distance) P-C4' energy: -149.749 flat angles C4'-P-C4' energy: -148.672 flat angles P-C4'-P energy: -98.845 tors. eta vs tors. theta energy: -116.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1346.479941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.479941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.479941 (E_RNA) where: Base-Base interactions energy: -820.336 where: short stacking energy: -366.501 Base-Backbone interact. energy: 9.727 local terms energy: -535.871417 where: bonds (distance) C4'-P energy: -130.281 bonds (distance) P-C4' energy: -124.080 flat angles C4'-P-C4' energy: -131.069 flat angles P-C4'-P energy: -103.086 tors. eta vs tors. theta energy: -47.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1196.053203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.053203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.053203 (E_RNA) where: Base-Base interactions energy: -699.951 where: short stacking energy: -328.654 Base-Backbone interact. energy: 1.137 local terms energy: -497.238772 where: bonds (distance) C4'-P energy: -122.934 bonds (distance) P-C4' energy: -144.746 flat angles C4'-P-C4' energy: -130.071 flat angles P-C4'-P energy: -83.555 tors. eta vs tors. theta energy: -15.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3098.378326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.378326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.378326 (E_RNA) where: Base-Base interactions energy: -2186.815 where: short stacking energy: -937.576 Base-Backbone interact. energy: -5.523 local terms energy: -906.040706 where: bonds (distance) C4'-P energy: -166.032 bonds (distance) P-C4' energy: -165.772 flat angles C4'-P-C4' energy: -181.192 flat angles P-C4'-P energy: -129.233 tors. eta vs tors. theta energy: -263.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2955.088137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.088137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.088137 (E_RNA) where: Base-Base interactions energy: -2054.323 where: short stacking energy: -899.101 Base-Backbone interact. energy: -6.965 local terms energy: -893.800372 where: bonds (distance) C4'-P energy: -168.443 bonds (distance) P-C4' energy: -143.816 flat angles C4'-P-C4' energy: -188.300 flat angles P-C4'-P energy: -126.402 tors. eta vs tors. theta energy: -266.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2854.733234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.733234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.733234 (E_RNA) where: Base-Base interactions energy: -2002.031 where: short stacking energy: -854.733 Base-Backbone interact. energy: -2.912 local terms energy: -849.790166 where: bonds (distance) C4'-P energy: -152.646 bonds (distance) P-C4' energy: -154.968 flat angles C4'-P-C4' energy: -172.526 flat angles P-C4'-P energy: -128.780 tors. eta vs tors. theta energy: -240.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2802.521730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.521730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.521730 (E_RNA) where: Base-Base interactions energy: -1917.345 where: short stacking energy: -866.068 Base-Backbone interact. energy: 5.066 local terms energy: -890.242739 where: bonds (distance) C4'-P energy: -152.992 bonds (distance) P-C4' energy: -160.140 flat angles C4'-P-C4' energy: -175.601 flat angles P-C4'-P energy: -141.369 tors. eta vs tors. theta energy: -260.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2581.314253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.314253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.314253 (E_RNA) where: Base-Base interactions energy: -1765.054 where: short stacking energy: -780.298 Base-Backbone interact. energy: -3.143 local terms energy: -813.118073 where: bonds (distance) C4'-P energy: -152.628 bonds (distance) P-C4' energy: -148.819 flat angles C4'-P-C4' energy: -174.055 flat angles P-C4'-P energy: -110.505 tors. eta vs tors. theta energy: -227.112 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: 302 Temperature: 1.150000 Total energy: -2425.233706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.233706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.233706 (E_RNA) where: Base-Base interactions energy: -1685.308 where: short stacking energy: -727.842 Base-Backbone interact. energy: 0.225 local terms energy: -740.150830 where: bonds (distance) C4'-P energy: -142.055 bonds (distance) P-C4' energy: -141.359 flat angles C4'-P-C4' energy: -169.279 flat angles P-C4'-P energy: -105.057 tors. eta vs tors. theta energy: -182.401 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: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2335.417949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.417949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.417949 (E_RNA) where: Base-Base interactions energy: -1581.764 where: short stacking energy: -684.452 Base-Backbone interact. energy: -0.127 local terms energy: -753.527344 where: bonds (distance) C4'-P energy: -131.581 bonds (distance) P-C4' energy: -165.857 flat angles C4'-P-C4' energy: -160.277 flat angles P-C4'-P energy: -103.408 tors. eta vs tors. theta energy: -192.404 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: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1886.284845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.284845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.284845 (E_RNA) where: Base-Base interactions energy: -1248.565 where: short stacking energy: -540.251 Base-Backbone interact. energy: -0.734 local terms energy: -636.985832 where: bonds (distance) C4'-P energy: -143.307 bonds (distance) P-C4' energy: -131.275 flat angles C4'-P-C4' energy: -162.453 flat angles P-C4'-P energy: -82.366 tors. eta vs tors. theta energy: -117.586 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: 9, replica: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1315.334982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.334982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.334982 (E_RNA) where: Base-Base interactions energy: -808.186 where: short stacking energy: -397.170 Base-Backbone interact. energy: -1.897 local terms energy: -505.251559 where: bonds (distance) C4'-P energy: -128.011 bonds (distance) P-C4' energy: -116.674 flat angles C4'-P-C4' energy: -127.450 flat angles P-C4'-P energy: -82.814 tors. eta vs tors. theta energy: -50.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1083.331536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.331536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.331536 (E_RNA) where: Base-Base interactions energy: -652.504 where: short stacking energy: -324.802 Base-Backbone interact. energy: 1.670 local terms energy: -432.497266 where: bonds (distance) C4'-P energy: -117.825 bonds (distance) P-C4' energy: -126.623 flat angles C4'-P-C4' energy: -108.471 flat angles P-C4'-P energy: -55.823 tors. eta vs tors. theta energy: -23.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3106.449147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.449147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.449147 (E_RNA) where: Base-Base interactions energy: -2162.183 where: short stacking energy: -915.305 Base-Backbone interact. energy: -7.492 local terms energy: -936.774253 where: bonds (distance) C4'-P energy: -158.463 bonds (distance) P-C4' energy: -171.557 flat angles C4'-P-C4' energy: -200.275 flat angles P-C4'-P energy: -136.743 tors. eta vs tors. theta energy: -269.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2983.128965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.128965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.128965 (E_RNA) where: Base-Base interactions energy: -2044.918 where: short stacking energy: -899.682 Base-Backbone interact. energy: -6.615 local terms energy: -931.595586 where: bonds (distance) C4'-P energy: -163.936 bonds (distance) P-C4' energy: -162.864 flat angles C4'-P-C4' energy: -205.814 flat angles P-C4'-P energy: -127.730 tors. eta vs tors. theta energy: -271.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2887.597581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.597581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.597581 (E_RNA) where: Base-Base interactions energy: -2025.585 where: short stacking energy: -839.573 Base-Backbone interact. energy: -1.444 local terms energy: -860.569274 where: bonds (distance) C4'-P energy: -155.015 bonds (distance) P-C4' energy: -163.440 flat angles C4'-P-C4' energy: -186.230 flat angles P-C4'-P energy: -121.093 tors. eta vs tors. theta energy: -234.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2787.584114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.584114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.584114 (E_RNA) where: Base-Base interactions energy: -1918.231 where: short stacking energy: -862.443 Base-Backbone interact. energy: -2.100 local terms energy: -867.252291 where: bonds (distance) C4'-P energy: -168.011 bonds (distance) P-C4' energy: -157.850 flat angles C4'-P-C4' energy: -168.495 flat angles P-C4'-P energy: -117.524 tors. eta vs tors. theta energy: -255.372 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: 8 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2644.694275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.694275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.694275 (E_RNA) where: Base-Base interactions energy: -1838.162 where: short stacking energy: -803.166 Base-Backbone interact. energy: -1.634 local terms energy: -804.898166 where: bonds (distance) C4'-P energy: -133.292 bonds (distance) P-C4' energy: -149.870 flat angles C4'-P-C4' energy: -182.096 flat angles P-C4'-P energy: -106.746 tors. eta vs tors. theta energy: -232.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2429.938642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.938642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.938642 (E_RNA) where: Base-Base interactions energy: -1651.965 where: short stacking energy: -713.132 Base-Backbone interact. energy: -2.181 local terms energy: -775.793219 where: bonds (distance) C4'-P energy: -141.565 bonds (distance) P-C4' energy: -156.050 flat angles C4'-P-C4' energy: -171.056 flat angles P-C4'-P energy: -100.491 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: 6 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2339.788072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.788072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.788072 (E_RNA) where: Base-Base interactions energy: -1607.977 where: short stacking energy: -702.969 Base-Backbone interact. energy: -2.260 local terms energy: -729.550966 where: bonds (distance) C4'-P energy: -123.732 bonds (distance) P-C4' energy: -145.175 flat angles C4'-P-C4' energy: -159.602 flat angles P-C4'-P energy: -103.812 tors. eta vs tors. theta energy: -197.230 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: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1925.690411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.690411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.690411 (E_RNA) where: Base-Base interactions energy: -1284.678 where: short stacking energy: -561.352 Base-Backbone interact. energy: 1.199 local terms energy: -642.210714 where: bonds (distance) C4'-P energy: -155.370 bonds (distance) P-C4' energy: -140.875 flat angles C4'-P-C4' energy: -136.528 flat angles P-C4'-P energy: -86.632 tors. eta vs tors. theta energy: -122.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1332.717294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.717294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.717294 (E_RNA) where: Base-Base interactions energy: -791.768 where: short stacking energy: -376.613 Base-Backbone interact. energy: -0.788 local terms energy: -540.161424 where: bonds (distance) C4'-P energy: -146.444 bonds (distance) P-C4' energy: -143.276 flat angles C4'-P-C4' energy: -125.869 flat angles P-C4'-P energy: -85.368 tors. eta vs tors. theta energy: -39.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1117.724725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.724725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.724725 (E_RNA) where: Base-Base interactions energy: -633.674 where: short stacking energy: -302.638 Base-Backbone interact. energy: -0.720 local terms energy: -483.331603 where: bonds (distance) C4'-P energy: -140.747 bonds (distance) P-C4' energy: -119.762 flat angles C4'-P-C4' energy: -131.945 flat angles P-C4'-P energy: -66.599 tors. eta vs tors. theta energy: -24.279 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: 3 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3102.038965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.038965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.038965 (E_RNA) where: Base-Base interactions energy: -2195.071 where: short stacking energy: -905.048 Base-Backbone interact. energy: -4.115 local terms energy: -902.852563 where: bonds (distance) C4'-P energy: -155.018 bonds (distance) P-C4' energy: -164.091 flat angles C4'-P-C4' energy: -193.017 flat angles P-C4'-P energy: -132.864 tors. eta vs tors. theta energy: -257.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -3019.681558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.681558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.681558 (E_RNA) where: Base-Base interactions energy: -2113.270 where: short stacking energy: -917.121 Base-Backbone interact. energy: -2.017 local terms energy: -904.394167 where: bonds (distance) C4'-P energy: -162.942 bonds (distance) P-C4' energy: -164.493 flat angles C4'-P-C4' energy: -190.573 flat angles P-C4'-P energy: -120.496 tors. eta vs tors. theta energy: -265.890 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: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2844.842881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.842881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.842881 (E_RNA) where: Base-Base interactions energy: -1986.442 where: short stacking energy: -852.666 Base-Backbone interact. energy: -1.500 local terms energy: -856.900598 where: bonds (distance) C4'-P energy: -151.791 bonds (distance) P-C4' energy: -146.200 flat angles C4'-P-C4' energy: -183.395 flat angles P-C4'-P energy: -116.237 tors. eta vs tors. theta energy: -259.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2827.465927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.465927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.465927 (E_RNA) where: Base-Base interactions energy: -1990.801 where: short stacking energy: -812.873 Base-Backbone interact. energy: -4.520 local terms energy: -832.144735 where: bonds (distance) C4'-P energy: -130.487 bonds (distance) P-C4' energy: -151.801 flat angles C4'-P-C4' energy: -182.964 flat angles P-C4'-P energy: -130.514 tors. eta vs tors. theta energy: -236.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2661.288802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.288802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.288802 (E_RNA) where: Base-Base interactions energy: -1838.685 where: short stacking energy: -802.059 Base-Backbone interact. energy: -1.128 local terms energy: -821.475847 where: bonds (distance) C4'-P energy: -156.364 bonds (distance) P-C4' energy: -158.406 flat angles C4'-P-C4' energy: -174.772 flat angles P-C4'-P energy: -107.087 tors. eta vs tors. theta energy: -224.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2476.154188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.154188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.154188 (E_RNA) where: Base-Base interactions energy: -1696.238 where: short stacking energy: -751.878 Base-Backbone interact. energy: -1.227 local terms energy: -778.689198 where: bonds (distance) C4'-P energy: -134.081 bonds (distance) P-C4' energy: -153.538 flat angles C4'-P-C4' energy: -164.423 flat angles P-C4'-P energy: -116.452 tors. eta vs tors. theta energy: -210.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2371.951485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.951485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.951485 (E_RNA) where: Base-Base interactions energy: -1640.998 where: short stacking energy: -728.764 Base-Backbone interact. energy: -1.708 local terms energy: -729.245009 where: bonds (distance) C4'-P energy: -141.545 bonds (distance) P-C4' energy: -140.184 flat angles C4'-P-C4' energy: -152.281 flat angles P-C4'-P energy: -105.090 tors. eta vs tors. theta energy: -190.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1884.025031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.025031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.025031 (E_RNA) where: Base-Base interactions energy: -1224.540 where: short stacking energy: -533.211 Base-Backbone interact. energy: -3.068 local terms energy: -656.416742 where: bonds (distance) C4'-P energy: -134.505 bonds (distance) P-C4' energy: -153.741 flat angles C4'-P-C4' energy: -150.467 flat angles P-C4'-P energy: -87.300 tors. eta vs tors. theta energy: -130.404 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: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1291.760788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.760788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.760788 (E_RNA) where: Base-Base interactions energy: -785.485 where: short stacking energy: -381.132 Base-Backbone interact. energy: 14.135 local terms energy: -520.411042 where: bonds (distance) C4'-P energy: -135.622 bonds (distance) P-C4' energy: -134.521 flat angles C4'-P-C4' energy: -129.722 flat angles P-C4'-P energy: -82.951 tors. eta vs tors. theta energy: -37.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1161.029335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.029335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.029335 (E_RNA) where: Base-Base interactions energy: -726.212 where: short stacking energy: -357.541 Base-Backbone interact. energy: 2.616 local terms energy: -437.432615 where: bonds (distance) C4'-P energy: -111.198 bonds (distance) P-C4' energy: -144.362 flat angles C4'-P-C4' energy: -121.281 flat angles P-C4'-P energy: -55.611 tors. eta vs tors. theta energy: -4.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3109.437053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.437053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.437053 (E_RNA) where: Base-Base interactions energy: -2185.666 where: short stacking energy: -924.789 Base-Backbone interact. energy: -4.806 local terms energy: -918.964879 where: bonds (distance) C4'-P energy: -157.728 bonds (distance) P-C4' energy: -164.395 flat angles C4'-P-C4' energy: -196.266 flat angles P-C4'-P energy: -137.038 tors. eta vs tors. theta energy: -263.539 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: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2951.737426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.737426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.737426 (E_RNA) where: Base-Base interactions energy: -2043.386 where: short stacking energy: -901.872 Base-Backbone interact. energy: -2.867 local terms energy: -905.483718 where: bonds (distance) C4'-P energy: -153.021 bonds (distance) P-C4' energy: -169.308 flat angles C4'-P-C4' energy: -178.213 flat angles P-C4'-P energy: -126.439 tors. eta vs tors. theta energy: -278.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2900.039358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.039358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.039358 (E_RNA) where: Base-Base interactions energy: -1982.252 where: short stacking energy: -912.479 Base-Backbone interact. energy: -3.228 local terms energy: -914.560224 where: bonds (distance) C4'-P energy: -155.466 bonds (distance) P-C4' energy: -151.211 flat angles C4'-P-C4' energy: -202.829 flat angles P-C4'-P energy: -127.716 tors. eta vs tors. theta energy: -277.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2808.802466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.802466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.802466 (E_RNA) where: Base-Base interactions energy: -1979.808 where: short stacking energy: -848.138 Base-Backbone interact. energy: -7.686 local terms energy: -821.309064 where: bonds (distance) C4'-P energy: -136.379 bonds (distance) P-C4' energy: -151.869 flat angles C4'-P-C4' energy: -184.366 flat angles P-C4'-P energy: -113.463 tors. eta vs tors. theta energy: -235.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2635.168844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.168844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.168844 (E_RNA) where: Base-Base interactions energy: -1804.586 where: short stacking energy: -770.353 Base-Backbone interact. energy: -1.178 local terms energy: -829.404968 where: bonds (distance) C4'-P energy: -153.791 bonds (distance) P-C4' energy: -153.238 flat angles C4'-P-C4' energy: -179.899 flat angles P-C4'-P energy: -107.829 tors. eta vs tors. theta energy: -234.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2469.469495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.469495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.469495 (E_RNA) where: Base-Base interactions energy: -1704.926 where: short stacking energy: -734.940 Base-Backbone interact. energy: -0.831 local terms energy: -763.712686 where: bonds (distance) C4'-P energy: -146.125 bonds (distance) P-C4' energy: -151.400 flat angles C4'-P-C4' energy: -157.706 flat angles P-C4'-P energy: -113.779 tors. eta vs tors. theta energy: -194.703 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: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2335.303114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.303114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.303114 (E_RNA) where: Base-Base interactions energy: -1606.511 where: short stacking energy: -708.675 Base-Backbone interact. energy: -3.047 local terms energy: -725.745538 where: bonds (distance) C4'-P energy: -125.957 bonds (distance) P-C4' energy: -124.993 flat angles C4'-P-C4' energy: -180.140 flat angles P-C4'-P energy: -110.056 tors. eta vs tors. theta energy: -184.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1868.495582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.495582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.495582 (E_RNA) where: Base-Base interactions energy: -1239.616 where: short stacking energy: -578.942 Base-Backbone interact. energy: -3.503 local terms energy: -625.376454 where: bonds (distance) C4'-P energy: -136.123 bonds (distance) P-C4' energy: -124.785 flat angles C4'-P-C4' energy: -150.278 flat angles P-C4'-P energy: -90.474 tors. eta vs tors. theta energy: -123.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1310.614345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.614345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.614345 (E_RNA) where: Base-Base interactions energy: -802.215 where: short stacking energy: -385.029 Base-Backbone interact. energy: -1.136 local terms energy: -507.263429 where: bonds (distance) C4'-P energy: -123.730 bonds (distance) P-C4' energy: -136.820 flat angles C4'-P-C4' energy: -123.418 flat angles P-C4'-P energy: -65.530 tors. eta vs tors. theta energy: -57.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1191.751873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.751873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.751873 (E_RNA) where: Base-Base interactions energy: -702.025 where: short stacking energy: -339.982 Base-Backbone interact. energy: 1.262 local terms energy: -490.988385 where: bonds (distance) C4'-P energy: -136.746 bonds (distance) P-C4' energy: -97.853 flat angles C4'-P-C4' energy: -134.202 flat angles P-C4'-P energy: -70.645 tors. eta vs tors. theta energy: -51.542 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: 3 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3115.239010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.239010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.239010 (E_RNA) where: Base-Base interactions energy: -2196.240 where: short stacking energy: -920.253 Base-Backbone interact. energy: -2.592 local terms energy: -916.407593 where: bonds (distance) C4'-P energy: -161.249 bonds (distance) P-C4' energy: -158.167 flat angles C4'-P-C4' energy: -195.350 flat angles P-C4'-P energy: -131.519 tors. eta vs tors. theta energy: -270.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -3019.013644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.013644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.013644 (E_RNA) where: Base-Base interactions energy: -2073.946 where: short stacking energy: -904.176 Base-Backbone interact. energy: -4.410 local terms energy: -940.657507 where: bonds (distance) C4'-P energy: -165.564 bonds (distance) P-C4' energy: -170.876 flat angles C4'-P-C4' energy: -194.346 flat angles P-C4'-P energy: -133.809 tors. eta vs tors. theta energy: -276.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2871.839546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.839546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.839546 (E_RNA) where: Base-Base interactions energy: -1991.233 where: short stacking energy: -867.998 Base-Backbone interact. energy: -4.841 local terms energy: -875.766082 where: bonds (distance) C4'-P energy: -135.808 bonds (distance) P-C4' energy: -164.347 flat angles C4'-P-C4' energy: -190.471 flat angles P-C4'-P energy: -131.286 tors. eta vs tors. theta energy: -253.855 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: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2796.816603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.816603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.816603 (E_RNA) where: Base-Base interactions energy: -1922.155 where: short stacking energy: -873.305 Base-Backbone interact. energy: 0.582 local terms energy: -875.243908 where: bonds (distance) C4'-P energy: -155.800 bonds (distance) P-C4' energy: -159.723 flat angles C4'-P-C4' energy: -165.888 flat angles P-C4'-P energy: -128.448 tors. eta vs tors. theta energy: -265.384 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: 8 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2636.726650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.726650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.726650 (E_RNA) where: Base-Base interactions energy: -1821.518 where: short stacking energy: -820.547 Base-Backbone interact. energy: -3.233 local terms energy: -811.975957 where: bonds (distance) C4'-P energy: -138.769 bonds (distance) P-C4' energy: -158.558 flat angles C4'-P-C4' energy: -167.179 flat angles P-C4'-P energy: -118.757 tors. eta vs tors. theta energy: -228.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2464.358691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.358691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.358691 (E_RNA) where: Base-Base interactions energy: -1711.079 where: short stacking energy: -743.693 Base-Backbone interact. energy: -5.394 local terms energy: -747.885626 where: bonds (distance) C4'-P energy: -132.297 bonds (distance) P-C4' energy: -137.600 flat angles C4'-P-C4' energy: -154.395 flat angles P-C4'-P energy: -112.287 tors. eta vs tors. theta energy: -211.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2339.944870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.944870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.944870 (E_RNA) where: Base-Base interactions energy: -1612.204 where: short stacking energy: -720.595 Base-Backbone interact. energy: -4.593 local terms energy: -723.147936 where: bonds (distance) C4'-P energy: -121.728 bonds (distance) P-C4' energy: -139.562 flat angles C4'-P-C4' energy: -165.905 flat angles P-C4'-P energy: -89.127 tors. eta vs tors. theta energy: -206.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1851.395761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.395761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.395761 (E_RNA) where: Base-Base interactions energy: -1244.451 where: short stacking energy: -569.745 Base-Backbone interact. energy: -0.126 local terms energy: -606.818930 where: bonds (distance) C4'-P energy: -121.047 bonds (distance) P-C4' energy: -138.687 flat angles C4'-P-C4' energy: -142.331 flat angles P-C4'-P energy: -94.394 tors. eta vs tors. theta energy: -110.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1396.704598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.704598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.704598 (E_RNA) where: Base-Base interactions energy: -843.190 where: short stacking energy: -418.640 Base-Backbone interact. energy: -2.834 local terms energy: -550.680918 where: bonds (distance) C4'-P energy: -140.710 bonds (distance) P-C4' energy: -132.251 flat angles C4'-P-C4' energy: -117.595 flat angles P-C4'-P energy: -87.305 tors. eta vs tors. theta energy: -72.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1115.551964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.551964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.551964 (E_RNA) where: Base-Base interactions energy: -654.093 where: short stacking energy: -321.543 Base-Backbone interact. energy: -0.970 local terms energy: -460.489760 where: bonds (distance) C4'-P energy: -116.433 bonds (distance) P-C4' energy: -142.045 flat angles C4'-P-C4' energy: -115.854 flat angles P-C4'-P energy: -70.840 tors. eta vs tors. theta energy: -15.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3124.137485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.137485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.137485 (E_RNA) where: Base-Base interactions energy: -2175.510 where: short stacking energy: -935.545 Base-Backbone interact. energy: 1.944 local terms energy: -950.571634 where: bonds (distance) C4'-P energy: -164.972 bonds (distance) P-C4' energy: -181.137 flat angles C4'-P-C4' energy: -203.775 flat angles P-C4'-P energy: -130.138 tors. eta vs tors. theta energy: -270.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -3013.341551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.341551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.341551 (E_RNA) where: Base-Base interactions energy: -2090.370 where: short stacking energy: -936.690 Base-Backbone interact. energy: -6.224 local terms energy: -916.748044 where: bonds (distance) C4'-P energy: -158.421 bonds (distance) P-C4' energy: -157.800 flat angles C4'-P-C4' energy: -192.277 flat angles P-C4'-P energy: -131.687 tors. eta vs tors. theta energy: -276.562 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: 3, replica: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2877.194552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.194552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.194552 (E_RNA) where: Base-Base interactions energy: -1997.572 where: short stacking energy: -862.554 Base-Backbone interact. energy: -4.360 local terms energy: -875.261662 where: bonds (distance) C4'-P energy: -146.638 bonds (distance) P-C4' energy: -170.025 flat angles C4'-P-C4' energy: -183.520 flat angles P-C4'-P energy: -123.841 tors. eta vs tors. theta energy: -251.238 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: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2820.718039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.718039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.718039 (E_RNA) where: Base-Base interactions energy: -1951.126 where: short stacking energy: -873.286 Base-Backbone interact. energy: -1.540 local terms energy: -868.051925 where: bonds (distance) C4'-P energy: -140.725 bonds (distance) P-C4' energy: -148.800 flat angles C4'-P-C4' energy: -194.934 flat angles P-C4'-P energy: -123.332 tors. eta vs tors. theta energy: -260.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2622.914082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.914082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.914082 (E_RNA) where: Base-Base interactions energy: -1818.800 where: short stacking energy: -807.436 Base-Backbone interact. energy: -0.229 local terms energy: -803.884395 where: bonds (distance) C4'-P energy: -143.769 bonds (distance) P-C4' energy: -142.046 flat angles C4'-P-C4' energy: -183.265 flat angles P-C4'-P energy: -109.444 tors. eta vs tors. theta energy: -225.360 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: 307 Temperature: 1.150000 Total energy: -2462.768994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.768994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.768994 (E_RNA) where: Base-Base interactions energy: -1701.154 where: short stacking energy: -712.109 Base-Backbone interact. energy: 1.924 local terms energy: -763.539444 where: bonds (distance) C4'-P energy: -155.022 bonds (distance) P-C4' energy: -139.663 flat angles C4'-P-C4' energy: -162.845 flat angles P-C4'-P energy: -109.013 tors. eta vs tors. theta energy: -196.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2260.517677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.517677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.517677 (E_RNA) where: Base-Base interactions energy: -1551.716 where: short stacking energy: -678.466 Base-Backbone interact. energy: -1.520 local terms energy: -707.281509 where: bonds (distance) C4'-P energy: -139.699 bonds (distance) P-C4' energy: -126.744 flat angles C4'-P-C4' energy: -166.949 flat angles P-C4'-P energy: -96.942 tors. eta vs tors. theta energy: -176.948 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: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1815.506258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.506258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.506258 (E_RNA) where: Base-Base interactions energy: -1199.689 where: short stacking energy: -552.782 Base-Backbone interact. energy: -2.107 local terms energy: -613.710955 where: bonds (distance) C4'-P energy: -130.228 bonds (distance) P-C4' energy: -122.391 flat angles C4'-P-C4' energy: -153.023 flat angles P-C4'-P energy: -97.326 tors. eta vs tors. theta energy: -110.742 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: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1440.952504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.952504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.952504 (E_RNA) where: Base-Base interactions energy: -915.550 where: short stacking energy: -436.876 Base-Backbone interact. energy: 5.908 local terms energy: -531.310885 where: bonds (distance) C4'-P energy: -126.711 bonds (distance) P-C4' energy: -141.038 flat angles C4'-P-C4' energy: -144.813 flat angles P-C4'-P energy: -53.370 tors. eta vs tors. theta energy: -65.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1198.937296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.937296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.937296 (E_RNA) where: Base-Base interactions energy: -716.635 where: short stacking energy: -313.237 Base-Backbone interact. energy: -5.092 local terms energy: -477.210597 where: bonds (distance) C4'-P energy: -115.811 bonds (distance) P-C4' energy: -122.251 flat angles C4'-P-C4' energy: -137.956 flat angles P-C4'-P energy: -72.744 tors. eta vs tors. theta energy: -28.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3111.028092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.028092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.028092 (E_RNA) where: Base-Base interactions energy: -2194.323 where: short stacking energy: -941.892 Base-Backbone interact. energy: -3.589 local terms energy: -913.115705 where: bonds (distance) C4'-P energy: -162.814 bonds (distance) P-C4' energy: -175.467 flat angles C4'-P-C4' energy: -188.620 flat angles P-C4'-P energy: -120.115 tors. eta vs tors. theta energy: -266.099 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: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -3037.582965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.582965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.582965 (E_RNA) where: Base-Base interactions energy: -2090.904 where: short stacking energy: -940.789 Base-Backbone interact. energy: -3.110 local terms energy: -943.569634 where: bonds (distance) C4'-P energy: -163.429 bonds (distance) P-C4' energy: -170.233 flat angles C4'-P-C4' energy: -195.050 flat angles P-C4'-P energy: -128.513 tors. eta vs tors. theta energy: -286.345 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: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2890.496309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.496309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.496309 (E_RNA) where: Base-Base interactions energy: -2022.939 where: short stacking energy: -892.480 Base-Backbone interact. energy: 1.654 local terms energy: -869.211473 where: bonds (distance) C4'-P energy: -156.697 bonds (distance) P-C4' energy: -158.547 flat angles C4'-P-C4' energy: -173.323 flat angles P-C4'-P energy: -125.374 tors. eta vs tors. theta energy: -255.269 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: 2 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2828.331934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.331934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.331934 (E_RNA) where: Base-Base interactions energy: -1962.014 where: short stacking energy: -885.411 Base-Backbone interact. energy: -2.593 local terms energy: -863.725157 where: bonds (distance) C4'-P energy: -138.550 bonds (distance) P-C4' energy: -152.608 flat angles C4'-P-C4' energy: -192.654 flat angles P-C4'-P energy: -117.491 tors. eta vs tors. theta energy: -262.423 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: 8 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2677.347184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.347184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.347184 (E_RNA) where: Base-Base interactions energy: -1863.178 where: short stacking energy: -810.124 Base-Backbone interact. energy: -0.966 local terms energy: -813.203702 where: bonds (distance) C4'-P energy: -150.778 bonds (distance) P-C4' energy: -145.449 flat angles C4'-P-C4' energy: -177.603 flat angles P-C4'-P energy: -121.895 tors. eta vs tors. theta energy: -217.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2457.142333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.142333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.142333 (E_RNA) where: Base-Base interactions energy: -1709.831 where: short stacking energy: -741.548 Base-Backbone interact. energy: 2.343 local terms energy: -749.654344 where: bonds (distance) C4'-P energy: -129.390 bonds (distance) P-C4' energy: -164.473 flat angles C4'-P-C4' energy: -160.596 flat angles P-C4'-P energy: -100.610 tors. eta vs tors. theta energy: -194.586 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: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2318.441981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.441981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.441981 (E_RNA) where: Base-Base interactions energy: -1621.287 where: short stacking energy: -701.127 Base-Backbone interact. energy: -0.492 local terms energy: -696.662679 where: bonds (distance) C4'-P energy: -140.186 bonds (distance) P-C4' energy: -130.319 flat angles C4'-P-C4' energy: -146.617 flat angles P-C4'-P energy: -108.923 tors. eta vs tors. theta energy: -170.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1800.719232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.719232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.719232 (E_RNA) where: Base-Base interactions energy: -1167.678 where: short stacking energy: -538.864 Base-Backbone interact. energy: -0.807 local terms energy: -632.234063 where: bonds (distance) C4'-P energy: -107.729 bonds (distance) P-C4' energy: -163.287 flat angles C4'-P-C4' energy: -145.131 flat angles P-C4'-P energy: -103.780 tors. eta vs tors. theta energy: -112.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1484.138516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.138516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.138516 (E_RNA) where: Base-Base interactions energy: -968.497 where: short stacking energy: -426.461 Base-Backbone interact. energy: -3.416 local terms energy: -512.225118 where: bonds (distance) C4'-P energy: -134.554 bonds (distance) P-C4' energy: -126.969 flat angles C4'-P-C4' energy: -128.869 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: -49.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1275.720421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.720421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.720421 (E_RNA) where: Base-Base interactions energy: -737.731 where: short stacking energy: -349.193 Base-Backbone interact. energy: -2.229 local terms energy: -535.759965 where: bonds (distance) C4'-P energy: -140.239 bonds (distance) P-C4' energy: -142.946 flat angles C4'-P-C4' energy: -139.229 flat angles P-C4'-P energy: -75.932 tors. eta vs tors. theta energy: -37.414 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: 3 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3145.984130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.984130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.984130 (E_RNA) where: Base-Base interactions energy: -2199.578 where: short stacking energy: -945.610 Base-Backbone interact. energy: -3.147 local terms energy: -943.259284 where: bonds (distance) C4'-P energy: -165.591 bonds (distance) P-C4' energy: -179.420 flat angles C4'-P-C4' energy: -192.768 flat angles P-C4'-P energy: -126.793 tors. eta vs tors. theta energy: -278.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2978.177858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.177858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.177858 (E_RNA) where: Base-Base interactions energy: -2078.559 where: short stacking energy: -928.829 Base-Backbone interact. energy: -0.597 local terms energy: -899.021857 where: bonds (distance) C4'-P energy: -159.456 bonds (distance) P-C4' energy: -158.388 flat angles C4'-P-C4' energy: -178.668 flat angles P-C4'-P energy: -128.829 tors. eta vs tors. theta energy: -273.681 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: 3, replica: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2903.714329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.714329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.714329 (E_RNA) where: Base-Base interactions energy: -2023.511 where: short stacking energy: -863.071 Base-Backbone interact. energy: -4.216 local terms energy: -875.987600 where: bonds (distance) C4'-P energy: -159.264 bonds (distance) P-C4' energy: -142.231 flat angles C4'-P-C4' energy: -184.296 flat angles P-C4'-P energy: -130.104 tors. eta vs tors. theta energy: -260.092 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: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2806.243327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.243327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.243327 (E_RNA) where: Base-Base interactions energy: -1926.825 where: short stacking energy: -869.557 Base-Backbone interact. energy: -3.555 local terms energy: -875.863610 where: bonds (distance) C4'-P energy: -166.236 bonds (distance) P-C4' energy: -149.545 flat angles C4'-P-C4' energy: -185.281 flat angles P-C4'-P energy: -113.062 tors. eta vs tors. theta energy: -261.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2694.661756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.661756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.661756 (E_RNA) where: Base-Base interactions energy: -1891.546 where: short stacking energy: -797.959 Base-Backbone interact. energy: 2.532 local terms energy: -805.647937 where: bonds (distance) C4'-P energy: -143.724 bonds (distance) P-C4' energy: -156.687 flat angles C4'-P-C4' energy: -176.446 flat angles P-C4'-P energy: -98.203 tors. eta vs tors. theta energy: -230.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2499.337371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.337371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.337371 (E_RNA) where: Base-Base interactions energy: -1714.362 where: short stacking energy: -760.454 Base-Backbone interact. energy: -3.812 local terms energy: -781.163972 where: bonds (distance) C4'-P energy: -131.608 bonds (distance) P-C4' energy: -159.192 flat angles C4'-P-C4' energy: -163.724 flat angles P-C4'-P energy: -112.833 tors. eta vs tors. theta energy: -213.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2336.718741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.718741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.718741 (E_RNA) where: Base-Base interactions energy: -1641.498 where: short stacking energy: -705.037 Base-Backbone interact. energy: 0.644 local terms energy: -695.864809 where: bonds (distance) C4'-P energy: -145.206 bonds (distance) P-C4' energy: -139.221 flat angles C4'-P-C4' energy: -131.245 flat angles P-C4'-P energy: -93.996 tors. eta vs tors. theta energy: -186.196 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: 309 Temperature: 1.250000 Total energy: -1871.950953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.950953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.950953 (E_RNA) where: Base-Base interactions energy: -1240.035 where: short stacking energy: -560.591 Base-Backbone interact. energy: 0.265 local terms energy: -632.180321 where: bonds (distance) C4'-P energy: -137.984 bonds (distance) P-C4' energy: -143.859 flat angles C4'-P-C4' energy: -149.972 flat angles P-C4'-P energy: -85.306 tors. eta vs tors. theta energy: -115.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1468.314475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.314475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.314475 (E_RNA) where: Base-Base interactions energy: -946.652 where: short stacking energy: -416.242 Base-Backbone interact. energy: 3.732 local terms energy: -525.394181 where: bonds (distance) C4'-P energy: -140.556 bonds (distance) P-C4' energy: -138.963 flat angles C4'-P-C4' energy: -121.135 flat angles P-C4'-P energy: -70.039 tors. eta vs tors. theta energy: -54.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1250.487405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.487405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.487405 (E_RNA) where: Base-Base interactions energy: -729.560 where: short stacking energy: -353.791 Base-Backbone interact. energy: -1.539 local terms energy: -519.388645 where: bonds (distance) C4'-P energy: -155.322 bonds (distance) P-C4' energy: -137.156 flat angles C4'-P-C4' energy: -113.437 flat angles P-C4'-P energy: -55.699 tors. eta vs tors. theta energy: -57.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3127.036154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.036154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.036154 (E_RNA) where: Base-Base interactions energy: -2194.239 where: short stacking energy: -947.191 Base-Backbone interact. energy: -4.830 local terms energy: -927.967295 where: bonds (distance) C4'-P energy: -165.674 bonds (distance) P-C4' energy: -166.884 flat angles C4'-P-C4' energy: -195.806 flat angles P-C4'-P energy: -126.113 tors. eta vs tors. theta energy: -273.490 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: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2963.753724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.753724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.753724 (E_RNA) where: Base-Base interactions energy: -2048.526 where: short stacking energy: -890.435 Base-Backbone interact. energy: -0.461 local terms energy: -914.766928 where: bonds (distance) C4'-P energy: -159.073 bonds (distance) P-C4' energy: -177.663 flat angles C4'-P-C4' energy: -174.291 flat angles P-C4'-P energy: -139.506 tors. eta vs tors. theta energy: -264.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2905.350359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.350359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.350359 (E_RNA) where: Base-Base interactions energy: -2016.573 where: short stacking energy: -869.435 Base-Backbone interact. energy: -0.052 local terms energy: -888.724966 where: bonds (distance) C4'-P energy: -141.813 bonds (distance) P-C4' energy: -158.597 flat angles C4'-P-C4' energy: -199.571 flat angles P-C4'-P energy: -123.318 tors. eta vs tors. theta energy: -265.426 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: 2 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2780.147914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.147914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.147914 (E_RNA) where: Base-Base interactions energy: -1927.308 where: short stacking energy: -842.405 Base-Backbone interact. energy: -4.419 local terms energy: -848.421428 where: bonds (distance) C4'-P energy: -133.209 bonds (distance) P-C4' energy: -169.779 flat angles C4'-P-C4' energy: -183.362 flat angles P-C4'-P energy: -115.124 tors. eta vs tors. theta energy: -246.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2728.522602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.522602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.522602 (E_RNA) where: Base-Base interactions energy: -1937.003 where: short stacking energy: -841.029 Base-Backbone interact. energy: -3.232 local terms energy: -788.287620 where: bonds (distance) C4'-P energy: -140.790 bonds (distance) P-C4' energy: -133.071 flat angles C4'-P-C4' energy: -175.154 flat angles P-C4'-P energy: -100.707 tors. eta vs tors. theta energy: -238.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2516.524620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.524620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.524620 (E_RNA) where: Base-Base interactions energy: -1782.634 where: short stacking energy: -763.371 Base-Backbone interact. energy: 3.032 local terms energy: -736.922727 where: bonds (distance) C4'-P energy: -117.835 bonds (distance) P-C4' energy: -139.194 flat angles C4'-P-C4' energy: -168.393 flat angles P-C4'-P energy: -108.331 tors. eta vs tors. theta energy: -203.169 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: 6 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2360.459911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.459911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.459911 (E_RNA) where: Base-Base interactions energy: -1644.239 where: short stacking energy: -715.329 Base-Backbone interact. energy: -1.402 local terms energy: -714.819348 where: bonds (distance) C4'-P energy: -122.922 bonds (distance) P-C4' energy: -124.528 flat angles C4'-P-C4' energy: -143.458 flat angles P-C4'-P energy: -112.909 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: 8, replica: 1 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1965.439771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.439771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.439771 (E_RNA) where: Base-Base interactions energy: -1326.648 where: short stacking energy: -586.572 Base-Backbone interact. energy: 0.457 local terms energy: -639.249257 where: bonds (distance) C4'-P energy: -123.425 bonds (distance) P-C4' energy: -132.146 flat angles C4'-P-C4' energy: -158.238 flat angles P-C4'-P energy: -82.817 tors. eta vs tors. theta energy: -142.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1469.912202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.912202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.912202 (E_RNA) where: Base-Base interactions energy: -936.806 where: short stacking energy: -424.829 Base-Backbone interact. energy: 0.240 local terms energy: -533.346617 where: bonds (distance) C4'-P energy: -136.405 bonds (distance) P-C4' energy: -142.804 flat angles C4'-P-C4' energy: -124.057 flat angles P-C4'-P energy: -71.687 tors. eta vs tors. theta energy: -58.394 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: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1323.174620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.174620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.174620 (E_RNA) where: Base-Base interactions energy: -835.668 where: short stacking energy: -377.706 Base-Backbone interact. energy: 2.477 local terms energy: -489.983538 where: bonds (distance) C4'-P energy: -130.724 bonds (distance) P-C4' energy: -115.936 flat angles C4'-P-C4' energy: -122.130 flat angles P-C4'-P energy: -77.803 tors. eta vs tors. theta energy: -43.390 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: 3 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3099.825307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.825307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.825307 (E_RNA) where: Base-Base interactions energy: -2197.610 where: short stacking energy: -929.016 Base-Backbone interact. energy: -3.997 local terms energy: -898.218911 where: bonds (distance) C4'-P energy: -138.613 bonds (distance) P-C4' energy: -179.070 flat angles C4'-P-C4' energy: -188.231 flat angles P-C4'-P energy: -114.989 tors. eta vs tors. theta energy: -277.316 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: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2959.763172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.763172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.763172 (E_RNA) where: Base-Base interactions energy: -2054.838 where: short stacking energy: -911.615 Base-Backbone interact. energy: -2.773 local terms energy: -902.151295 where: bonds (distance) C4'-P energy: -160.611 bonds (distance) P-C4' energy: -169.363 flat angles C4'-P-C4' energy: -183.336 flat angles P-C4'-P energy: -122.094 tors. eta vs tors. theta energy: -266.747 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: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2892.065944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.065944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.065944 (E_RNA) where: Base-Base interactions energy: -2023.459 where: short stacking energy: -928.307 Base-Backbone interact. energy: -3.381 local terms energy: -865.225885 where: bonds (distance) C4'-P energy: -169.692 bonds (distance) P-C4' energy: -134.419 flat angles C4'-P-C4' energy: -186.409 flat angles P-C4'-P energy: -103.667 tors. eta vs tors. theta energy: -271.039 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: 2 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2810.622965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.622965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.622965 (E_RNA) where: Base-Base interactions energy: -1952.956 where: short stacking energy: -851.139 Base-Backbone interact. energy: -2.411 local terms energy: -855.255350 where: bonds (distance) C4'-P energy: -151.051 bonds (distance) P-C4' energy: -162.016 flat angles C4'-P-C4' energy: -178.535 flat angles P-C4'-P energy: -115.245 tors. eta vs tors. theta energy: -248.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2706.908824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.908824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.908824 (E_RNA) where: Base-Base interactions energy: -1905.520 where: short stacking energy: -848.083 Base-Backbone interact. energy: -3.834 local terms energy: -797.554287 where: bonds (distance) C4'-P energy: -129.569 bonds (distance) P-C4' energy: -153.245 flat angles C4'-P-C4' energy: -164.172 flat angles P-C4'-P energy: -116.691 tors. eta vs tors. theta energy: -233.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2589.587219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.587219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.587219 (E_RNA) where: Base-Base interactions energy: -1862.141 where: short stacking energy: -772.106 Base-Backbone interact. energy: 1.921 local terms energy: -729.366497 where: bonds (distance) C4'-P energy: -115.268 bonds (distance) P-C4' energy: -137.790 flat angles C4'-P-C4' energy: -153.898 flat angles P-C4'-P energy: -94.487 tors. eta vs tors. theta energy: -227.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2280.963031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.963031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.963031 (E_RNA) where: Base-Base interactions energy: -1557.670 where: short stacking energy: -669.387 Base-Backbone interact. energy: 1.891 local terms energy: -725.183997 where: bonds (distance) C4'-P energy: -131.999 bonds (distance) P-C4' energy: -146.373 flat angles C4'-P-C4' energy: -164.664 flat angles P-C4'-P energy: -110.642 tors. eta vs tors. theta energy: -171.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1996.495005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.495005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.495005 (E_RNA) where: Base-Base interactions energy: -1357.656 where: short stacking energy: -567.423 Base-Backbone interact. energy: -4.010 local terms energy: -634.829351 where: bonds (distance) C4'-P energy: -142.338 bonds (distance) P-C4' energy: -152.719 flat angles C4'-P-C4' energy: -146.268 flat angles P-C4'-P energy: -59.511 tors. eta vs tors. theta energy: -133.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1346.250251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.250251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.250251 (E_RNA) where: Base-Base interactions energy: -802.628 where: short stacking energy: -409.119 Base-Backbone interact. energy: 3.044 local terms energy: -546.666197 where: bonds (distance) C4'-P energy: -144.984 bonds (distance) P-C4' energy: -136.088 flat angles C4'-P-C4' energy: -122.708 flat angles P-C4'-P energy: -75.902 tors. eta vs tors. theta energy: -66.984 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: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1264.082743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.082743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.082743 (E_RNA) where: Base-Base interactions energy: -769.220 where: short stacking energy: -383.970 Base-Backbone interact. energy: 8.894 local terms energy: -503.756633 where: bonds (distance) C4'-P energy: -108.832 bonds (distance) P-C4' energy: -138.482 flat angles C4'-P-C4' energy: -128.785 flat angles P-C4'-P energy: -81.242 tors. eta vs tors. theta energy: -46.414 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: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3144.157197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.157197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.157197 (E_RNA) where: Base-Base interactions energy: -2221.884 where: short stacking energy: -962.486 Base-Backbone interact. energy: -2.195 local terms energy: -920.078104 where: bonds (distance) C4'-P energy: -146.296 bonds (distance) P-C4' energy: -162.623 flat angles C4'-P-C4' energy: -189.401 flat angles P-C4'-P energy: -140.742 tors. eta vs tors. theta energy: -281.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2979.946589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.946589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.946589 (E_RNA) where: Base-Base interactions energy: -2044.703 where: short stacking energy: -943.255 Base-Backbone interact. energy: -3.783 local terms energy: -931.460672 where: bonds (distance) C4'-P energy: -169.262 bonds (distance) P-C4' energy: -171.721 flat angles C4'-P-C4' energy: -194.865 flat angles P-C4'-P energy: -118.324 tors. eta vs tors. theta energy: -277.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2909.338222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.338222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.338222 (E_RNA) where: Base-Base interactions energy: -2017.787 where: short stacking energy: -890.277 Base-Backbone interact. energy: -4.953 local terms energy: -886.597663 where: bonds (distance) C4'-P energy: -151.798 bonds (distance) P-C4' energy: -162.490 flat angles C4'-P-C4' energy: -173.474 flat angles P-C4'-P energy: -138.734 tors. eta vs tors. theta energy: -260.102 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: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2799.282882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.282882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.282882 (E_RNA) where: Base-Base interactions energy: -1929.356 where: short stacking energy: -874.107 Base-Backbone interact. energy: -3.283 local terms energy: -866.644567 where: bonds (distance) C4'-P energy: -150.640 bonds (distance) P-C4' energy: -159.563 flat angles C4'-P-C4' energy: -179.458 flat angles P-C4'-P energy: -114.933 tors. eta vs tors. theta energy: -262.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2734.125504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.125504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.125504 (E_RNA) where: Base-Base interactions energy: -1892.169 where: short stacking energy: -833.031 Base-Backbone interact. energy: -2.577 local terms energy: -839.380302 where: bonds (distance) C4'-P energy: -132.785 bonds (distance) P-C4' energy: -166.326 flat angles C4'-P-C4' energy: -179.751 flat angles P-C4'-P energy: -113.345 tors. eta vs tors. theta energy: -247.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2585.120013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.120013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.120013 (E_RNA) where: Base-Base interactions energy: -1778.492 where: short stacking energy: -777.734 Base-Backbone interact. energy: 1.143 local terms energy: -807.770865 where: bonds (distance) C4'-P energy: -138.320 bonds (distance) P-C4' energy: -162.704 flat angles C4'-P-C4' energy: -170.800 flat angles P-C4'-P energy: -110.932 tors. eta vs tors. theta energy: -225.015 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: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2303.694473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.694473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.694473 (E_RNA) where: Base-Base interactions energy: -1579.399 where: short stacking energy: -672.745 Base-Backbone interact. energy: -2.395 local terms energy: -721.900281 where: bonds (distance) C4'-P energy: -122.542 bonds (distance) P-C4' energy: -157.772 flat angles C4'-P-C4' energy: -157.729 flat angles P-C4'-P energy: -104.866 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: 8, replica: 1 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -2017.420701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.420701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.420701 (E_RNA) where: Base-Base interactions energy: -1349.711 where: short stacking energy: -586.116 Base-Backbone interact. energy: -0.540 local terms energy: -667.169784 where: bonds (distance) C4'-P energy: -136.422 bonds (distance) P-C4' energy: -157.127 flat angles C4'-P-C4' energy: -143.925 flat angles P-C4'-P energy: -91.539 tors. eta vs tors. theta energy: -138.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1439.523340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.523340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.523340 (E_RNA) where: Base-Base interactions energy: -898.044 where: short stacking energy: -420.607 Base-Backbone interact. energy: 3.949 local terms energy: -545.428295 where: bonds (distance) C4'-P energy: -124.564 bonds (distance) P-C4' energy: -145.075 flat angles C4'-P-C4' energy: -124.720 flat angles P-C4'-P energy: -84.340 tors. eta vs tors. theta energy: -66.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1202.737046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.737046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.737046 (E_RNA) where: Base-Base interactions energy: -725.785 where: short stacking energy: -335.818 Base-Backbone interact. energy: -0.033 local terms energy: -476.918622 where: bonds (distance) C4'-P energy: -141.376 bonds (distance) P-C4' energy: -123.845 flat angles C4'-P-C4' energy: -118.339 flat angles P-C4'-P energy: -64.111 tors. eta vs tors. theta energy: -29.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3125.268366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.268366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.268366 (E_RNA) where: Base-Base interactions energy: -2185.964 where: short stacking energy: -950.039 Base-Backbone interact. energy: -0.005 local terms energy: -939.299511 where: bonds (distance) C4'-P energy: -169.368 bonds (distance) P-C4' energy: -171.882 flat angles C4'-P-C4' energy: -188.721 flat angles P-C4'-P energy: -129.681 tors. eta vs tors. theta energy: -279.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2977.532640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.532640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.532640 (E_RNA) where: Base-Base interactions energy: -2068.564 where: short stacking energy: -918.670 Base-Backbone interact. energy: -5.647 local terms energy: -903.321972 where: bonds (distance) C4'-P energy: -162.697 bonds (distance) P-C4' energy: -160.439 flat angles C4'-P-C4' energy: -185.109 flat angles P-C4'-P energy: -117.979 tors. eta vs tors. theta energy: -277.097 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: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2877.566703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.566703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.566703 (E_RNA) where: Base-Base interactions energy: -2015.065 where: short stacking energy: -889.295 Base-Backbone interact. energy: -3.775 local terms energy: -858.726306 where: bonds (distance) C4'-P energy: -153.518 bonds (distance) P-C4' energy: -136.192 flat angles C4'-P-C4' energy: -187.808 flat angles P-C4'-P energy: -131.664 tors. eta vs tors. theta energy: -249.544 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: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2791.726983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.726983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.726983 (E_RNA) where: Base-Base interactions energy: -1930.111 where: short stacking energy: -870.330 Base-Backbone interact. energy: -1.271 local terms energy: -860.345022 where: bonds (distance) C4'-P energy: -146.249 bonds (distance) P-C4' energy: -144.354 flat angles C4'-P-C4' energy: -187.444 flat angles P-C4'-P energy: -121.331 tors. eta vs tors. theta energy: -260.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2695.441619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.441619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.441619 (E_RNA) where: Base-Base interactions energy: -1871.565 where: short stacking energy: -781.895 Base-Backbone interact. energy: -0.438 local terms energy: -823.438309 where: bonds (distance) C4'-P energy: -145.503 bonds (distance) P-C4' energy: -166.347 flat angles C4'-P-C4' energy: -177.947 flat angles P-C4'-P energy: -106.292 tors. eta vs tors. theta energy: -227.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2522.135889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.135889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.135889 (E_RNA) where: Base-Base interactions energy: -1776.136 where: short stacking energy: -757.177 Base-Backbone interact. energy: -3.241 local terms energy: -742.758933 where: bonds (distance) C4'-P energy: -125.359 bonds (distance) P-C4' energy: -137.768 flat angles C4'-P-C4' energy: -165.671 flat angles P-C4'-P energy: -101.672 tors. eta vs tors. theta energy: -212.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2299.451200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.451200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.451200 (E_RNA) where: Base-Base interactions energy: -1584.290 where: short stacking energy: -694.914 Base-Backbone interact. energy: -3.264 local terms energy: -711.896806 where: bonds (distance) C4'-P energy: -124.696 bonds (distance) P-C4' energy: -144.739 flat angles C4'-P-C4' energy: -161.764 flat angles P-C4'-P energy: -102.210 tors. eta vs tors. theta energy: -178.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -2024.995641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.995641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.995641 (E_RNA) where: Base-Base interactions energy: -1345.398 where: short stacking energy: -611.518 Base-Backbone interact. energy: 4.370 local terms energy: -683.967685 where: bonds (distance) C4'-P energy: -123.273 bonds (distance) P-C4' energy: -147.112 flat angles C4'-P-C4' energy: -155.196 flat angles P-C4'-P energy: -117.333 tors. eta vs tors. theta energy: -141.055 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: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1466.227345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.227345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.227345 (E_RNA) where: Base-Base interactions energy: -962.590 where: short stacking energy: -473.218 Base-Backbone interact. energy: -3.134 local terms energy: -500.503390 where: bonds (distance) C4'-P energy: -101.159 bonds (distance) P-C4' energy: -128.114 flat angles C4'-P-C4' energy: -120.742 flat angles P-C4'-P energy: -76.337 tors. eta vs tors. theta energy: -74.151 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: 10, replica: 9 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1174.986015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.986015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.986015 (E_RNA) where: Base-Base interactions energy: -671.875 where: short stacking energy: -343.933 Base-Backbone interact. energy: -0.857 local terms energy: -502.254278 where: bonds (distance) C4'-P energy: -122.120 bonds (distance) P-C4' energy: -142.884 flat angles C4'-P-C4' energy: -131.010 flat angles P-C4'-P energy: -68.743 tors. eta vs tors. theta energy: -37.497 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: 3 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3133.175472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.175472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.175472 (E_RNA) where: Base-Base interactions energy: -2188.574 where: short stacking energy: -959.463 Base-Backbone interact. energy: -6.194 local terms energy: -938.408167 where: bonds (distance) C4'-P energy: -171.128 bonds (distance) P-C4' energy: -150.505 flat angles C4'-P-C4' energy: -203.213 flat angles P-C4'-P energy: -134.262 tors. eta vs tors. theta energy: -279.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -3002.720854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.720854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.720854 (E_RNA) where: Base-Base interactions energy: -2080.820 where: short stacking energy: -911.186 Base-Backbone interact. energy: -3.939 local terms energy: -917.961760 where: bonds (distance) C4'-P energy: -160.640 bonds (distance) P-C4' energy: -161.889 flat angles C4'-P-C4' energy: -192.199 flat angles P-C4'-P energy: -130.679 tors. eta vs tors. theta energy: -272.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2876.447298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.447298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.447298 (E_RNA) where: Base-Base interactions energy: -2007.958 where: short stacking energy: -885.747 Base-Backbone interact. energy: -3.441 local terms energy: -865.048205 where: bonds (distance) C4'-P energy: -167.317 bonds (distance) P-C4' energy: -151.464 flat angles C4'-P-C4' energy: -170.764 flat angles P-C4'-P energy: -118.409 tors. eta vs tors. theta energy: -257.094 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: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2779.637907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.637907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.637907 (E_RNA) where: Base-Base interactions energy: -1938.939 where: short stacking energy: -839.017 Base-Backbone interact. energy: 1.242 local terms energy: -841.940902 where: bonds (distance) C4'-P energy: -128.821 bonds (distance) P-C4' energy: -157.113 flat angles C4'-P-C4' energy: -178.330 flat angles P-C4'-P energy: -125.082 tors. eta vs tors. theta energy: -252.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2665.581195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.581195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.581195 (E_RNA) where: Base-Base interactions energy: -1834.356 where: short stacking energy: -798.587 Base-Backbone interact. energy: -4.019 local terms energy: -827.206021 where: bonds (distance) C4'-P energy: -167.423 bonds (distance) P-C4' energy: -142.380 flat angles C4'-P-C4' energy: -177.473 flat angles P-C4'-P energy: -114.495 tors. eta vs tors. theta energy: -225.435 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: 7 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2558.423165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.423165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.423165 (E_RNA) where: Base-Base interactions energy: -1758.316 where: short stacking energy: -747.989 Base-Backbone interact. energy: -5.268 local terms energy: -794.839411 where: bonds (distance) C4'-P energy: -151.323 bonds (distance) P-C4' energy: -150.682 flat angles C4'-P-C4' energy: -176.214 flat angles P-C4'-P energy: -112.686 tors. eta vs tors. theta energy: -203.934 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: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2312.812067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.812067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.812067 (E_RNA) where: Base-Base interactions energy: -1588.882 where: short stacking energy: -707.290 Base-Backbone interact. energy: -3.306 local terms energy: -720.624008 where: bonds (distance) C4'-P energy: -135.071 bonds (distance) P-C4' energy: -147.483 flat angles C4'-P-C4' energy: -156.130 flat angles P-C4'-P energy: -114.342 tors. eta vs tors. theta energy: -167.598 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: 1 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -2064.671173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.671173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.671173 (E_RNA) where: Base-Base interactions energy: -1383.805 where: short stacking energy: -642.982 Base-Backbone interact. energy: 1.487 local terms energy: -682.352819 where: bonds (distance) C4'-P energy: -149.830 bonds (distance) P-C4' energy: -125.933 flat angles C4'-P-C4' energy: -143.003 flat angles P-C4'-P energy: -99.562 tors. eta vs tors. theta energy: -164.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1476.315330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.315330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.315330 (E_RNA) where: Base-Base interactions energy: -912.517 where: short stacking energy: -420.764 Base-Backbone interact. energy: -1.051 local terms energy: -562.747733 where: bonds (distance) C4'-P energy: -149.898 bonds (distance) P-C4' energy: -158.963 flat angles C4'-P-C4' energy: -120.760 flat angles P-C4'-P energy: -78.152 tors. eta vs tors. theta energy: -54.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1250.814712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.814712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.814712 (E_RNA) where: Base-Base interactions energy: -747.750 where: short stacking energy: -372.317 Base-Backbone interact. energy: -0.418 local terms energy: -502.646970 where: bonds (distance) C4'-P energy: -119.773 bonds (distance) P-C4' energy: -137.537 flat angles C4'-P-C4' energy: -134.096 flat angles P-C4'-P energy: -65.569 tors. eta vs tors. theta energy: -45.672 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: 1, replica: 3 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3110.249458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.249458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.249458 (E_RNA) where: Base-Base interactions energy: -2155.653 where: short stacking energy: -918.989 Base-Backbone interact. energy: -4.950 local terms energy: -949.646405 where: bonds (distance) C4'-P energy: -171.034 bonds (distance) P-C4' energy: -166.456 flat angles C4'-P-C4' energy: -202.708 flat angles P-C4'-P energy: -135.761 tors. eta vs tors. theta energy: -273.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2999.895312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.895312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.895312 (E_RNA) where: Base-Base interactions energy: -2054.010 where: short stacking energy: -905.303 Base-Backbone interact. energy: -4.183 local terms energy: -941.702606 where: bonds (distance) C4'-P energy: -174.200 bonds (distance) P-C4' energy: -172.192 flat angles C4'-P-C4' energy: -194.055 flat angles P-C4'-P energy: -129.125 tors. eta vs tors. theta energy: -272.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2906.021112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.021112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.021112 (E_RNA) where: Base-Base interactions energy: -2026.162 where: short stacking energy: -877.845 Base-Backbone interact. energy: -3.244 local terms energy: -876.615438 where: bonds (distance) C4'-P energy: -149.068 bonds (distance) P-C4' energy: -156.464 flat angles C4'-P-C4' energy: -191.638 flat angles P-C4'-P energy: -126.637 tors. eta vs tors. theta energy: -252.809 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: 2 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2812.815677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.815677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.815677 (E_RNA) where: Base-Base interactions energy: -1933.880 where: short stacking energy: -850.860 Base-Backbone interact. energy: 0.514 local terms energy: -879.449967 where: bonds (distance) C4'-P energy: -151.352 bonds (distance) P-C4' energy: -168.901 flat angles C4'-P-C4' energy: -191.362 flat angles P-C4'-P energy: -114.672 tors. eta vs tors. theta energy: -253.164 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: 8 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2660.535542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.535542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.535542 (E_RNA) where: Base-Base interactions energy: -1829.021 where: short stacking energy: -817.744 Base-Backbone interact. energy: -0.747 local terms energy: -830.766814 where: bonds (distance) C4'-P energy: -149.634 bonds (distance) P-C4' energy: -153.265 flat angles C4'-P-C4' energy: -175.427 flat angles P-C4'-P energy: -116.707 tors. eta vs tors. theta energy: -235.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2555.227530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.227530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.227530 (E_RNA) where: Base-Base interactions energy: -1781.699 where: short stacking energy: -735.276 Base-Backbone interact. energy: -2.109 local terms energy: -771.419935 where: bonds (distance) C4'-P energy: -123.355 bonds (distance) P-C4' energy: -154.542 flat angles C4'-P-C4' energy: -172.238 flat angles P-C4'-P energy: -115.817 tors. eta vs tors. theta energy: -205.468 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: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2240.991467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.991467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.991467 (E_RNA) where: Base-Base interactions energy: -1544.797 where: short stacking energy: -686.072 Base-Backbone interact. energy: 2.564 local terms energy: -698.757925 where: bonds (distance) C4'-P energy: -135.998 bonds (distance) P-C4' energy: -143.120 flat angles C4'-P-C4' energy: -160.427 flat angles P-C4'-P energy: -105.633 tors. eta vs tors. theta energy: -153.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1967.884861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.884861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.884861 (E_RNA) where: Base-Base interactions energy: -1303.490 where: short stacking energy: -626.390 Base-Backbone interact. energy: -0.742 local terms energy: -663.652058 where: bonds (distance) C4'-P energy: -133.487 bonds (distance) P-C4' energy: -127.779 flat angles C4'-P-C4' energy: -149.437 flat angles P-C4'-P energy: -86.619 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: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1479.479030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.479030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.479030 (E_RNA) where: Base-Base interactions energy: -920.658 where: short stacking energy: -447.656 Base-Backbone interact. energy: -3.883 local terms energy: -554.937875 where: bonds (distance) C4'-P energy: -145.451 bonds (distance) P-C4' energy: -138.312 flat angles C4'-P-C4' energy: -138.861 flat angles P-C4'-P energy: -58.776 tors. eta vs tors. theta energy: -73.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1193.986361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.986361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.986361 (E_RNA) where: Base-Base interactions energy: -694.471 where: short stacking energy: -345.423 Base-Backbone interact. energy: -1.027 local terms energy: -498.488102 where: bonds (distance) C4'-P energy: -109.934 bonds (distance) P-C4' energy: -135.411 flat angles C4'-P-C4' energy: -126.416 flat angles P-C4'-P energy: -80.878 tors. eta vs tors. theta energy: -45.849 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: 316 Temperature: 0.900000 Total energy: -3108.708817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.708817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.708817 (E_RNA) where: Base-Base interactions energy: -2181.785 where: short stacking energy: -937.594 Base-Backbone interact. energy: -5.458 local terms energy: -921.465750 where: bonds (distance) C4'-P energy: -159.655 bonds (distance) P-C4' energy: -170.875 flat angles C4'-P-C4' energy: -194.554 flat angles P-C4'-P energy: -120.034 tors. eta vs tors. theta energy: -276.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -3036.269915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.269915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.269915 (E_RNA) where: Base-Base interactions energy: -2093.453 where: short stacking energy: -924.288 Base-Backbone interact. energy: -2.338 local terms energy: -940.479242 where: bonds (distance) C4'-P energy: -159.694 bonds (distance) P-C4' energy: -169.246 flat angles C4'-P-C4' energy: -193.648 flat angles P-C4'-P energy: -142.882 tors. eta vs tors. theta energy: -275.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2856.016600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.016600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.016600 (E_RNA) where: Base-Base interactions energy: -1991.164 where: short stacking energy: -848.562 Base-Backbone interact. energy: -3.453 local terms energy: -861.399508 where: bonds (distance) C4'-P energy: -149.125 bonds (distance) P-C4' energy: -160.855 flat angles C4'-P-C4' energy: -178.471 flat angles P-C4'-P energy: -133.622 tors. eta vs tors. theta energy: -239.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2809.466699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.466699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.466699 (E_RNA) where: Base-Base interactions energy: -1950.834 where: short stacking energy: -848.186 Base-Backbone interact. energy: 0.907 local terms energy: -859.540092 where: bonds (distance) C4'-P energy: -133.454 bonds (distance) P-C4' energy: -157.090 flat angles C4'-P-C4' energy: -184.530 flat angles P-C4'-P energy: -130.130 tors. eta vs tors. theta energy: -254.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2678.221341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.221341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.221341 (E_RNA) where: Base-Base interactions energy: -1851.455 where: short stacking energy: -805.311 Base-Backbone interact. energy: -0.502 local terms energy: -826.264409 where: bonds (distance) C4'-P energy: -141.729 bonds (distance) P-C4' energy: -151.103 flat angles C4'-P-C4' energy: -184.258 flat angles P-C4'-P energy: -124.357 tors. eta vs tors. theta energy: -224.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2586.186170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.186170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.186170 (E_RNA) where: Base-Base interactions energy: -1796.384 where: short stacking energy: -788.403 Base-Backbone interact. energy: 3.467 local terms energy: -793.268705 where: bonds (distance) C4'-P energy: -160.235 bonds (distance) P-C4' energy: -126.038 flat angles C4'-P-C4' energy: -164.973 flat angles P-C4'-P energy: -119.682 tors. eta vs tors. theta energy: -222.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2275.238522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.238522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.238522 (E_RNA) where: Base-Base interactions energy: -1588.865 where: short stacking energy: -681.993 Base-Backbone interact. energy: 2.631 local terms energy: -689.004692 where: bonds (distance) C4'-P energy: -114.524 bonds (distance) P-C4' energy: -137.418 flat angles C4'-P-C4' energy: -159.659 flat angles P-C4'-P energy: -109.695 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: 8, replica: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1988.838703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.838703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.838703 (E_RNA) where: Base-Base interactions energy: -1341.872 where: short stacking energy: -612.076 Base-Backbone interact. energy: -0.763 local terms energy: -646.203439 where: bonds (distance) C4'-P energy: -121.746 bonds (distance) P-C4' energy: -141.625 flat angles C4'-P-C4' energy: -151.554 flat angles P-C4'-P energy: -83.726 tors. eta vs tors. theta energy: -147.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1442.263042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.263042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.263042 (E_RNA) where: Base-Base interactions energy: -901.174 where: short stacking energy: -406.769 Base-Backbone interact. energy: -0.454 local terms energy: -540.635185 where: bonds (distance) C4'-P energy: -146.215 bonds (distance) P-C4' energy: -142.752 flat angles C4'-P-C4' energy: -121.199 flat angles P-C4'-P energy: -73.059 tors. eta vs tors. theta energy: -57.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1201.591717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.591717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.591717 (E_RNA) where: Base-Base interactions energy: -705.617 where: short stacking energy: -361.624 Base-Backbone interact. energy: 3.372 local terms energy: -499.347330 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -153.795 flat angles C4'-P-C4' energy: -110.116 flat angles P-C4'-P energy: -63.360 tors. eta vs tors. theta energy: -43.869 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: 3 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3107.962712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.962712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.962712 (E_RNA) where: Base-Base interactions energy: -2186.290 where: short stacking energy: -939.673 Base-Backbone interact. energy: -3.729 local terms energy: -917.944050 where: bonds (distance) C4'-P energy: -161.594 bonds (distance) P-C4' energy: -154.234 flat angles C4'-P-C4' energy: -200.101 flat angles P-C4'-P energy: -131.201 tors. eta vs tors. theta energy: -270.814 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: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -3006.244337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.244337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.244337 (E_RNA) where: Base-Base interactions energy: -2106.871 where: short stacking energy: -933.143 Base-Backbone interact. energy: -5.059 local terms energy: -894.313852 where: bonds (distance) C4'-P energy: -147.663 bonds (distance) P-C4' energy: -156.124 flat angles C4'-P-C4' energy: -180.916 flat angles P-C4'-P energy: -119.808 tors. eta vs tors. theta energy: -289.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2871.862305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.862305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.862305 (E_RNA) where: Base-Base interactions energy: -1986.301 where: short stacking energy: -867.540 Base-Backbone interact. energy: -5.861 local terms energy: -879.699937 where: bonds (distance) C4'-P energy: -165.065 bonds (distance) P-C4' energy: -167.414 flat angles C4'-P-C4' energy: -182.218 flat angles P-C4'-P energy: -115.256 tors. eta vs tors. theta energy: -249.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2754.227143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.227143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.227143 (E_RNA) where: Base-Base interactions energy: -1879.813 where: short stacking energy: -823.665 Base-Backbone interact. energy: -1.447 local terms energy: -872.967693 where: bonds (distance) C4'-P energy: -159.848 bonds (distance) P-C4' energy: -156.753 flat angles C4'-P-C4' energy: -182.319 flat angles P-C4'-P energy: -126.592 tors. eta vs tors. theta energy: -247.456 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: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2653.241007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.241007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.241007 (E_RNA) where: Base-Base interactions energy: -1864.420 where: short stacking energy: -827.927 Base-Backbone interact. energy: 0.360 local terms energy: -789.180991 where: bonds (distance) C4'-P energy: -136.160 bonds (distance) P-C4' energy: -148.512 flat angles C4'-P-C4' energy: -163.354 flat angles P-C4'-P energy: -108.335 tors. eta vs tors. theta energy: -232.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2542.758370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.758370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.758370 (E_RNA) where: Base-Base interactions energy: -1772.856 where: short stacking energy: -750.098 Base-Backbone interact. energy: -2.309 local terms energy: -767.593470 where: bonds (distance) C4'-P energy: -129.423 bonds (distance) P-C4' energy: -162.105 flat angles C4'-P-C4' energy: -151.865 flat angles P-C4'-P energy: -114.190 tors. eta vs tors. theta energy: -210.010 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: 6 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2309.068835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.068835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.068835 (E_RNA) where: Base-Base interactions energy: -1580.620 where: short stacking energy: -707.285 Base-Backbone interact. energy: -1.797 local terms energy: -726.651586 where: bonds (distance) C4'-P energy: -118.390 bonds (distance) P-C4' energy: -135.010 flat angles C4'-P-C4' energy: -173.918 flat angles P-C4'-P energy: -103.979 tors. eta vs tors. theta energy: -195.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1890.489720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.489720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.489720 (E_RNA) where: Base-Base interactions energy: -1246.467 where: short stacking energy: -560.375 Base-Backbone interact. energy: 4.660 local terms energy: -648.682759 where: bonds (distance) C4'-P energy: -119.048 bonds (distance) P-C4' energy: -154.189 flat angles C4'-P-C4' energy: -146.687 flat angles P-C4'-P energy: -86.204 tors. eta vs tors. theta energy: -142.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1442.424343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.424343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.424343 (E_RNA) where: Base-Base interactions energy: -904.250 where: short stacking energy: -440.776 Base-Backbone interact. energy: 2.728 local terms energy: -540.901468 where: bonds (distance) C4'-P energy: -132.332 bonds (distance) P-C4' energy: -140.427 flat angles C4'-P-C4' energy: -125.796 flat angles P-C4'-P energy: -81.930 tors. eta vs tors. theta energy: -60.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1147.688316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.688316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.688316 (E_RNA) where: Base-Base interactions energy: -710.719 where: short stacking energy: -291.391 Base-Backbone interact. energy: -2.292 local terms energy: -434.677285 where: bonds (distance) C4'-P energy: -115.295 bonds (distance) P-C4' energy: -147.460 flat angles C4'-P-C4' energy: -108.658 flat angles P-C4'-P energy: -44.587 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: 3 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3119.648570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.648570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.648570 (E_RNA) where: Base-Base interactions energy: -2189.838 where: short stacking energy: -958.944 Base-Backbone interact. energy: -4.070 local terms energy: -925.740166 where: bonds (distance) C4'-P energy: -161.574 bonds (distance) P-C4' energy: -162.082 flat angles C4'-P-C4' energy: -199.859 flat angles P-C4'-P energy: -130.282 tors. eta vs tors. theta energy: -271.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2993.357829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.357829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.357829 (E_RNA) where: Base-Base interactions energy: -2101.108 where: short stacking energy: -926.113 Base-Backbone interact. energy: -0.734 local terms energy: -891.516348 where: bonds (distance) C4'-P energy: -149.883 bonds (distance) P-C4' energy: -148.582 flat angles C4'-P-C4' energy: -196.825 flat angles P-C4'-P energy: -125.450 tors. eta vs tors. theta energy: -270.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2869.890377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.890377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.890377 (E_RNA) where: Base-Base interactions energy: -2001.785 where: short stacking energy: -866.951 Base-Backbone interact. energy: 2.610 local terms energy: -870.715782 where: bonds (distance) C4'-P energy: -166.288 bonds (distance) P-C4' energy: -155.165 flat angles C4'-P-C4' energy: -196.299 flat angles P-C4'-P energy: -98.129 tors. eta vs tors. theta energy: -254.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2832.335362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.335362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.335362 (E_RNA) where: Base-Base interactions energy: -1960.874 where: short stacking energy: -860.174 Base-Backbone interact. energy: -3.058 local terms energy: -868.403425 where: bonds (distance) C4'-P energy: -159.621 bonds (distance) P-C4' energy: -159.011 flat angles C4'-P-C4' energy: -178.820 flat angles P-C4'-P energy: -114.748 tors. eta vs tors. theta energy: -256.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2672.760433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.760433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.760433 (E_RNA) where: Base-Base interactions energy: -1835.099 where: short stacking energy: -767.701 Base-Backbone interact. energy: 2.844 local terms energy: -840.505435 where: bonds (distance) C4'-P energy: -140.545 bonds (distance) P-C4' energy: -178.583 flat angles C4'-P-C4' energy: -184.055 flat angles P-C4'-P energy: -115.331 tors. eta vs tors. theta energy: -221.992 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: 7 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2533.365376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.365376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.365376 (E_RNA) where: Base-Base interactions energy: -1790.422 where: short stacking energy: -768.177 Base-Backbone interact. energy: -3.161 local terms energy: -739.782556 where: bonds (distance) C4'-P energy: -140.835 bonds (distance) P-C4' energy: -130.904 flat angles C4'-P-C4' energy: -151.249 flat angles P-C4'-P energy: -99.652 tors. eta vs tors. theta energy: -217.143 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: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2321.989073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.989073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.989073 (E_RNA) where: Base-Base interactions energy: -1620.242 where: short stacking energy: -693.697 Base-Backbone interact. energy: -2.981 local terms energy: -698.766023 where: bonds (distance) C4'-P energy: -128.207 bonds (distance) P-C4' energy: -145.933 flat angles C4'-P-C4' energy: -146.441 flat angles P-C4'-P energy: -102.175 tors. eta vs tors. theta energy: -176.009 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: 1 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1927.098825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.098825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.098825 (E_RNA) where: Base-Base interactions energy: -1264.803 where: short stacking energy: -585.640 Base-Backbone interact. energy: -3.539 local terms energy: -658.757138 where: bonds (distance) C4'-P energy: -122.870 bonds (distance) P-C4' energy: -128.803 flat angles C4'-P-C4' energy: -164.816 flat angles P-C4'-P energy: -106.364 tors. eta vs tors. theta energy: -135.903 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: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1372.542157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.542157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.542157 (E_RNA) where: Base-Base interactions energy: -861.322 where: short stacking energy: -414.483 Base-Backbone interact. energy: -0.321 local terms energy: -510.899863 where: bonds (distance) C4'-P energy: -136.044 bonds (distance) P-C4' energy: -98.339 flat angles C4'-P-C4' energy: -140.454 flat angles P-C4'-P energy: -75.167 tors. eta vs tors. theta energy: -60.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1183.881409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.881409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.881409 (E_RNA) where: Base-Base interactions energy: -712.135 where: short stacking energy: -340.464 Base-Backbone interact. energy: -5.950 local terms energy: -465.796505 where: bonds (distance) C4'-P energy: -143.800 bonds (distance) P-C4' energy: -129.618 flat angles C4'-P-C4' energy: -106.859 flat angles P-C4'-P energy: -60.638 tors. eta vs tors. theta energy: -24.881 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: 3 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3109.948705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.948705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.948705 (E_RNA) where: Base-Base interactions energy: -2174.362 where: short stacking energy: -940.383 Base-Backbone interact. energy: -5.320 local terms energy: -930.266244 where: bonds (distance) C4'-P energy: -166.475 bonds (distance) P-C4' energy: -165.207 flat angles C4'-P-C4' energy: -200.381 flat angles P-C4'-P energy: -121.306 tors. eta vs tors. theta energy: -276.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -3004.114865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.114865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.114865 (E_RNA) where: Base-Base interactions energy: -2088.938 where: short stacking energy: -914.806 Base-Backbone interact. energy: -2.467 local terms energy: -912.709318 where: bonds (distance) C4'-P energy: -158.207 bonds (distance) P-C4' energy: -171.636 flat angles C4'-P-C4' energy: -186.656 flat angles P-C4'-P energy: -123.344 tors. eta vs tors. theta energy: -272.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2906.733056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.733056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.733056 (E_RNA) where: Base-Base interactions energy: -2037.976 where: short stacking energy: -883.763 Base-Backbone interact. energy: -4.153 local terms energy: -864.603891 where: bonds (distance) C4'-P energy: -154.153 bonds (distance) P-C4' energy: -152.617 flat angles C4'-P-C4' energy: -178.523 flat angles P-C4'-P energy: -118.014 tors. eta vs tors. theta energy: -261.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2836.591117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.591117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.591117 (E_RNA) where: Base-Base interactions energy: -1962.288 where: short stacking energy: -854.606 Base-Backbone interact. energy: -0.158 local terms energy: -874.145137 where: bonds (distance) C4'-P energy: -161.678 bonds (distance) P-C4' energy: -159.316 flat angles C4'-P-C4' energy: -175.693 flat angles P-C4'-P energy: -120.491 tors. eta vs tors. theta energy: -256.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2677.409978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.409978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.409978 (E_RNA) where: Base-Base interactions energy: -1865.498 where: short stacking energy: -818.777 Base-Backbone interact. energy: 2.956 local terms energy: -814.868026 where: bonds (distance) C4'-P energy: -136.244 bonds (distance) P-C4' energy: -142.584 flat angles C4'-P-C4' energy: -183.500 flat angles P-C4'-P energy: -109.378 tors. eta vs tors. theta energy: -243.163 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: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2547.182372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.182372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.182372 (E_RNA) where: Base-Base interactions energy: -1792.043 where: short stacking energy: -764.571 Base-Backbone interact. energy: -1.550 local terms energy: -753.589418 where: bonds (distance) C4'-P energy: -148.958 bonds (distance) P-C4' energy: -154.965 flat angles C4'-P-C4' energy: -151.100 flat angles P-C4'-P energy: -90.995 tors. eta vs tors. theta energy: -207.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2317.474453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.474453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.474453 (E_RNA) where: Base-Base interactions energy: -1607.143 where: short stacking energy: -687.356 Base-Backbone interact. energy: -1.988 local terms energy: -708.343879 where: bonds (distance) C4'-P energy: -126.576 bonds (distance) P-C4' energy: -147.108 flat angles C4'-P-C4' energy: -167.247 flat angles P-C4'-P energy: -82.328 tors. eta vs tors. theta energy: -185.085 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: 319 Temperature: 1.250000 Total energy: -2038.947113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.947113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.947113 (E_RNA) where: Base-Base interactions energy: -1376.879 where: short stacking energy: -627.728 Base-Backbone interact. energy: -1.617 local terms energy: -660.451606 where: bonds (distance) C4'-P energy: -131.495 bonds (distance) P-C4' energy: -130.457 flat angles C4'-P-C4' energy: -142.612 flat angles P-C4'-P energy: -92.359 tors. eta vs tors. theta energy: -163.528 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: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1398.481443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.481443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.481443 (E_RNA) where: Base-Base interactions energy: -841.851 where: short stacking energy: -413.496 Base-Backbone interact. energy: -2.821 local terms energy: -553.809625 where: bonds (distance) C4'-P energy: -132.025 bonds (distance) P-C4' energy: -144.425 flat angles C4'-P-C4' energy: -144.945 flat angles P-C4'-P energy: -88.101 tors. eta vs tors. theta energy: -44.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1210.251725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.251725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.251725 (E_RNA) where: Base-Base interactions energy: -739.808 where: short stacking energy: -368.119 Base-Backbone interact. energy: 9.239 local terms energy: -479.682865 where: bonds (distance) C4'-P energy: -126.606 bonds (distance) P-C4' energy: -135.144 flat angles C4'-P-C4' energy: -125.957 flat angles P-C4'-P energy: -58.521 tors. eta vs tors. theta energy: -33.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3135.866712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.866712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.866712 (E_RNA) where: Base-Base interactions energy: -2210.596 where: short stacking energy: -929.438 Base-Backbone interact. energy: -4.222 local terms energy: -921.049115 where: bonds (distance) C4'-P energy: -162.857 bonds (distance) P-C4' energy: -162.829 flat angles C4'-P-C4' energy: -183.824 flat angles P-C4'-P energy: -136.216 tors. eta vs tors. theta energy: -275.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -3009.575546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.575546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.575546 (E_RNA) where: Base-Base interactions energy: -2095.080 where: short stacking energy: -959.776 Base-Backbone interact. energy: -6.043 local terms energy: -908.452349 where: bonds (distance) C4'-P energy: -153.010 bonds (distance) P-C4' energy: -163.166 flat angles C4'-P-C4' energy: -197.861 flat angles P-C4'-P energy: -117.782 tors. eta vs tors. theta energy: -276.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2871.848925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.848925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.848925 (E_RNA) where: Base-Base interactions energy: -2013.229 where: short stacking energy: -870.109 Base-Backbone interact. energy: 2.916 local terms energy: -861.536281 where: bonds (distance) C4'-P energy: -162.514 bonds (distance) P-C4' energy: -144.724 flat angles C4'-P-C4' energy: -184.386 flat angles P-C4'-P energy: -118.327 tors. eta vs tors. theta energy: -251.585 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: 320 Temperature: 1.050000 Total energy: -2807.611237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.611237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.611237 (E_RNA) where: Base-Base interactions energy: -1970.094 where: short stacking energy: -860.136 Base-Backbone interact. energy: -3.279 local terms energy: -834.238270 where: bonds (distance) C4'-P energy: -151.162 bonds (distance) P-C4' energy: -144.413 flat angles C4'-P-C4' energy: -182.239 flat angles P-C4'-P energy: -111.655 tors. eta vs tors. theta energy: -244.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2668.185256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.185256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.185256 (E_RNA) where: Base-Base interactions energy: -1845.136 where: short stacking energy: -798.758 Base-Backbone interact. energy: -5.040 local terms energy: -818.009914 where: bonds (distance) C4'-P energy: -143.966 bonds (distance) P-C4' energy: -146.673 flat angles C4'-P-C4' energy: -182.626 flat angles P-C4'-P energy: -125.111 tors. eta vs tors. theta energy: -219.634 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: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2496.982970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.982970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.982970 (E_RNA) where: Base-Base interactions energy: -1752.463 where: short stacking energy: -726.846 Base-Backbone interact. energy: 1.259 local terms energy: -745.779122 where: bonds (distance) C4'-P energy: -126.098 bonds (distance) P-C4' energy: -155.086 flat angles C4'-P-C4' energy: -170.301 flat angles P-C4'-P energy: -104.409 tors. eta vs tors. theta energy: -189.885 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: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2325.979062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.979062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.979062 (E_RNA) where: Base-Base interactions energy: -1603.828 where: short stacking energy: -706.352 Base-Backbone interact. energy: -4.752 local terms energy: -717.399065 where: bonds (distance) C4'-P energy: -148.595 bonds (distance) P-C4' energy: -140.118 flat angles C4'-P-C4' energy: -159.229 flat angles P-C4'-P energy: -79.045 tors. eta vs tors. theta energy: -190.412 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: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1922.472973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.472973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.472973 (E_RNA) where: Base-Base interactions energy: -1260.981 where: short stacking energy: -580.018 Base-Backbone interact. energy: -0.408 local terms energy: -661.084564 where: bonds (distance) C4'-P energy: -129.603 bonds (distance) P-C4' energy: -153.501 flat angles C4'-P-C4' energy: -147.853 flat angles P-C4'-P energy: -89.234 tors. eta vs tors. theta energy: -140.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1371.147120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.147120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.147120 (E_RNA) where: Base-Base interactions energy: -876.162 where: short stacking energy: -407.047 Base-Backbone interact. energy: -1.138 local terms energy: -493.846999 where: bonds (distance) C4'-P energy: -100.195 bonds (distance) P-C4' energy: -147.946 flat angles C4'-P-C4' energy: -135.726 flat angles P-C4'-P energy: -64.729 tors. eta vs tors. theta energy: -45.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1225.126122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.126122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.126122 (E_RNA) where: Base-Base interactions energy: -727.480 where: short stacking energy: -354.479 Base-Backbone interact. energy: -4.553 local terms energy: -493.093232 where: bonds (distance) C4'-P energy: -115.986 bonds (distance) P-C4' energy: -135.897 flat angles C4'-P-C4' energy: -131.776 flat angles P-C4'-P energy: -79.843 tors. eta vs tors. theta energy: -29.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3111.642443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.642443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.642443 (E_RNA) where: Base-Base interactions energy: -2158.323 where: short stacking energy: -920.651 Base-Backbone interact. energy: -0.958 local terms energy: -952.360830 where: bonds (distance) C4'-P energy: -175.407 bonds (distance) P-C4' energy: -154.726 flat angles C4'-P-C4' energy: -197.692 flat angles P-C4'-P energy: -146.564 tors. eta vs tors. theta energy: -277.972 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: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -3010.227650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.227650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.227650 (E_RNA) where: Base-Base interactions energy: -2109.392 where: short stacking energy: -908.926 Base-Backbone interact. energy: -5.890 local terms energy: -894.945566 where: bonds (distance) C4'-P energy: -157.019 bonds (distance) P-C4' energy: -149.114 flat angles C4'-P-C4' energy: -185.557 flat angles P-C4'-P energy: -127.247 tors. eta vs tors. theta energy: -276.008 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: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2851.264210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.264210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.264210 (E_RNA) where: Base-Base interactions energy: -1970.535 where: short stacking energy: -851.108 Base-Backbone interact. energy: -4.800 local terms energy: -875.928953 where: bonds (distance) C4'-P energy: -149.967 bonds (distance) P-C4' energy: -162.851 flat angles C4'-P-C4' energy: -176.672 flat angles P-C4'-P energy: -132.470 tors. eta vs tors. theta energy: -253.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2788.447220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.447220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.447220 (E_RNA) where: Base-Base interactions energy: -1910.323 where: short stacking energy: -823.354 Base-Backbone interact. energy: -3.823 local terms energy: -874.301094 where: bonds (distance) C4'-P energy: -163.109 bonds (distance) P-C4' energy: -163.159 flat angles C4'-P-C4' energy: -178.230 flat angles P-C4'-P energy: -124.418 tors. eta vs tors. theta energy: -245.385 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: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2648.779538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.779538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.779538 (E_RNA) where: Base-Base interactions energy: -1855.529 where: short stacking energy: -814.134 Base-Backbone interact. energy: -2.511 local terms energy: -790.739726 where: bonds (distance) C4'-P energy: -141.394 bonds (distance) P-C4' energy: -136.757 flat angles C4'-P-C4' energy: -171.472 flat angles P-C4'-P energy: -109.584 tors. eta vs tors. theta energy: -231.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2603.321112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.321112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.321112 (E_RNA) where: Base-Base interactions energy: -1832.997 where: short stacking energy: -792.205 Base-Backbone interact. energy: -4.047 local terms energy: -766.277784 where: bonds (distance) C4'-P energy: -137.280 bonds (distance) P-C4' energy: -130.918 flat angles C4'-P-C4' energy: -172.877 flat angles P-C4'-P energy: -107.188 tors. eta vs tors. theta energy: -218.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2311.729499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.729499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.729499 (E_RNA) where: Base-Base interactions energy: -1589.824 where: short stacking energy: -686.399 Base-Backbone interact. energy: 0.845 local terms energy: -722.750616 where: bonds (distance) C4'-P energy: -117.799 bonds (distance) P-C4' energy: -152.019 flat angles C4'-P-C4' energy: -164.538 flat angles P-C4'-P energy: -101.967 tors. eta vs tors. theta energy: -186.427 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: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1920.022018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.022018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.022018 (E_RNA) where: Base-Base interactions energy: -1297.548 where: short stacking energy: -617.269 Base-Backbone interact. energy: -2.470 local terms energy: -620.003912 where: bonds (distance) C4'-P energy: -95.486 bonds (distance) P-C4' energy: -136.926 flat angles C4'-P-C4' energy: -137.887 flat angles P-C4'-P energy: -97.237 tors. eta vs tors. theta energy: -152.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1428.775495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.775495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.775495 (E_RNA) where: Base-Base interactions energy: -890.619 where: short stacking energy: -411.472 Base-Backbone interact. energy: 0.163 local terms energy: -538.320075 where: bonds (distance) C4'-P energy: -120.551 bonds (distance) P-C4' energy: -135.248 flat angles C4'-P-C4' energy: -142.198 flat angles P-C4'-P energy: -86.167 tors. eta vs tors. theta energy: -54.156 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: 9 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1152.866741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.866741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.866741 (E_RNA) where: Base-Base interactions energy: -712.766 where: short stacking energy: -354.935 Base-Backbone interact. energy: 2.757 local terms energy: -442.858126 where: bonds (distance) C4'-P energy: -118.837 bonds (distance) P-C4' energy: -131.003 flat angles C4'-P-C4' energy: -92.244 flat angles P-C4'-P energy: -68.346 tors. eta vs tors. theta energy: -32.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3135.105840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.105840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.105840 (E_RNA) where: Base-Base interactions energy: -2181.271 where: short stacking energy: -941.660 Base-Backbone interact. energy: -2.405 local terms energy: -951.430237 where: bonds (distance) C4'-P energy: -166.287 bonds (distance) P-C4' energy: -178.050 flat angles C4'-P-C4' energy: -193.068 flat angles P-C4'-P energy: -131.155 tors. eta vs tors. theta energy: -282.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -3019.480638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.480638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.480638 (E_RNA) where: Base-Base interactions energy: -2097.570 where: short stacking energy: -919.659 Base-Backbone interact. energy: -1.597 local terms energy: -920.313393 where: bonds (distance) C4'-P energy: -147.823 bonds (distance) P-C4' energy: -169.052 flat angles C4'-P-C4' energy: -199.174 flat angles P-C4'-P energy: -129.072 tors. eta vs tors. theta energy: -275.193 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: 4 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2892.367148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.367148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.367148 (E_RNA) where: Base-Base interactions energy: -2002.264 where: short stacking energy: -889.096 Base-Backbone interact. energy: -1.940 local terms energy: -888.163240 where: bonds (distance) C4'-P energy: -162.542 bonds (distance) P-C4' energy: -157.737 flat angles C4'-P-C4' energy: -181.979 flat angles P-C4'-P energy: -128.783 tors. eta vs tors. theta energy: -257.123 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: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2832.632956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.632956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.632956 (E_RNA) where: Base-Base interactions energy: -1942.249 where: short stacking energy: -875.644 Base-Backbone interact. energy: -3.334 local terms energy: -887.049721 where: bonds (distance) C4'-P energy: -137.358 bonds (distance) P-C4' energy: -171.901 flat angles C4'-P-C4' energy: -181.783 flat angles P-C4'-P energy: -128.372 tors. eta vs tors. theta energy: -267.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2658.144538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.144538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.144538 (E_RNA) where: Base-Base interactions energy: -1828.712 where: short stacking energy: -784.557 Base-Backbone interact. energy: -3.993 local terms energy: -825.439738 where: bonds (distance) C4'-P energy: -150.585 bonds (distance) P-C4' energy: -150.644 flat angles C4'-P-C4' energy: -188.505 flat angles P-C4'-P energy: -99.639 tors. eta vs tors. theta energy: -236.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2618.308378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.308378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.308378 (E_RNA) where: Base-Base interactions energy: -1833.792 where: short stacking energy: -775.384 Base-Backbone interact. energy: -2.730 local terms energy: -781.786892 where: bonds (distance) C4'-P energy: -143.130 bonds (distance) P-C4' energy: -147.713 flat angles C4'-P-C4' energy: -176.683 flat angles P-C4'-P energy: -107.582 tors. eta vs tors. theta energy: -206.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2265.224115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.224115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.224115 (E_RNA) where: Base-Base interactions energy: -1552.945 where: short stacking energy: -679.803 Base-Backbone interact. energy: -0.938 local terms energy: -711.340903 where: bonds (distance) C4'-P energy: -120.206 bonds (distance) P-C4' energy: -155.181 flat angles C4'-P-C4' energy: -141.441 flat angles P-C4'-P energy: -120.104 tors. eta vs tors. theta energy: -174.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1984.134569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.134569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.134569 (E_RNA) where: Base-Base interactions energy: -1329.500 where: short stacking energy: -604.458 Base-Backbone interact. energy: -0.918 local terms energy: -653.716571 where: bonds (distance) C4'-P energy: -129.418 bonds (distance) P-C4' energy: -137.829 flat angles C4'-P-C4' energy: -138.583 flat angles P-C4'-P energy: -94.612 tors. eta vs tors. theta energy: -153.274 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: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1454.031083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.031083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.031083 (E_RNA) where: Base-Base interactions energy: -893.362 where: short stacking energy: -417.612 Base-Backbone interact. energy: 2.094 local terms energy: -562.762970 where: bonds (distance) C4'-P energy: -134.054 bonds (distance) P-C4' energy: -141.819 flat angles C4'-P-C4' energy: -135.553 flat angles P-C4'-P energy: -82.818 tors. eta vs tors. theta energy: -68.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1217.478194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.478194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.478194 (E_RNA) where: Base-Base interactions energy: -722.945 where: short stacking energy: -338.577 Base-Backbone interact. energy: 5.378 local terms energy: -499.910731 where: bonds (distance) C4'-P energy: -141.887 bonds (distance) P-C4' energy: -130.421 flat angles C4'-P-C4' energy: -142.472 flat angles P-C4'-P energy: -57.560 tors. eta vs tors. theta energy: -27.571 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: 3 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3134.801025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.801025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.801025 (E_RNA) where: Base-Base interactions energy: -2207.104 where: short stacking energy: -916.434 Base-Backbone interact. energy: -4.339 local terms energy: -923.357627 where: bonds (distance) C4'-P energy: -167.567 bonds (distance) P-C4' energy: -168.278 flat angles C4'-P-C4' energy: -187.091 flat angles P-C4'-P energy: -121.153 tors. eta vs tors. theta energy: -279.268 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: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -3023.809695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.809695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.809695 (E_RNA) where: Base-Base interactions energy: -2115.344 where: short stacking energy: -921.205 Base-Backbone interact. energy: -0.912 local terms energy: -907.553470 where: bonds (distance) C4'-P energy: -161.351 bonds (distance) P-C4' energy: -155.679 flat angles C4'-P-C4' energy: -194.411 flat angles P-C4'-P energy: -124.034 tors. eta vs tors. theta energy: -272.078 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: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2872.851953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.851953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.851953 (E_RNA) where: Base-Base interactions energy: -1974.451 where: short stacking energy: -862.288 Base-Backbone interact. energy: -5.269 local terms energy: -893.131789 where: bonds (distance) C4'-P energy: -159.219 bonds (distance) P-C4' energy: -161.296 flat angles C4'-P-C4' energy: -192.644 flat angles P-C4'-P energy: -119.389 tors. eta vs tors. theta energy: -260.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2819.162228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.162228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.162228 (E_RNA) where: Base-Base interactions energy: -1978.901 where: short stacking energy: -872.192 Base-Backbone interact. energy: -0.297 local terms energy: -839.963617 where: bonds (distance) C4'-P energy: -142.040 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -171.046 flat angles P-C4'-P energy: -120.457 tors. eta vs tors. theta energy: -254.363 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: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2686.301442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.301442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.301442 (E_RNA) where: Base-Base interactions energy: -1871.028 where: short stacking energy: -811.417 Base-Backbone interact. energy: -0.713 local terms energy: -814.560245 where: bonds (distance) C4'-P energy: -156.016 bonds (distance) P-C4' energy: -152.404 flat angles C4'-P-C4' energy: -166.197 flat angles P-C4'-P energy: -106.722 tors. eta vs tors. theta energy: -233.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2550.499065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.499065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.499065 (E_RNA) where: Base-Base interactions energy: -1771.513 where: short stacking energy: -748.990 Base-Backbone interact. energy: -1.200 local terms energy: -777.786514 where: bonds (distance) C4'-P energy: -136.240 bonds (distance) P-C4' energy: -146.840 flat angles C4'-P-C4' energy: -176.557 flat angles P-C4'-P energy: -102.330 tors. eta vs tors. theta energy: -215.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2228.354823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.354823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.354823 (E_RNA) where: Base-Base interactions energy: -1553.300 where: short stacking energy: -686.541 Base-Backbone interact. energy: -4.282 local terms energy: -670.772617 where: bonds (distance) C4'-P energy: -119.545 bonds (distance) P-C4' energy: -121.003 flat angles C4'-P-C4' energy: -153.571 flat angles P-C4'-P energy: -86.976 tors. eta vs tors. theta energy: -189.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1885.464374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.464374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.464374 (E_RNA) where: Base-Base interactions energy: -1224.467 where: short stacking energy: -543.814 Base-Backbone interact. energy: 0.461 local terms energy: -661.457958 where: bonds (distance) C4'-P energy: -128.026 bonds (distance) P-C4' energy: -145.399 flat angles C4'-P-C4' energy: -156.397 flat angles P-C4'-P energy: -87.158 tors. eta vs tors. theta energy: -144.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1409.209594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.209594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.209594 (E_RNA) where: Base-Base interactions energy: -878.693 where: short stacking energy: -437.202 Base-Backbone interact. energy: -0.647 local terms energy: -529.869803 where: bonds (distance) C4'-P energy: -141.390 bonds (distance) P-C4' energy: -121.323 flat angles C4'-P-C4' energy: -130.968 flat angles P-C4'-P energy: -60.480 tors. eta vs tors. theta energy: -75.710 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: 9 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1252.063467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.063467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.063467 (E_RNA) where: Base-Base interactions energy: -765.630 where: short stacking energy: -381.101 Base-Backbone interact. energy: 1.555 local terms energy: -487.988927 where: bonds (distance) C4'-P energy: -112.991 bonds (distance) P-C4' energy: -123.312 flat angles C4'-P-C4' energy: -121.864 flat angles P-C4'-P energy: -73.639 tors. eta vs tors. theta energy: -56.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3135.359280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.359280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.359280 (E_RNA) where: Base-Base interactions energy: -2220.049 where: short stacking energy: -940.398 Base-Backbone interact. energy: -4.418 local terms energy: -910.892042 where: bonds (distance) C4'-P energy: -168.962 bonds (distance) P-C4' energy: -156.609 flat angles C4'-P-C4' energy: -178.476 flat angles P-C4'-P energy: -135.326 tors. eta vs tors. theta energy: -271.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -3048.274826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.274826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.274826 (E_RNA) where: Base-Base interactions energy: -2098.626 where: short stacking energy: -905.542 Base-Backbone interact. energy: -3.394 local terms energy: -946.254342 where: bonds (distance) C4'-P energy: -170.402 bonds (distance) P-C4' energy: -176.336 flat angles C4'-P-C4' energy: -199.097 flat angles P-C4'-P energy: -140.480 tors. eta vs tors. theta energy: -259.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2879.370139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.370139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.370139 (E_RNA) where: Base-Base interactions energy: -1990.097 where: short stacking energy: -868.884 Base-Backbone interact. energy: -2.001 local terms energy: -887.272056 where: bonds (distance) C4'-P energy: -165.097 bonds (distance) P-C4' energy: -173.517 flat angles C4'-P-C4' energy: -177.494 flat angles P-C4'-P energy: -114.646 tors. eta vs tors. theta energy: -256.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2803.650553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.650553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.650553 (E_RNA) where: Base-Base interactions energy: -1951.980 where: short stacking energy: -850.848 Base-Backbone interact. energy: -3.997 local terms energy: -847.673981 where: bonds (distance) C4'-P energy: -155.335 bonds (distance) P-C4' energy: -149.960 flat angles C4'-P-C4' energy: -179.128 flat angles P-C4'-P energy: -114.410 tors. eta vs tors. theta energy: -248.842 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: 8 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2654.756017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.756017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.756017 (E_RNA) where: Base-Base interactions energy: -1834.648 where: short stacking energy: -806.899 Base-Backbone interact. energy: -3.518 local terms energy: -816.589705 where: bonds (distance) C4'-P energy: -131.093 bonds (distance) P-C4' energy: -154.647 flat angles C4'-P-C4' energy: -168.700 flat angles P-C4'-P energy: -123.675 tors. eta vs tors. theta energy: -238.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2575.071784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.071784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.071784 (E_RNA) where: Base-Base interactions energy: -1787.688 where: short stacking energy: -761.233 Base-Backbone interact. energy: -3.828 local terms energy: -783.555294 where: bonds (distance) C4'-P energy: -132.332 bonds (distance) P-C4' energy: -147.298 flat angles C4'-P-C4' energy: -175.600 flat angles P-C4'-P energy: -116.207 tors. eta vs tors. theta energy: -212.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2255.977259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.977259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.977259 (E_RNA) where: Base-Base interactions energy: -1522.496 where: short stacking energy: -694.857 Base-Backbone interact. energy: -1.726 local terms energy: -731.755982 where: bonds (distance) C4'-P energy: -119.816 bonds (distance) P-C4' energy: -160.652 flat angles C4'-P-C4' energy: -154.331 flat angles P-C4'-P energy: -111.409 tors. eta vs tors. theta energy: -185.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1882.095595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.095595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.095595 (E_RNA) where: Base-Base interactions energy: -1219.647 where: short stacking energy: -592.515 Base-Backbone interact. energy: -1.115 local terms energy: -661.333314 where: bonds (distance) C4'-P energy: -138.205 bonds (distance) P-C4' energy: -136.261 flat angles C4'-P-C4' energy: -136.122 flat angles P-C4'-P energy: -87.850 tors. eta vs tors. theta energy: -162.896 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: 9, replica: 10 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1462.857769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.857769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.857769 (E_RNA) where: Base-Base interactions energy: -881.225 where: short stacking energy: -412.152 Base-Backbone interact. energy: 0.893 local terms energy: -582.525368 where: bonds (distance) C4'-P energy: -151.211 bonds (distance) P-C4' energy: -141.726 flat angles C4'-P-C4' energy: -120.515 flat angles P-C4'-P energy: -91.398 tors. eta vs tors. theta energy: -77.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1243.598498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.598498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.598498 (E_RNA) where: Base-Base interactions energy: -724.378 where: short stacking energy: -361.134 Base-Backbone interact. energy: 2.899 local terms energy: -522.119649 where: bonds (distance) C4'-P energy: -139.702 bonds (distance) P-C4' energy: -143.445 flat angles C4'-P-C4' energy: -127.399 flat angles P-C4'-P energy: -70.202 tors. eta vs tors. theta energy: -41.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3129.979314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.979314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.979314 (E_RNA) where: Base-Base interactions energy: -2189.646 where: short stacking energy: -933.092 Base-Backbone interact. energy: -6.041 local terms energy: -934.292601 where: bonds (distance) C4'-P energy: -170.770 bonds (distance) P-C4' energy: -166.356 flat angles C4'-P-C4' energy: -186.956 flat angles P-C4'-P energy: -133.280 tors. eta vs tors. theta energy: -276.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -3042.994708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.994708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.994708 (E_RNA) where: Base-Base interactions energy: -2139.291 where: short stacking energy: -913.499 Base-Backbone interact. energy: -2.049 local terms energy: -901.654924 where: bonds (distance) C4'-P energy: -156.815 bonds (distance) P-C4' energy: -162.532 flat angles C4'-P-C4' energy: -186.241 flat angles P-C4'-P energy: -135.684 tors. eta vs tors. theta energy: -260.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2892.956820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.956820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.956820 (E_RNA) where: Base-Base interactions energy: -2021.459 where: short stacking energy: -871.903 Base-Backbone interact. energy: -0.787 local terms energy: -870.710807 where: bonds (distance) C4'-P energy: -153.450 bonds (distance) P-C4' energy: -159.779 flat angles C4'-P-C4' energy: -187.226 flat angles P-C4'-P energy: -119.862 tors. eta vs tors. theta energy: -250.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2752.919205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.919205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.919205 (E_RNA) where: Base-Base interactions energy: -1907.702 where: short stacking energy: -839.079 Base-Backbone interact. energy: -0.557 local terms energy: -844.660198 where: bonds (distance) C4'-P energy: -137.777 bonds (distance) P-C4' energy: -159.752 flat angles C4'-P-C4' energy: -188.102 flat angles P-C4'-P energy: -118.296 tors. eta vs tors. theta energy: -240.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2674.379315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.379315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.379315 (E_RNA) where: Base-Base interactions energy: -1861.060 where: short stacking energy: -845.206 Base-Backbone interact. energy: 3.591 local terms energy: -816.909692 where: bonds (distance) C4'-P energy: -134.774 bonds (distance) P-C4' energy: -151.247 flat angles C4'-P-C4' energy: -175.169 flat angles P-C4'-P energy: -115.833 tors. eta vs tors. theta energy: -239.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2526.149965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.149965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.149965 (E_RNA) where: Base-Base interactions energy: -1757.912 where: short stacking energy: -727.003 Base-Backbone interact. energy: -3.897 local terms energy: -764.340836 where: bonds (distance) C4'-P energy: -123.736 bonds (distance) P-C4' energy: -165.270 flat angles C4'-P-C4' energy: -165.104 flat angles P-C4'-P energy: -101.454 tors. eta vs tors. theta energy: -208.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2228.350220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.350220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.350220 (E_RNA) where: Base-Base interactions energy: -1519.341 where: short stacking energy: -659.637 Base-Backbone interact. energy: -0.759 local terms energy: -708.250787 where: bonds (distance) C4'-P energy: -149.275 bonds (distance) P-C4' energy: -150.223 flat angles C4'-P-C4' energy: -157.716 flat angles P-C4'-P energy: -81.156 tors. eta vs tors. theta energy: -169.881 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: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1881.280086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.280086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.280086 (E_RNA) where: Base-Base interactions energy: -1219.101 where: short stacking energy: -541.763 Base-Backbone interact. energy: 3.675 local terms energy: -665.853647 where: bonds (distance) C4'-P energy: -138.264 bonds (distance) P-C4' energy: -135.331 flat angles C4'-P-C4' energy: -163.667 flat angles P-C4'-P energy: -105.990 tors. eta vs tors. theta energy: -122.601 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: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1398.329727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.329727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.329727 (E_RNA) where: Base-Base interactions energy: -840.116 where: short stacking energy: -401.490 Base-Backbone interact. energy: -1.752 local terms energy: -556.462262 where: bonds (distance) C4'-P energy: -146.670 bonds (distance) P-C4' energy: -137.237 flat angles C4'-P-C4' energy: -123.007 flat angles P-C4'-P energy: -89.904 tors. eta vs tors. theta energy: -59.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1223.871345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.871345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.871345 (E_RNA) where: Base-Base interactions energy: -751.776 where: short stacking energy: -359.385 Base-Backbone interact. energy: -4.136 local terms energy: -467.959460 where: bonds (distance) C4'-P energy: -115.811 bonds (distance) P-C4' energy: -127.833 flat angles C4'-P-C4' energy: -126.761 flat angles P-C4'-P energy: -60.755 tors. eta vs tors. theta energy: -36.800 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: 3 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3118.478331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.478331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.478331 (E_RNA) where: Base-Base interactions energy: -2200.574 where: short stacking energy: -919.822 Base-Backbone interact. energy: 0.534 local terms energy: -918.438204 where: bonds (distance) C4'-P energy: -167.473 bonds (distance) P-C4' energy: -176.203 flat angles C4'-P-C4' energy: -186.521 flat angles P-C4'-P energy: -113.992 tors. eta vs tors. theta energy: -274.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -3007.798504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.798504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.798504 (E_RNA) where: Base-Base interactions energy: -2098.116 where: short stacking energy: -921.866 Base-Backbone interact. energy: -2.126 local terms energy: -907.556199 where: bonds (distance) C4'-P energy: -166.937 bonds (distance) P-C4' energy: -153.111 flat angles C4'-P-C4' energy: -195.283 flat angles P-C4'-P energy: -127.190 tors. eta vs tors. theta energy: -265.036 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: 4 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2855.331706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.331706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.331706 (E_RNA) where: Base-Base interactions energy: -1970.848 where: short stacking energy: -861.603 Base-Backbone interact. energy: -6.039 local terms energy: -878.444617 where: bonds (distance) C4'-P energy: -156.446 bonds (distance) P-C4' energy: -164.844 flat angles C4'-P-C4' energy: -185.875 flat angles P-C4'-P energy: -122.595 tors. eta vs tors. theta energy: -248.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2817.052498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.052498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.052498 (E_RNA) where: Base-Base interactions energy: -1931.699 where: short stacking energy: -880.182 Base-Backbone interact. energy: -1.954 local terms energy: -883.399469 where: bonds (distance) C4'-P energy: -151.544 bonds (distance) P-C4' energy: -151.523 flat angles C4'-P-C4' energy: -193.822 flat angles P-C4'-P energy: -113.564 tors. eta vs tors. theta energy: -272.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2706.481511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.481511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.481511 (E_RNA) where: Base-Base interactions energy: -1898.877 where: short stacking energy: -841.208 Base-Backbone interact. energy: -2.017 local terms energy: -805.587973 where: bonds (distance) C4'-P energy: -155.506 bonds (distance) P-C4' energy: -125.896 flat angles C4'-P-C4' energy: -169.460 flat angles P-C4'-P energy: -111.372 tors. eta vs tors. theta energy: -243.354 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: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2564.801581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.801581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.801581 (E_RNA) where: Base-Base interactions energy: -1801.080 where: short stacking energy: -781.437 Base-Backbone interact. energy: 1.898 local terms energy: -765.620150 where: bonds (distance) C4'-P energy: -151.558 bonds (distance) P-C4' energy: -141.909 flat angles C4'-P-C4' energy: -145.887 flat angles P-C4'-P energy: -90.166 tors. eta vs tors. theta energy: -236.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2223.540616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.540616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.540616 (E_RNA) where: Base-Base interactions energy: -1547.742 where: short stacking energy: -662.475 Base-Backbone interact. energy: -0.617 local terms energy: -675.182174 where: bonds (distance) C4'-P energy: -142.027 bonds (distance) P-C4' energy: -120.627 flat angles C4'-P-C4' energy: -156.584 flat angles P-C4'-P energy: -76.606 tors. eta vs tors. theta energy: -179.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1860.942156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.942156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.942156 (E_RNA) where: Base-Base interactions energy: -1238.598 where: short stacking energy: -553.057 Base-Backbone interact. energy: -2.554 local terms energy: -619.790607 where: bonds (distance) C4'-P energy: -114.438 bonds (distance) P-C4' energy: -154.230 flat angles C4'-P-C4' energy: -139.607 flat angles P-C4'-P energy: -106.564 tors. eta vs tors. theta energy: -104.952 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: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1433.705239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.705239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.705239 (E_RNA) where: Base-Base interactions energy: -887.193 where: short stacking energy: -447.532 Base-Backbone interact. energy: 7.602 local terms energy: -554.114542 where: bonds (distance) C4'-P energy: -134.260 bonds (distance) P-C4' energy: -139.836 flat angles C4'-P-C4' energy: -118.714 flat angles P-C4'-P energy: -73.715 tors. eta vs tors. theta energy: -87.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1130.551080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.551080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.551080 (E_RNA) where: Base-Base interactions energy: -660.537 where: short stacking energy: -320.467 Base-Backbone interact. energy: 6.151 local terms energy: -476.164263 where: bonds (distance) C4'-P energy: -146.144 bonds (distance) P-C4' energy: -136.238 flat angles C4'-P-C4' energy: -108.724 flat angles P-C4'-P energy: -73.710 tors. eta vs tors. theta energy: -11.348 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: 3 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3109.242141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.242141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.242141 (E_RNA) where: Base-Base interactions energy: -2171.511 where: short stacking energy: -932.187 Base-Backbone interact. energy: -4.628 local terms energy: -933.103051 where: bonds (distance) C4'-P energy: -165.335 bonds (distance) P-C4' energy: -170.423 flat angles C4'-P-C4' energy: -196.496 flat angles P-C4'-P energy: -121.101 tors. eta vs tors. theta energy: -279.747 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: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2992.662300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.662300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.662300 (E_RNA) where: Base-Base interactions energy: -2091.204 where: short stacking energy: -903.684 Base-Backbone interact. energy: -4.520 local terms energy: -896.939178 where: bonds (distance) C4'-P energy: -161.601 bonds (distance) P-C4' energy: -179.340 flat angles C4'-P-C4' energy: -180.370 flat angles P-C4'-P energy: -116.080 tors. eta vs tors. theta energy: -259.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2842.006530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.006530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.006530 (E_RNA) where: Base-Base interactions energy: -1962.418 where: short stacking energy: -839.509 Base-Backbone interact. energy: -2.365 local terms energy: -877.223688 where: bonds (distance) C4'-P energy: -158.152 bonds (distance) P-C4' energy: -173.277 flat angles C4'-P-C4' energy: -176.943 flat angles P-C4'-P energy: -128.851 tors. eta vs tors. theta energy: -240.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2781.098474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.098474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.098474 (E_RNA) where: Base-Base interactions energy: -1897.055 where: short stacking energy: -830.630 Base-Backbone interact. energy: 1.170 local terms energy: -885.212996 where: bonds (distance) C4'-P energy: -151.780 bonds (distance) P-C4' energy: -170.392 flat angles C4'-P-C4' energy: -177.878 flat angles P-C4'-P energy: -128.217 tors. eta vs tors. theta energy: -256.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2702.569873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.569873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.569873 (E_RNA) where: Base-Base interactions energy: -1914.879 where: short stacking energy: -828.133 Base-Backbone interact. energy: 1.419 local terms energy: -789.108988 where: bonds (distance) C4'-P energy: -123.532 bonds (distance) P-C4' energy: -150.703 flat angles C4'-P-C4' energy: -181.499 flat angles P-C4'-P energy: -92.893 tors. eta vs tors. theta energy: -240.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2532.600915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.600915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.600915 (E_RNA) where: Base-Base interactions energy: -1755.391 where: short stacking energy: -751.287 Base-Backbone interact. energy: -1.449 local terms energy: -775.760513 where: bonds (distance) C4'-P energy: -143.564 bonds (distance) P-C4' energy: -135.753 flat angles C4'-P-C4' energy: -165.590 flat angles P-C4'-P energy: -105.570 tors. eta vs tors. theta energy: -225.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2322.313927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.313927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.313927 (E_RNA) where: Base-Base interactions energy: -1563.380 where: short stacking energy: -713.784 Base-Backbone interact. energy: -1.247 local terms energy: -757.686568 where: bonds (distance) C4'-P energy: -135.416 bonds (distance) P-C4' energy: -156.323 flat angles C4'-P-C4' energy: -158.019 flat angles P-C4'-P energy: -116.910 tors. eta vs tors. theta energy: -191.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1852.470226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.470226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.470226 (E_RNA) where: Base-Base interactions energy: -1235.792 where: short stacking energy: -564.462 Base-Backbone interact. energy: 0.587 local terms energy: -617.264969 where: bonds (distance) C4'-P energy: -112.183 bonds (distance) P-C4' energy: -134.509 flat angles C4'-P-C4' energy: -164.942 flat angles P-C4'-P energy: -73.327 tors. eta vs tors. theta energy: -132.305 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: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1416.622784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.622784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.622784 (E_RNA) where: Base-Base interactions energy: -910.825 where: short stacking energy: -440.680 Base-Backbone interact. energy: 1.793 local terms energy: -507.591239 where: bonds (distance) C4'-P energy: -126.254 bonds (distance) P-C4' energy: -102.037 flat angles C4'-P-C4' energy: -135.496 flat angles P-C4'-P energy: -76.691 tors. eta vs tors. theta energy: -67.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1170.745197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.745197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.745197 (E_RNA) where: Base-Base interactions energy: -669.291 where: short stacking energy: -354.002 Base-Backbone interact. energy: -5.029 local terms energy: -496.425410 where: bonds (distance) C4'-P energy: -116.034 bonds (distance) P-C4' energy: -144.128 flat angles C4'-P-C4' energy: -124.689 flat angles P-C4'-P energy: -77.161 tors. eta vs tors. theta energy: -34.412 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: 328 Temperature: 0.900000 Total energy: -3120.344910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.344910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.344910 (E_RNA) where: Base-Base interactions energy: -2163.629 where: short stacking energy: -921.187 Base-Backbone interact. energy: -3.882 local terms energy: -952.833750 where: bonds (distance) C4'-P energy: -172.897 bonds (distance) P-C4' energy: -173.820 flat angles C4'-P-C4' energy: -193.219 flat angles P-C4'-P energy: -134.362 tors. eta vs tors. theta energy: -278.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2997.340834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.340834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.340834 (E_RNA) where: Base-Base interactions energy: -2118.745 where: short stacking energy: -913.810 Base-Backbone interact. energy: -1.076 local terms energy: -877.520651 where: bonds (distance) C4'-P energy: -174.576 bonds (distance) P-C4' energy: -154.795 flat angles C4'-P-C4' energy: -182.129 flat angles P-C4'-P energy: -101.669 tors. eta vs tors. theta energy: -264.352 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: 4 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2877.427824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.427824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.427824 (E_RNA) where: Base-Base interactions energy: -2001.877 where: short stacking energy: -851.119 Base-Backbone interact. energy: -1.435 local terms energy: -874.116535 where: bonds (distance) C4'-P energy: -160.197 bonds (distance) P-C4' energy: -155.588 flat angles C4'-P-C4' energy: -171.541 flat angles P-C4'-P energy: -122.889 tors. eta vs tors. theta energy: -263.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2793.918035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.918035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.918035 (E_RNA) where: Base-Base interactions energy: -1947.513 where: short stacking energy: -867.711 Base-Backbone interact. energy: -2.380 local terms energy: -844.024663 where: bonds (distance) C4'-P energy: -144.256 bonds (distance) P-C4' energy: -132.715 flat angles C4'-P-C4' energy: -180.944 flat angles P-C4'-P energy: -115.541 tors. eta vs tors. theta energy: -270.569 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: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2709.016267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.016267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.016267 (E_RNA) where: Base-Base interactions energy: -1872.291 where: short stacking energy: -816.357 Base-Backbone interact. energy: -1.473 local terms energy: -835.252427 where: bonds (distance) C4'-P energy: -136.227 bonds (distance) P-C4' energy: -155.599 flat angles C4'-P-C4' energy: -181.813 flat angles P-C4'-P energy: -120.867 tors. eta vs tors. theta energy: -240.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2598.572846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.572846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.572846 (E_RNA) where: Base-Base interactions energy: -1822.612 where: short stacking energy: -785.307 Base-Backbone interact. energy: -2.511 local terms energy: -773.449153 where: bonds (distance) C4'-P energy: -140.958 bonds (distance) P-C4' energy: -139.896 flat angles C4'-P-C4' energy: -158.751 flat angles P-C4'-P energy: -116.069 tors. eta vs tors. theta energy: -217.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2423.400963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.400963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.400963 (E_RNA) where: Base-Base interactions energy: -1700.860 where: short stacking energy: -735.172 Base-Backbone interact. energy: -4.182 local terms energy: -718.359358 where: bonds (distance) C4'-P energy: -118.899 bonds (distance) P-C4' energy: -145.416 flat angles C4'-P-C4' energy: -157.843 flat angles P-C4'-P energy: -99.609 tors. eta vs tors. theta energy: -196.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1869.530327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.530327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.530327 (E_RNA) where: Base-Base interactions energy: -1205.944 where: short stacking energy: -541.348 Base-Backbone interact. energy: 1.820 local terms energy: -665.405743 where: bonds (distance) C4'-P energy: -146.387 bonds (distance) P-C4' energy: -151.319 flat angles C4'-P-C4' energy: -156.634 flat angles P-C4'-P energy: -103.248 tors. eta vs tors. theta energy: -107.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1488.738651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.738651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.738651 (E_RNA) where: Base-Base interactions energy: -924.446 where: short stacking energy: -431.276 Base-Backbone interact. energy: 0.496 local terms energy: -564.788981 where: bonds (distance) C4'-P energy: -135.960 bonds (distance) P-C4' energy: -129.026 flat angles C4'-P-C4' energy: -137.612 flat angles P-C4'-P energy: -88.267 tors. eta vs tors. theta energy: -73.924 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: 9 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1191.570398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.570398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.570398 (E_RNA) where: Base-Base interactions energy: -715.553 where: short stacking energy: -351.635 Base-Backbone interact. energy: 2.501 local terms energy: -478.519196 where: bonds (distance) C4'-P energy: -143.129 bonds (distance) P-C4' energy: -121.758 flat angles C4'-P-C4' energy: -119.352 flat angles P-C4'-P energy: -60.995 tors. eta vs tors. theta energy: -33.285 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: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3121.472696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.472696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.472696 (E_RNA) where: Base-Base interactions energy: -2171.406 where: short stacking energy: -938.604 Base-Backbone interact. energy: -5.689 local terms energy: -944.377673 where: bonds (distance) C4'-P energy: -163.919 bonds (distance) P-C4' energy: -177.605 flat angles C4'-P-C4' energy: -201.396 flat angles P-C4'-P energy: -133.689 tors. eta vs tors. theta energy: -267.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -3064.615265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.615265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.615265 (E_RNA) where: Base-Base interactions energy: -2157.752 where: short stacking energy: -941.491 Base-Backbone interact. energy: -3.364 local terms energy: -903.499796 where: bonds (distance) C4'-P energy: -163.798 bonds (distance) P-C4' energy: -167.789 flat angles C4'-P-C4' energy: -178.971 flat angles P-C4'-P energy: -126.027 tors. eta vs tors. theta energy: -266.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2886.002823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.002823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.002823 (E_RNA) where: Base-Base interactions energy: -2041.876 where: short stacking energy: -897.972 Base-Backbone interact. energy: 6.266 local terms energy: -850.393307 where: bonds (distance) C4'-P energy: -129.967 bonds (distance) P-C4' energy: -157.656 flat angles C4'-P-C4' energy: -183.072 flat angles P-C4'-P energy: -118.438 tors. eta vs tors. theta energy: -261.260 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: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2746.733138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.733138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.733138 (E_RNA) where: Base-Base interactions energy: -1920.627 where: short stacking energy: -808.984 Base-Backbone interact. energy: -2.481 local terms energy: -823.625579 where: bonds (distance) C4'-P energy: -145.918 bonds (distance) P-C4' energy: -139.247 flat angles C4'-P-C4' energy: -193.136 flat angles P-C4'-P energy: -112.887 tors. eta vs tors. theta energy: -232.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2735.608257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.608257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.608257 (E_RNA) where: Base-Base interactions energy: -1887.613 where: short stacking energy: -839.739 Base-Backbone interact. energy: -1.925 local terms energy: -846.069900 where: bonds (distance) C4'-P energy: -148.636 bonds (distance) P-C4' energy: -147.425 flat angles C4'-P-C4' energy: -176.583 flat angles P-C4'-P energy: -120.593 tors. eta vs tors. theta energy: -252.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2561.594226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.594226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.594226 (E_RNA) where: Base-Base interactions energy: -1775.397 where: short stacking energy: -756.080 Base-Backbone interact. energy: -0.995 local terms energy: -785.202031 where: bonds (distance) C4'-P energy: -135.530 bonds (distance) P-C4' energy: -153.492 flat angles C4'-P-C4' energy: -170.966 flat angles P-C4'-P energy: -108.872 tors. eta vs tors. theta energy: -216.342 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: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2344.959774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.959774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.959774 (E_RNA) where: Base-Base interactions energy: -1584.096 where: short stacking energy: -668.608 Base-Backbone interact. energy: -0.057 local terms energy: -760.806181 where: bonds (distance) C4'-P energy: -151.631 bonds (distance) P-C4' energy: -173.737 flat angles C4'-P-C4' energy: -154.917 flat angles P-C4'-P energy: -101.656 tors. eta vs tors. theta energy: -178.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1964.597276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.597276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.597276 (E_RNA) where: Base-Base interactions energy: -1315.171 where: short stacking energy: -609.202 Base-Backbone interact. energy: -2.544 local terms energy: -646.882184 where: bonds (distance) C4'-P energy: -118.326 bonds (distance) P-C4' energy: -152.465 flat angles C4'-P-C4' energy: -159.642 flat angles P-C4'-P energy: -88.553 tors. eta vs tors. theta energy: -127.896 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: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1550.972866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.972866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.972866 (E_RNA) where: Base-Base interactions energy: -986.271 where: short stacking energy: -471.714 Base-Backbone interact. energy: -4.802 local terms energy: -559.899874 where: bonds (distance) C4'-P energy: -138.595 bonds (distance) P-C4' energy: -138.709 flat angles C4'-P-C4' energy: -127.835 flat angles P-C4'-P energy: -70.337 tors. eta vs tors. theta energy: -84.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1235.033597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.033597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.033597 (E_RNA) where: Base-Base interactions energy: -741.242 where: short stacking energy: -344.453 Base-Backbone interact. energy: 2.559 local terms energy: -496.349797 where: bonds (distance) C4'-P energy: -125.895 bonds (distance) P-C4' energy: -135.391 flat angles C4'-P-C4' energy: -120.450 flat angles P-C4'-P energy: -85.169 tors. eta vs tors. theta energy: -29.444 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: 3 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3114.388677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.388677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.388677 (E_RNA) where: Base-Base interactions energy: -2202.990 where: short stacking energy: -918.677 Base-Backbone interact. energy: -3.011 local terms energy: -908.387255 where: bonds (distance) C4'-P energy: -152.980 bonds (distance) P-C4' energy: -165.974 flat angles C4'-P-C4' energy: -191.181 flat angles P-C4'-P energy: -129.105 tors. eta vs tors. theta energy: -269.147 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: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -3034.379871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.379871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.379871 (E_RNA) where: Base-Base interactions energy: -2114.562 where: short stacking energy: -887.331 Base-Backbone interact. energy: -1.760 local terms energy: -918.058337 where: bonds (distance) C4'-P energy: -162.350 bonds (distance) P-C4' energy: -164.795 flat angles C4'-P-C4' energy: -188.535 flat angles P-C4'-P energy: -125.722 tors. eta vs tors. theta energy: -276.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2889.094154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.094154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.094154 (E_RNA) where: Base-Base interactions energy: -2011.859 where: short stacking energy: -879.370 Base-Backbone interact. energy: -4.666 local terms energy: -872.568803 where: bonds (distance) C4'-P energy: -154.372 bonds (distance) P-C4' energy: -157.636 flat angles C4'-P-C4' energy: -183.305 flat angles P-C4'-P energy: -123.553 tors. eta vs tors. theta energy: -253.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2749.290612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.290612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.290612 (E_RNA) where: Base-Base interactions energy: -1969.949 where: short stacking energy: -849.558 Base-Backbone interact. energy: -1.044 local terms energy: -778.297727 where: bonds (distance) C4'-P energy: -128.915 bonds (distance) P-C4' energy: -132.028 flat angles C4'-P-C4' energy: -177.340 flat angles P-C4'-P energy: -112.476 tors. eta vs tors. theta energy: -227.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2721.760306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.760306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.760306 (E_RNA) where: Base-Base interactions energy: -1873.075 where: short stacking energy: -835.793 Base-Backbone interact. energy: -1.807 local terms energy: -846.878734 where: bonds (distance) C4'-P energy: -138.070 bonds (distance) P-C4' energy: -158.556 flat angles C4'-P-C4' energy: -174.745 flat angles P-C4'-P energy: -128.301 tors. eta vs tors. theta energy: -247.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2524.526074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.526074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.526074 (E_RNA) where: Base-Base interactions energy: -1772.633 where: short stacking energy: -764.423 Base-Backbone interact. energy: -1.538 local terms energy: -750.355714 where: bonds (distance) C4'-P energy: -130.616 bonds (distance) P-C4' energy: -144.403 flat angles C4'-P-C4' energy: -161.835 flat angles P-C4'-P energy: -100.232 tors. eta vs tors. theta energy: -213.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2292.174779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.174779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.174779 (E_RNA) where: Base-Base interactions energy: -1581.599 where: short stacking energy: -688.983 Base-Backbone interact. energy: -0.254 local terms energy: -710.321396 where: bonds (distance) C4'-P energy: -141.526 bonds (distance) P-C4' energy: -141.831 flat angles C4'-P-C4' energy: -158.811 flat angles P-C4'-P energy: -97.635 tors. eta vs tors. theta energy: -170.517 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: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1897.828704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.828704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.828704 (E_RNA) where: Base-Base interactions energy: -1286.709 where: short stacking energy: -567.240 Base-Backbone interact. energy: -3.352 local terms energy: -607.767748 where: bonds (distance) C4'-P energy: -126.140 bonds (distance) P-C4' energy: -136.230 flat angles C4'-P-C4' energy: -131.279 flat angles P-C4'-P energy: -93.729 tors. eta vs tors. theta energy: -120.390 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: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1568.171308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.171308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.171308 (E_RNA) where: Base-Base interactions energy: -996.173 where: short stacking energy: -480.337 Base-Backbone interact. energy: 1.655 local terms energy: -573.653694 where: bonds (distance) C4'-P energy: -141.735 bonds (distance) P-C4' energy: -132.461 flat angles C4'-P-C4' energy: -153.694 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: -79.986 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: 10, replica: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1242.605068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.605068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.605068 (E_RNA) where: Base-Base interactions energy: -771.811 where: short stacking energy: -361.928 Base-Backbone interact. energy: -0.666 local terms energy: -470.127936 where: bonds (distance) C4'-P energy: -110.340 bonds (distance) P-C4' energy: -135.692 flat angles C4'-P-C4' energy: -127.899 flat angles P-C4'-P energy: -61.936 tors. eta vs tors. theta energy: -34.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3121.659158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.659158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.659158 (E_RNA) where: Base-Base interactions energy: -2155.585 where: short stacking energy: -899.058 Base-Backbone interact. energy: -1.125 local terms energy: -964.949066 where: bonds (distance) C4'-P energy: -180.306 bonds (distance) P-C4' energy: -182.785 flat angles C4'-P-C4' energy: -202.321 flat angles P-C4'-P energy: -125.602 tors. eta vs tors. theta energy: -273.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2996.172960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.172960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.172960 (E_RNA) where: Base-Base interactions energy: -2091.710 where: short stacking energy: -914.727 Base-Backbone interact. energy: -3.838 local terms energy: -900.624522 where: bonds (distance) C4'-P energy: -157.904 bonds (distance) P-C4' energy: -163.322 flat angles C4'-P-C4' energy: -180.964 flat angles P-C4'-P energy: -127.416 tors. eta vs tors. theta energy: -271.018 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: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2870.505360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.505360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.505360 (E_RNA) where: Base-Base interactions energy: -2001.148 where: short stacking energy: -840.018 Base-Backbone interact. energy: -1.688 local terms energy: -867.669609 where: bonds (distance) C4'-P energy: -149.955 bonds (distance) P-C4' energy: -160.782 flat angles C4'-P-C4' energy: -180.022 flat angles P-C4'-P energy: -128.755 tors. eta vs tors. theta energy: -248.155 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: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2779.768649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.768649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.768649 (E_RNA) where: Base-Base interactions energy: -1921.027 where: short stacking energy: -851.212 Base-Backbone interact. energy: -4.079 local terms energy: -854.662822 where: bonds (distance) C4'-P energy: -155.928 bonds (distance) P-C4' energy: -159.927 flat angles C4'-P-C4' energy: -186.990 flat angles P-C4'-P energy: -98.658 tors. eta vs tors. theta energy: -253.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2717.355341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.355341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.355341 (E_RNA) where: Base-Base interactions energy: -1874.394 where: short stacking energy: -815.587 Base-Backbone interact. energy: -0.412 local terms energy: -842.549530 where: bonds (distance) C4'-P energy: -148.237 bonds (distance) P-C4' energy: -152.566 flat angles C4'-P-C4' energy: -180.564 flat angles P-C4'-P energy: -103.717 tors. eta vs tors. theta energy: -257.466 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: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2533.937677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.937677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.937677 (E_RNA) where: Base-Base interactions energy: -1782.159 where: short stacking energy: -790.814 Base-Backbone interact. energy: 1.244 local terms energy: -753.022857 where: bonds (distance) C4'-P energy: -116.578 bonds (distance) P-C4' energy: -153.791 flat angles C4'-P-C4' energy: -167.857 flat angles P-C4'-P energy: -97.057 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: 7, replica: 6 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2329.029075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.029075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.029075 (E_RNA) where: Base-Base interactions energy: -1625.672 where: short stacking energy: -702.117 Base-Backbone interact. energy: -1.330 local terms energy: -702.026654 where: bonds (distance) C4'-P energy: -112.896 bonds (distance) P-C4' energy: -152.544 flat angles C4'-P-C4' energy: -150.500 flat angles P-C4'-P energy: -109.370 tors. eta vs tors. theta energy: -176.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1915.787591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.787591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.787591 (E_RNA) where: Base-Base interactions energy: -1284.789 where: short stacking energy: -588.887 Base-Backbone interact. energy: -1.794 local terms energy: -629.204728 where: bonds (distance) C4'-P energy: -144.541 bonds (distance) P-C4' energy: -150.116 flat angles C4'-P-C4' energy: -127.376 flat angles P-C4'-P energy: -72.246 tors. eta vs tors. theta energy: -134.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1598.560332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.560332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.560332 (E_RNA) where: Base-Base interactions energy: -1028.246 where: short stacking energy: -490.736 Base-Backbone interact. energy: 2.744 local terms energy: -573.058511 where: bonds (distance) C4'-P energy: -113.317 bonds (distance) P-C4' energy: -135.578 flat angles C4'-P-C4' energy: -136.619 flat angles P-C4'-P energy: -87.501 tors. eta vs tors. theta energy: -100.044 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: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1238.450702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.450702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.450702 (E_RNA) where: Base-Base interactions energy: -741.651 where: short stacking energy: -357.130 Base-Backbone interact. energy: 7.689 local terms energy: -504.487926 where: bonds (distance) C4'-P energy: -142.403 bonds (distance) P-C4' energy: -142.593 flat angles C4'-P-C4' energy: -113.536 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: -47.450 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: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3137.173585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.173585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.173585 (E_RNA) where: Base-Base interactions energy: -2203.007 where: short stacking energy: -934.355 Base-Backbone interact. energy: -3.934 local terms energy: -930.233182 where: bonds (distance) C4'-P energy: -158.009 bonds (distance) P-C4' energy: -175.299 flat angles C4'-P-C4' energy: -191.060 flat angles P-C4'-P energy: -124.694 tors. eta vs tors. theta energy: -281.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -3038.806534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.806534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.806534 (E_RNA) where: Base-Base interactions energy: -2109.018 where: short stacking energy: -914.898 Base-Backbone interact. energy: -5.441 local terms energy: -924.347939 where: bonds (distance) C4'-P energy: -165.528 bonds (distance) P-C4' energy: -156.848 flat angles C4'-P-C4' energy: -185.810 flat angles P-C4'-P energy: -135.109 tors. eta vs tors. theta energy: -281.053 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: 3, replica: 4 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2883.279775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.279775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.279775 (E_RNA) where: Base-Base interactions energy: -1999.402 where: short stacking energy: -863.358 Base-Backbone interact. energy: -2.549 local terms energy: -881.328565 where: bonds (distance) C4'-P energy: -156.604 bonds (distance) P-C4' energy: -149.934 flat angles C4'-P-C4' energy: -175.822 flat angles P-C4'-P energy: -133.226 tors. eta vs tors. theta energy: -265.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2776.549284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.549284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.549284 (E_RNA) where: Base-Base interactions energy: -1940.088 where: short stacking energy: -832.763 Base-Backbone interact. energy: -3.533 local terms energy: -832.928072 where: bonds (distance) C4'-P energy: -137.656 bonds (distance) P-C4' energy: -172.125 flat angles C4'-P-C4' energy: -175.319 flat angles P-C4'-P energy: -114.213 tors. eta vs tors. theta energy: -233.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2705.863186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.863186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.863186 (E_RNA) where: Base-Base interactions energy: -1915.033 where: short stacking energy: -834.066 Base-Backbone interact. energy: -6.159 local terms energy: -784.670925 where: bonds (distance) C4'-P energy: -132.755 bonds (distance) P-C4' energy: -125.516 flat angles C4'-P-C4' energy: -171.049 flat angles P-C4'-P energy: -103.314 tors. eta vs tors. theta energy: -252.037 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: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2575.743371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.743371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.743371 (E_RNA) where: Base-Base interactions energy: -1801.409 where: short stacking energy: -803.162 Base-Backbone interact. energy: -0.530 local terms energy: -773.804448 where: bonds (distance) C4'-P energy: -128.851 bonds (distance) P-C4' energy: -152.561 flat angles C4'-P-C4' energy: -174.511 flat angles P-C4'-P energy: -112.365 tors. eta vs tors. theta energy: -205.518 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: 6 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2309.430135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.430135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.430135 (E_RNA) where: Base-Base interactions energy: -1604.456 where: short stacking energy: -702.172 Base-Backbone interact. energy: -2.260 local terms energy: -702.714797 where: bonds (distance) C4'-P energy: -136.800 bonds (distance) P-C4' energy: -147.046 flat angles C4'-P-C4' energy: -149.058 flat angles P-C4'-P energy: -101.239 tors. eta vs tors. theta energy: -168.571 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: 8, replica: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1933.281744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.281744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.281744 (E_RNA) where: Base-Base interactions energy: -1297.150 where: short stacking energy: -591.067 Base-Backbone interact. energy: -0.257 local terms energy: -635.875061 where: bonds (distance) C4'-P energy: -128.265 bonds (distance) P-C4' energy: -115.268 flat angles C4'-P-C4' energy: -153.391 flat angles P-C4'-P energy: -100.905 tors. eta vs tors. theta energy: -138.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1520.256621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.256621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.256621 (E_RNA) where: Base-Base interactions energy: -972.044 where: short stacking energy: -436.392 Base-Backbone interact. energy: 6.508 local terms energy: -554.720518 where: bonds (distance) C4'-P energy: -122.576 bonds (distance) P-C4' energy: -135.356 flat angles C4'-P-C4' energy: -118.686 flat angles P-C4'-P energy: -95.654 tors. eta vs tors. theta energy: -82.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1178.754231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.754231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.754231 (E_RNA) where: Base-Base interactions energy: -694.111 where: short stacking energy: -336.335 Base-Backbone interact. energy: -2.713 local terms energy: -481.929972 where: bonds (distance) C4'-P energy: -123.570 bonds (distance) P-C4' energy: -115.161 flat angles C4'-P-C4' energy: -135.407 flat angles P-C4'-P energy: -83.841 tors. eta vs tors. theta energy: -23.951 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: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3113.389262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.389262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.389262 (E_RNA) where: Base-Base interactions energy: -2205.328 where: short stacking energy: -949.564 Base-Backbone interact. energy: -6.192 local terms energy: -901.869070 where: bonds (distance) C4'-P energy: -151.187 bonds (distance) P-C4' energy: -148.136 flat angles C4'-P-C4' energy: -193.258 flat angles P-C4'-P energy: -136.752 tors. eta vs tors. theta energy: -272.535 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: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -3015.795191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.795191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.795191 (E_RNA) where: Base-Base interactions energy: -2118.933 where: short stacking energy: -952.108 Base-Backbone interact. energy: -3.812 local terms energy: -893.050980 where: bonds (distance) C4'-P energy: -158.795 bonds (distance) P-C4' energy: -159.176 flat angles C4'-P-C4' energy: -184.168 flat angles P-C4'-P energy: -120.781 tors. eta vs tors. theta energy: -270.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2908.117011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.117011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.117011 (E_RNA) where: Base-Base interactions energy: -2027.701 where: short stacking energy: -907.168 Base-Backbone interact. energy: -0.546 local terms energy: -879.869955 where: bonds (distance) C4'-P energy: -164.893 bonds (distance) P-C4' energy: -150.865 flat angles C4'-P-C4' energy: -189.546 flat angles P-C4'-P energy: -120.200 tors. eta vs tors. theta energy: -254.366 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: 4, replica: 8 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2811.661798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.661798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.661798 (E_RNA) where: Base-Base interactions energy: -1956.111 where: short stacking energy: -836.154 Base-Backbone interact. energy: -5.720 local terms energy: -849.831087 where: bonds (distance) C4'-P energy: -137.665 bonds (distance) P-C4' energy: -155.559 flat angles C4'-P-C4' energy: -169.392 flat angles P-C4'-P energy: -139.370 tors. eta vs tors. theta energy: -247.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2766.671960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.671960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.671960 (E_RNA) where: Base-Base interactions energy: -1930.636 where: short stacking energy: -836.594 Base-Backbone interact. energy: -4.026 local terms energy: -832.009603 where: bonds (distance) C4'-P energy: -143.243 bonds (distance) P-C4' energy: -162.372 flat angles C4'-P-C4' energy: -178.789 flat angles P-C4'-P energy: -107.691 tors. eta vs tors. theta energy: -239.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2566.368659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.368659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.368659 (E_RNA) where: Base-Base interactions energy: -1747.903 where: short stacking energy: -746.927 Base-Backbone interact. energy: 10.070 local terms energy: -828.535030 where: bonds (distance) C4'-P energy: -154.605 bonds (distance) P-C4' energy: -147.619 flat angles C4'-P-C4' energy: -178.799 flat angles P-C4'-P energy: -129.343 tors. eta vs tors. theta energy: -218.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2400.189778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.189778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.189778 (E_RNA) where: Base-Base interactions energy: -1642.559 where: short stacking energy: -707.813 Base-Backbone interact. energy: -2.340 local terms energy: -755.290761 where: bonds (distance) C4'-P energy: -135.285 bonds (distance) P-C4' energy: -160.639 flat angles C4'-P-C4' energy: -162.644 flat angles P-C4'-P energy: -117.852 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: 8, replica: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1980.036970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.036970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.036970 (E_RNA) where: Base-Base interactions energy: -1298.465 where: short stacking energy: -590.395 Base-Backbone interact. energy: 4.531 local terms energy: -686.102866 where: bonds (distance) C4'-P energy: -132.449 bonds (distance) P-C4' energy: -153.681 flat angles C4'-P-C4' energy: -168.283 flat angles P-C4'-P energy: -98.249 tors. eta vs tors. theta energy: -133.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1593.428485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.428485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.428485 (E_RNA) where: Base-Base interactions energy: -1027.792 where: short stacking energy: -483.733 Base-Backbone interact. energy: -0.485 local terms energy: -565.152069 where: bonds (distance) C4'-P energy: -117.772 bonds (distance) P-C4' energy: -134.923 flat angles C4'-P-C4' energy: -139.857 flat angles P-C4'-P energy: -76.223 tors. eta vs tors. theta energy: -96.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1243.123668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.123668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.123668 (E_RNA) where: Base-Base interactions energy: -748.179 where: short stacking energy: -374.845 Base-Backbone interact. energy: -0.002 local terms energy: -494.942509 where: bonds (distance) C4'-P energy: -120.120 bonds (distance) P-C4' energy: -126.696 flat angles C4'-P-C4' energy: -127.625 flat angles P-C4'-P energy: -76.661 tors. eta vs tors. theta energy: -43.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3131.753941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.753941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.753941 (E_RNA) where: Base-Base interactions energy: -2188.097 where: short stacking energy: -923.367 Base-Backbone interact. energy: 2.481 local terms energy: -946.138386 where: bonds (distance) C4'-P energy: -173.070 bonds (distance) P-C4' energy: -174.451 flat angles C4'-P-C4' energy: -199.468 flat angles P-C4'-P energy: -125.574 tors. eta vs tors. theta energy: -273.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -3028.506903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.506903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.506903 (E_RNA) where: Base-Base interactions energy: -2097.585 where: short stacking energy: -916.121 Base-Backbone interact. energy: -4.957 local terms energy: -925.965005 where: bonds (distance) C4'-P energy: -173.614 bonds (distance) P-C4' energy: -166.235 flat angles C4'-P-C4' energy: -182.567 flat angles P-C4'-P energy: -139.411 tors. eta vs tors. theta energy: -264.137 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: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2907.985678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.985678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.985678 (E_RNA) where: Base-Base interactions energy: -2045.162 where: short stacking energy: -918.803 Base-Backbone interact. energy: -0.703 local terms energy: -862.120019 where: bonds (distance) C4'-P energy: -148.710 bonds (distance) P-C4' energy: -158.395 flat angles C4'-P-C4' energy: -183.526 flat angles P-C4'-P energy: -115.206 tors. eta vs tors. theta energy: -256.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2817.151599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.151599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.151599 (E_RNA) where: Base-Base interactions energy: -1962.285 where: short stacking energy: -842.213 Base-Backbone interact. energy: 0.154 local terms energy: -855.020042 where: bonds (distance) C4'-P energy: -151.846 bonds (distance) P-C4' energy: -170.536 flat angles C4'-P-C4' energy: -180.395 flat angles P-C4'-P energy: -118.222 tors. eta vs tors. theta energy: -234.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2735.617724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.617724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.617724 (E_RNA) where: Base-Base interactions energy: -1888.756 where: short stacking energy: -851.574 Base-Backbone interact. energy: -3.627 local terms energy: -843.234776 where: bonds (distance) C4'-P energy: -151.147 bonds (distance) P-C4' energy: -154.306 flat angles C4'-P-C4' energy: -178.578 flat angles P-C4'-P energy: -111.548 tors. eta vs tors. theta energy: -247.656 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: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2557.694921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.694921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.694921 (E_RNA) where: Base-Base interactions energy: -1792.321 where: short stacking energy: -774.654 Base-Backbone interact. energy: 8.185 local terms energy: -773.558816 where: bonds (distance) C4'-P energy: -134.764 bonds (distance) P-C4' energy: -142.256 flat angles C4'-P-C4' energy: -159.238 flat angles P-C4'-P energy: -109.123 tors. eta vs tors. theta energy: -228.178 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: 7, replica: 6 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2321.218222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.218222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.218222 (E_RNA) where: Base-Base interactions energy: -1607.740 where: short stacking energy: -688.173 Base-Backbone interact. energy: -3.042 local terms energy: -710.436132 where: bonds (distance) C4'-P energy: -142.828 bonds (distance) P-C4' energy: -140.058 flat angles C4'-P-C4' energy: -143.842 flat angles P-C4'-P energy: -86.491 tors. eta vs tors. theta energy: -197.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1956.685531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.685531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.685531 (E_RNA) where: Base-Base interactions energy: -1306.942 where: short stacking energy: -602.535 Base-Backbone interact. energy: -0.885 local terms energy: -648.858609 where: bonds (distance) C4'-P energy: -150.296 bonds (distance) P-C4' energy: -140.079 flat angles C4'-P-C4' energy: -140.716 flat angles P-C4'-P energy: -91.708 tors. eta vs tors. theta energy: -126.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1623.102747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.102747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.102747 (E_RNA) where: Base-Base interactions energy: -1044.229 where: short stacking energy: -484.681 Base-Backbone interact. energy: -4.300 local terms energy: -574.574044 where: bonds (distance) C4'-P energy: -134.666 bonds (distance) P-C4' energy: -134.396 flat angles C4'-P-C4' energy: -150.372 flat angles P-C4'-P energy: -79.969 tors. eta vs tors. theta energy: -75.171 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: 9 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1093.046338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.046338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.046338 (E_RNA) where: Base-Base interactions energy: -635.002 where: short stacking energy: -323.828 Base-Backbone interact. energy: -2.342 local terms energy: -455.702616 where: bonds (distance) C4'-P energy: -144.085 bonds (distance) P-C4' energy: -133.349 flat angles C4'-P-C4' energy: -104.914 flat angles P-C4'-P energy: -58.306 tors. eta vs tors. theta energy: -15.048 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: 3 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3121.334154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.334154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.334154 (E_RNA) where: Base-Base interactions energy: -2201.980 where: short stacking energy: -936.147 Base-Backbone interact. energy: -6.574 local terms energy: -912.780368 where: bonds (distance) C4'-P energy: -167.491 bonds (distance) P-C4' energy: -167.366 flat angles C4'-P-C4' energy: -176.573 flat angles P-C4'-P energy: -127.057 tors. eta vs tors. theta energy: -274.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -3019.353404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.353404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.353404 (E_RNA) where: Base-Base interactions energy: -2103.818 where: short stacking energy: -915.969 Base-Backbone interact. energy: -2.333 local terms energy: -913.202616 where: bonds (distance) C4'-P energy: -157.124 bonds (distance) P-C4' energy: -156.383 flat angles C4'-P-C4' energy: -187.352 flat angles P-C4'-P energy: -127.512 tors. eta vs tors. theta energy: -284.831 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: 4 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2861.431287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.431287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.431287 (E_RNA) where: Base-Base interactions energy: -1984.572 where: short stacking energy: -888.089 Base-Backbone interact. energy: -2.377 local terms energy: -874.481874 where: bonds (distance) C4'-P energy: -162.573 bonds (distance) P-C4' energy: -149.260 flat angles C4'-P-C4' energy: -180.867 flat angles P-C4'-P energy: -123.419 tors. eta vs tors. theta energy: -258.362 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: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2824.596617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.596617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.596617 (E_RNA) where: Base-Base interactions energy: -1992.721 where: short stacking energy: -886.260 Base-Backbone interact. energy: -1.173 local terms energy: -830.701801 where: bonds (distance) C4'-P energy: -142.444 bonds (distance) P-C4' energy: -151.600 flat angles C4'-P-C4' energy: -192.309 flat angles P-C4'-P energy: -97.825 tors. eta vs tors. theta energy: -246.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2741.843128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.843128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.843128 (E_RNA) where: Base-Base interactions energy: -1909.918 where: short stacking energy: -829.124 Base-Backbone interact. energy: 0.050 local terms energy: -831.975598 where: bonds (distance) C4'-P energy: -142.579 bonds (distance) P-C4' energy: -153.298 flat angles C4'-P-C4' energy: -178.490 flat angles P-C4'-P energy: -104.913 tors. eta vs tors. theta energy: -252.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2566.276709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.276709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.276709 (E_RNA) where: Base-Base interactions energy: -1786.071 where: short stacking energy: -779.738 Base-Backbone interact. energy: 6.671 local terms energy: -786.876754 where: bonds (distance) C4'-P energy: -128.477 bonds (distance) P-C4' energy: -146.252 flat angles C4'-P-C4' energy: -181.940 flat angles P-C4'-P energy: -110.513 tors. eta vs tors. theta energy: -219.696 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: 6 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2352.875267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.875267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.875267 (E_RNA) where: Base-Base interactions energy: -1643.677 where: short stacking energy: -726.359 Base-Backbone interact. energy: -1.189 local terms energy: -708.009016 where: bonds (distance) C4'-P energy: -110.398 bonds (distance) P-C4' energy: -136.581 flat angles C4'-P-C4' energy: -156.320 flat angles P-C4'-P energy: -100.410 tors. eta vs tors. theta energy: -204.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1870.375768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.375768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.375768 (E_RNA) where: Base-Base interactions energy: -1250.469 where: short stacking energy: -593.071 Base-Backbone interact. energy: -0.493 local terms energy: -619.413773 where: bonds (distance) C4'-P energy: -129.840 bonds (distance) P-C4' energy: -137.357 flat angles C4'-P-C4' energy: -125.212 flat angles P-C4'-P energy: -94.181 tors. eta vs tors. theta energy: -132.824 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: 9, replica: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1685.504222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.504222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.504222 (E_RNA) where: Base-Base interactions energy: -1121.940 where: short stacking energy: -517.631 Base-Backbone interact. energy: 3.262 local terms energy: -566.826131 where: bonds (distance) C4'-P energy: -129.336 bonds (distance) P-C4' energy: -107.905 flat angles C4'-P-C4' energy: -145.772 flat angles P-C4'-P energy: -82.524 tors. eta vs tors. theta energy: -101.290 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: 10, replica: 9 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1111.772882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.772882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.772882 (E_RNA) where: Base-Base interactions energy: -632.160 where: short stacking energy: -321.398 Base-Backbone interact. energy: -2.978 local terms energy: -476.634567 where: bonds (distance) C4'-P energy: -127.168 bonds (distance) P-C4' energy: -138.677 flat angles C4'-P-C4' energy: -119.560 flat angles P-C4'-P energy: -66.282 tors. eta vs tors. theta energy: -24.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3127.550643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.550643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.550643 (E_RNA) where: Base-Base interactions energy: -2193.379 where: short stacking energy: -934.741 Base-Backbone interact. energy: -4.232 local terms energy: -929.940051 where: bonds (distance) C4'-P energy: -168.172 bonds (distance) P-C4' energy: -160.276 flat angles C4'-P-C4' energy: -190.475 flat angles P-C4'-P energy: -136.553 tors. eta vs tors. theta energy: -274.464 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: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2971.590841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.590841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.590841 (E_RNA) where: Base-Base interactions energy: -2058.337 where: short stacking energy: -919.590 Base-Backbone interact. energy: -1.131 local terms energy: -912.123520 where: bonds (distance) C4'-P energy: -159.263 bonds (distance) P-C4' energy: -158.510 flat angles C4'-P-C4' energy: -188.665 flat angles P-C4'-P energy: -135.786 tors. eta vs tors. theta energy: -269.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2882.530530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.530530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.530530 (E_RNA) where: Base-Base interactions energy: -2017.623 where: short stacking energy: -888.283 Base-Backbone interact. energy: -0.574 local terms energy: -864.333374 where: bonds (distance) C4'-P energy: -140.632 bonds (distance) P-C4' energy: -166.215 flat angles C4'-P-C4' energy: -177.204 flat angles P-C4'-P energy: -134.022 tors. eta vs tors. theta energy: -246.261 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: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2804.954804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.954804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.954804 (E_RNA) where: Base-Base interactions energy: -1978.134 where: short stacking energy: -888.933 Base-Backbone interact. energy: -3.080 local terms energy: -823.741191 where: bonds (distance) C4'-P energy: -141.330 bonds (distance) P-C4' energy: -146.155 flat angles C4'-P-C4' energy: -167.500 flat angles P-C4'-P energy: -123.570 tors. eta vs tors. theta energy: -245.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2741.426045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.426045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.426045 (E_RNA) where: Base-Base interactions energy: -1897.041 where: short stacking energy: -841.769 Base-Backbone interact. energy: -3.650 local terms energy: -840.735127 where: bonds (distance) C4'-P energy: -158.316 bonds (distance) P-C4' energy: -141.238 flat angles C4'-P-C4' energy: -167.462 flat angles P-C4'-P energy: -111.956 tors. eta vs tors. theta energy: -261.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2547.614646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.614646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.614646 (E_RNA) where: Base-Base interactions energy: -1801.919 where: short stacking energy: -771.717 Base-Backbone interact. energy: 6.939 local terms energy: -752.634517 where: bonds (distance) C4'-P energy: -107.258 bonds (distance) P-C4' energy: -148.747 flat angles C4'-P-C4' energy: -171.130 flat angles P-C4'-P energy: -111.896 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: 7, replica: 6 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2388.070523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.070523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.070523 (E_RNA) where: Base-Base interactions energy: -1674.912 where: short stacking energy: -710.353 Base-Backbone interact. energy: 1.142 local terms energy: -714.301497 where: bonds (distance) C4'-P energy: -142.874 bonds (distance) P-C4' energy: -132.305 flat angles C4'-P-C4' energy: -157.637 flat angles P-C4'-P energy: -92.181 tors. eta vs tors. theta energy: -189.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1908.340473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.340473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.340473 (E_RNA) where: Base-Base interactions energy: -1238.992 where: short stacking energy: -588.069 Base-Backbone interact. energy: 3.258 local terms energy: -672.606739 where: bonds (distance) C4'-P energy: -138.157 bonds (distance) P-C4' energy: -156.652 flat angles C4'-P-C4' energy: -146.387 flat angles P-C4'-P energy: -94.210 tors. eta vs tors. theta energy: -137.200 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: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1645.127880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.127880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.127880 (E_RNA) where: Base-Base interactions energy: -1060.621 where: short stacking energy: -458.988 Base-Backbone interact. energy: -2.765 local terms energy: -581.741070 where: bonds (distance) C4'-P energy: -150.351 bonds (distance) P-C4' energy: -127.710 flat angles C4'-P-C4' energy: -128.318 flat angles P-C4'-P energy: -86.108 tors. eta vs tors. theta energy: -89.254 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: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1069.891720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.891720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.891720 (E_RNA) where: Base-Base interactions energy: -642.439 where: short stacking energy: -311.469 Base-Backbone interact. energy: 2.778 local terms energy: -430.231059 where: bonds (distance) C4'-P energy: -123.127 bonds (distance) P-C4' energy: -128.064 flat angles C4'-P-C4' energy: -111.162 flat angles P-C4'-P energy: -65.166 tors. eta vs tors. theta energy: -2.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3144.892191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.892191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.892191 (E_RNA) where: Base-Base interactions energy: -2201.497 where: short stacking energy: -925.715 Base-Backbone interact. energy: -4.137 local terms energy: -939.257486 where: bonds (distance) C4'-P energy: -178.079 bonds (distance) P-C4' energy: -151.574 flat angles C4'-P-C4' energy: -199.967 flat angles P-C4'-P energy: -126.870 tors. eta vs tors. theta energy: -282.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2978.819003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.819003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.819003 (E_RNA) where: Base-Base interactions energy: -2081.763 where: short stacking energy: -918.803 Base-Backbone interact. energy: -1.162 local terms energy: -895.893720 where: bonds (distance) C4'-P energy: -154.339 bonds (distance) P-C4' energy: -164.065 flat angles C4'-P-C4' energy: -183.886 flat angles P-C4'-P energy: -128.783 tors. eta vs tors. theta energy: -264.822 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: 3, replica: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2866.238009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.238009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.238009 (E_RNA) where: Base-Base interactions energy: -1984.215 where: short stacking energy: -833.100 Base-Backbone interact. energy: -3.939 local terms energy: -878.083613 where: bonds (distance) C4'-P energy: -158.310 bonds (distance) P-C4' energy: -170.450 flat angles C4'-P-C4' energy: -176.855 flat angles P-C4'-P energy: -131.451 tors. eta vs tors. theta energy: -241.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2817.752162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.752162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.752162 (E_RNA) where: Base-Base interactions energy: -1916.802 where: short stacking energy: -845.826 Base-Backbone interact. energy: -3.141 local terms energy: -897.808679 where: bonds (distance) C4'-P energy: -155.748 bonds (distance) P-C4' energy: -158.608 flat angles C4'-P-C4' energy: -189.560 flat angles P-C4'-P energy: -136.870 tors. eta vs tors. theta energy: -257.024 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: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2767.482901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.482901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.482901 (E_RNA) where: Base-Base interactions energy: -1915.219 where: short stacking energy: -858.530 Base-Backbone interact. energy: -3.132 local terms energy: -849.132477 where: bonds (distance) C4'-P energy: -148.491 bonds (distance) P-C4' energy: -162.402 flat angles C4'-P-C4' energy: -181.161 flat angles P-C4'-P energy: -111.245 tors. eta vs tors. theta energy: -245.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2570.656212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.656212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.656212 (E_RNA) where: Base-Base interactions energy: -1819.481 where: short stacking energy: -762.026 Base-Backbone interact. energy: 5.857 local terms energy: -757.032158 where: bonds (distance) C4'-P energy: -127.140 bonds (distance) P-C4' energy: -123.903 flat angles C4'-P-C4' energy: -174.918 flat angles P-C4'-P energy: -110.281 tors. eta vs tors. theta energy: -220.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2434.898806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.898806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.898806 (E_RNA) where: Base-Base interactions energy: -1680.668 where: short stacking energy: -735.560 Base-Backbone interact. energy: -2.542 local terms energy: -751.689094 where: bonds (distance) C4'-P energy: -145.064 bonds (distance) P-C4' energy: -145.946 flat angles C4'-P-C4' energy: -147.244 flat angles P-C4'-P energy: -125.070 tors. eta vs tors. theta energy: -188.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1945.189513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.189513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.189513 (E_RNA) where: Base-Base interactions energy: -1293.517 where: short stacking energy: -607.555 Base-Backbone interact. energy: -4.078 local terms energy: -647.594020 where: bonds (distance) C4'-P energy: -120.105 bonds (distance) P-C4' energy: -129.571 flat angles C4'-P-C4' energy: -163.900 flat angles P-C4'-P energy: -87.446 tors. eta vs tors. theta energy: -146.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1691.672382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.672382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.672382 (E_RNA) where: Base-Base interactions energy: -1099.183 where: short stacking energy: -495.331 Base-Backbone interact. energy: 1.536 local terms energy: -594.025158 where: bonds (distance) C4'-P energy: -118.837 bonds (distance) P-C4' energy: -155.483 flat angles C4'-P-C4' energy: -117.573 flat angles P-C4'-P energy: -109.341 tors. eta vs tors. theta energy: -92.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1035.221766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.221766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.221766 (E_RNA) where: Base-Base interactions energy: -553.378 where: short stacking energy: -307.460 Base-Backbone interact. energy: 6.905 local terms energy: -488.748524 where: bonds (distance) C4'-P energy: -151.774 bonds (distance) P-C4' energy: -133.856 flat angles C4'-P-C4' energy: -108.091 flat angles P-C4'-P energy: -61.830 tors. eta vs tors. theta energy: -33.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3133.916883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.916883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.916883 (E_RNA) where: Base-Base interactions energy: -2215.748 where: short stacking energy: -913.461 Base-Backbone interact. energy: -6.394 local terms energy: -911.774788 where: bonds (distance) C4'-P energy: -166.035 bonds (distance) P-C4' energy: -142.184 flat angles C4'-P-C4' energy: -203.783 flat angles P-C4'-P energy: -125.798 tors. eta vs tors. theta energy: -273.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2996.460205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.460205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.460205 (E_RNA) where: Base-Base interactions energy: -2102.812 where: short stacking energy: -914.552 Base-Backbone interact. energy: -2.505 local terms energy: -891.142498 where: bonds (distance) C4'-P energy: -151.084 bonds (distance) P-C4' energy: -170.804 flat angles C4'-P-C4' energy: -169.268 flat angles P-C4'-P energy: -127.750 tors. eta vs tors. theta energy: -272.237 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: 4 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2887.237963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.237963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.237963 (E_RNA) where: Base-Base interactions energy: -2020.444 where: short stacking energy: -872.994 Base-Backbone interact. energy: 0.910 local terms energy: -867.704703 where: bonds (distance) C4'-P energy: -165.118 bonds (distance) P-C4' energy: -159.587 flat angles C4'-P-C4' energy: -185.068 flat angles P-C4'-P energy: -104.722 tors. eta vs tors. theta energy: -253.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2794.770727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.770727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.770727 (E_RNA) where: Base-Base interactions energy: -1957.114 where: short stacking energy: -854.078 Base-Backbone interact. energy: -0.308 local terms energy: -837.347861 where: bonds (distance) C4'-P energy: -139.841 bonds (distance) P-C4' energy: -158.693 flat angles C4'-P-C4' energy: -166.283 flat angles P-C4'-P energy: -117.594 tors. eta vs tors. theta energy: -254.938 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: 338 Temperature: 1.100000 Total energy: -2770.287830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.287830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.287830 (E_RNA) where: Base-Base interactions energy: -1931.833 where: short stacking energy: -885.244 Base-Backbone interact. energy: -2.987 local terms energy: -835.468071 where: bonds (distance) C4'-P energy: -137.280 bonds (distance) P-C4' energy: -142.626 flat angles C4'-P-C4' energy: -171.322 flat angles P-C4'-P energy: -115.204 tors. eta vs tors. theta energy: -269.037 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: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2565.966950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.966950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.966950 (E_RNA) where: Base-Base interactions energy: -1766.366 where: short stacking energy: -789.159 Base-Backbone interact. energy: 13.411 local terms energy: -813.011705 where: bonds (distance) C4'-P energy: -153.745 bonds (distance) P-C4' energy: -144.803 flat angles C4'-P-C4' energy: -183.078 flat angles P-C4'-P energy: -113.537 tors. eta vs tors. theta energy: -217.849 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: 6 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2395.812400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.812400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.812400 (E_RNA) where: Base-Base interactions energy: -1678.474 where: short stacking energy: -723.098 Base-Backbone interact. energy: -1.697 local terms energy: -715.641088 where: bonds (distance) C4'-P energy: -139.411 bonds (distance) P-C4' energy: -126.560 flat angles C4'-P-C4' energy: -152.229 flat angles P-C4'-P energy: -91.628 tors. eta vs tors. theta energy: -205.812 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: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1929.772285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.772285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.772285 (E_RNA) where: Base-Base interactions energy: -1283.757 where: short stacking energy: -562.084 Base-Backbone interact. energy: -1.602 local terms energy: -644.413339 where: bonds (distance) C4'-P energy: -122.623 bonds (distance) P-C4' energy: -160.552 flat angles C4'-P-C4' energy: -142.430 flat angles P-C4'-P energy: -86.468 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: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1666.383157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.383157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.383157 (E_RNA) where: Base-Base interactions energy: -1065.973 where: short stacking energy: -516.653 Base-Backbone interact. energy: 6.898 local terms energy: -607.307990 where: bonds (distance) C4'-P energy: -109.980 bonds (distance) P-C4' energy: -152.813 flat angles C4'-P-C4' energy: -159.121 flat angles P-C4'-P energy: -83.759 tors. eta vs tors. theta energy: -101.635 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: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1025.588187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.588187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.588187 (E_RNA) where: Base-Base interactions energy: -544.624 where: short stacking energy: -297.385 Base-Backbone interact. energy: 5.521 local terms energy: -486.485920 where: bonds (distance) C4'-P energy: -140.354 bonds (distance) P-C4' energy: -134.347 flat angles C4'-P-C4' energy: -123.557 flat angles P-C4'-P energy: -65.077 tors. eta vs tors. theta energy: -23.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3134.498285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.498285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.498285 (E_RNA) where: Base-Base interactions energy: -2186.615 where: short stacking energy: -924.958 Base-Backbone interact. energy: -2.675 local terms energy: -945.208328 where: bonds (distance) C4'-P energy: -169.380 bonds (distance) P-C4' energy: -174.115 flat angles C4'-P-C4' energy: -199.514 flat angles P-C4'-P energy: -128.004 tors. eta vs tors. theta energy: -274.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -3012.194076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.194076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.194076 (E_RNA) where: Base-Base interactions energy: -2111.439 where: short stacking energy: -912.336 Base-Backbone interact. energy: -2.565 local terms energy: -898.190687 where: bonds (distance) C4'-P energy: -146.705 bonds (distance) P-C4' energy: -168.493 flat angles C4'-P-C4' energy: -187.419 flat angles P-C4'-P energy: -120.472 tors. eta vs tors. theta energy: -275.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2886.002790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.002790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.002790 (E_RNA) where: Base-Base interactions energy: -2007.102 where: short stacking energy: -869.549 Base-Backbone interact. energy: 0.664 local terms energy: -879.564507 where: bonds (distance) C4'-P energy: -155.777 bonds (distance) P-C4' energy: -159.722 flat angles C4'-P-C4' energy: -181.788 flat angles P-C4'-P energy: -130.804 tors. eta vs tors. theta energy: -251.473 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: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2800.437443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.437443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.437443 (E_RNA) where: Base-Base interactions energy: -1943.720 where: short stacking energy: -842.359 Base-Backbone interact. energy: -3.865 local terms energy: -852.853104 where: bonds (distance) C4'-P energy: -145.208 bonds (distance) P-C4' energy: -159.050 flat angles C4'-P-C4' energy: -188.069 flat angles P-C4'-P energy: -113.463 tors. eta vs tors. theta energy: -247.063 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: 5, replica: 2 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2716.820093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.820093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.820093 (E_RNA) where: Base-Base interactions energy: -1869.404 where: short stacking energy: -837.508 Base-Backbone interact. energy: -1.650 local terms energy: -845.765252 where: bonds (distance) C4'-P energy: -145.567 bonds (distance) P-C4' energy: -160.015 flat angles C4'-P-C4' energy: -176.028 flat angles P-C4'-P energy: -107.153 tors. eta vs tors. theta energy: -257.002 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: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2565.413267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.413267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.413267 (E_RNA) where: Base-Base interactions energy: -1790.362 where: short stacking energy: -769.828 Base-Backbone interact. energy: 2.973 local terms energy: -778.023659 where: bonds (distance) C4'-P energy: -152.334 bonds (distance) P-C4' energy: -123.001 flat angles C4'-P-C4' energy: -163.175 flat angles P-C4'-P energy: -110.069 tors. eta vs tors. theta energy: -229.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2275.612850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.612850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.612850 (E_RNA) where: Base-Base interactions energy: -1557.552 where: short stacking energy: -698.037 Base-Backbone interact. energy: -1.454 local terms energy: -716.606513 where: bonds (distance) C4'-P energy: -154.318 bonds (distance) P-C4' energy: -128.003 flat angles C4'-P-C4' energy: -151.182 flat angles P-C4'-P energy: -106.010 tors. eta vs tors. theta energy: -177.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1955.595428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.595428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.595428 (E_RNA) where: Base-Base interactions energy: -1309.296 where: short stacking energy: -614.075 Base-Backbone interact. energy: 3.810 local terms energy: -650.109207 where: bonds (distance) C4'-P energy: -128.224 bonds (distance) P-C4' energy: -141.310 flat angles C4'-P-C4' energy: -139.152 flat angles P-C4'-P energy: -96.719 tors. eta vs tors. theta energy: -144.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1678.542267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.542267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.542267 (E_RNA) where: Base-Base interactions energy: -1109.302 where: short stacking energy: -518.508 Base-Backbone interact. energy: 2.333 local terms energy: -571.573069 where: bonds (distance) C4'-P energy: -143.788 bonds (distance) P-C4' energy: -127.782 flat angles C4'-P-C4' energy: -129.882 flat angles P-C4'-P energy: -85.649 tors. eta vs tors. theta energy: -84.472 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: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1051.337504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.337504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.337504 (E_RNA) where: Base-Base interactions energy: -557.052 where: short stacking energy: -263.697 Base-Backbone interact. energy: -1.212 local terms energy: -493.073712 where: bonds (distance) C4'-P energy: -151.889 bonds (distance) P-C4' energy: -132.853 flat angles C4'-P-C4' energy: -117.386 flat angles P-C4'-P energy: -78.337 tors. eta vs tors. theta energy: -12.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3135.191231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.191231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.191231 (E_RNA) where: Base-Base interactions energy: -2232.841 where: short stacking energy: -932.848 Base-Backbone interact. energy: -3.841 local terms energy: -898.508833 where: bonds (distance) C4'-P energy: -152.697 bonds (distance) P-C4' energy: -164.329 flat angles C4'-P-C4' energy: -181.093 flat angles P-C4'-P energy: -129.891 tors. eta vs tors. theta energy: -270.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -3006.785897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.785897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.785897 (E_RNA) where: Base-Base interactions energy: -2109.734 where: short stacking energy: -924.842 Base-Backbone interact. energy: -0.250 local terms energy: -896.801353 where: bonds (distance) C4'-P energy: -155.739 bonds (distance) P-C4' energy: -166.643 flat angles C4'-P-C4' energy: -191.483 flat angles P-C4'-P energy: -113.106 tors. eta vs tors. theta energy: -269.830 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: 4 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2897.575512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.575512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.575512 (E_RNA) where: Base-Base interactions energy: -2040.072 where: short stacking energy: -878.288 Base-Backbone interact. energy: -2.639 local terms energy: -854.864494 where: bonds (distance) C4'-P energy: -161.117 bonds (distance) P-C4' energy: -158.000 flat angles C4'-P-C4' energy: -178.026 flat angles P-C4'-P energy: -113.780 tors. eta vs tors. theta energy: -243.941 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: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2750.786747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.786747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.786747 (E_RNA) where: Base-Base interactions energy: -1901.963 where: short stacking energy: -851.761 Base-Backbone interact. energy: -3.283 local terms energy: -845.540306 where: bonds (distance) C4'-P energy: -148.381 bonds (distance) P-C4' energy: -164.666 flat angles C4'-P-C4' energy: -169.083 flat angles P-C4'-P energy: -115.208 tors. eta vs tors. theta energy: -248.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2747.960776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.960776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.960776 (E_RNA) where: Base-Base interactions energy: -1912.570 where: short stacking energy: -858.055 Base-Backbone interact. energy: -1.091 local terms energy: -834.300590 where: bonds (distance) C4'-P energy: -147.223 bonds (distance) P-C4' energy: -134.013 flat angles C4'-P-C4' energy: -170.189 flat angles P-C4'-P energy: -124.085 tors. eta vs tors. theta energy: -258.790 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: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2574.279186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.279186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.279186 (E_RNA) where: Base-Base interactions energy: -1775.217 where: short stacking energy: -794.139 Base-Backbone interact. energy: 5.389 local terms energy: -804.451506 where: bonds (distance) C4'-P energy: -130.611 bonds (distance) P-C4' energy: -157.053 flat angles C4'-P-C4' energy: -169.060 flat angles P-C4'-P energy: -121.779 tors. eta vs tors. theta energy: -225.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2257.906479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.906479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.906479 (E_RNA) where: Base-Base interactions energy: -1531.845 where: short stacking energy: -685.366 Base-Backbone interact. energy: -3.314 local terms energy: -722.746947 where: bonds (distance) C4'-P energy: -132.074 bonds (distance) P-C4' energy: -149.654 flat angles C4'-P-C4' energy: -165.768 flat angles P-C4'-P energy: -99.798 tors. eta vs tors. theta energy: -175.453 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: 340 Temperature: 1.250000 Total energy: -1877.065268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.065268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.065268 (E_RNA) where: Base-Base interactions energy: -1256.255 where: short stacking energy: -565.367 Base-Backbone interact. energy: -2.547 local terms energy: -618.263745 where: bonds (distance) C4'-P energy: -134.815 bonds (distance) P-C4' energy: -137.301 flat angles C4'-P-C4' energy: -152.769 flat angles P-C4'-P energy: -75.506 tors. eta vs tors. theta energy: -117.873 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: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1721.310278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.310278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.310278 (E_RNA) where: Base-Base interactions energy: -1119.552 where: short stacking energy: -504.924 Base-Backbone interact. energy: -0.030 local terms energy: -601.728527 where: bonds (distance) C4'-P energy: -132.861 bonds (distance) P-C4' energy: -143.242 flat angles C4'-P-C4' energy: -142.607 flat angles P-C4'-P energy: -82.638 tors. eta vs tors. theta energy: -100.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1088.671302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.671302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.671302 (E_RNA) where: Base-Base interactions energy: -645.177 where: short stacking energy: -341.929 Base-Backbone interact. energy: 3.120 local terms energy: -446.614058 where: bonds (distance) C4'-P energy: -119.691 bonds (distance) P-C4' energy: -126.067 flat angles C4'-P-C4' energy: -122.049 flat angles P-C4'-P energy: -50.937 tors. eta vs tors. theta energy: -27.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3103.509063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.509063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.509063 (E_RNA) where: Base-Base interactions energy: -2195.534 where: short stacking energy: -906.672 Base-Backbone interact. energy: -1.815 local terms energy: -906.160544 where: bonds (distance) C4'-P energy: -159.262 bonds (distance) P-C4' energy: -168.370 flat angles C4'-P-C4' energy: -191.498 flat angles P-C4'-P energy: -120.118 tors. eta vs tors. theta energy: -266.914 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: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -3016.499417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.499417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.499417 (E_RNA) where: Base-Base interactions energy: -2100.221 where: short stacking energy: -911.933 Base-Backbone interact. energy: 0.180 local terms energy: -916.459293 where: bonds (distance) C4'-P energy: -161.463 bonds (distance) P-C4' energy: -154.307 flat angles C4'-P-C4' energy: -192.958 flat angles P-C4'-P energy: -134.428 tors. eta vs tors. theta energy: -273.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2872.873510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.873510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.873510 (E_RNA) where: Base-Base interactions energy: -2009.746 where: short stacking energy: -866.995 Base-Backbone interact. energy: -1.329 local terms energy: -861.797897 where: bonds (distance) C4'-P energy: -176.784 bonds (distance) P-C4' energy: -126.520 flat angles C4'-P-C4' energy: -177.863 flat angles P-C4'-P energy: -123.442 tors. eta vs tors. theta energy: -257.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2820.372120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.372120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.372120 (E_RNA) where: Base-Base interactions energy: -1957.640 where: short stacking energy: -872.362 Base-Backbone interact. energy: -2.302 local terms energy: -860.430469 where: bonds (distance) C4'-P energy: -144.752 bonds (distance) P-C4' energy: -162.895 flat angles C4'-P-C4' energy: -188.229 flat angles P-C4'-P energy: -106.946 tors. eta vs tors. theta energy: -257.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2717.408285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.408285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.408285 (E_RNA) where: Base-Base interactions energy: -1862.140 where: short stacking energy: -819.748 Base-Backbone interact. energy: -4.412 local terms energy: -850.856809 where: bonds (distance) C4'-P energy: -147.300 bonds (distance) P-C4' energy: -163.363 flat angles C4'-P-C4' energy: -174.279 flat angles P-C4'-P energy: -118.454 tors. eta vs tors. theta energy: -247.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2588.202231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.202231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.202231 (E_RNA) where: Base-Base interactions energy: -1830.674 where: short stacking energy: -798.182 Base-Backbone interact. energy: -1.939 local terms energy: -755.589873 where: bonds (distance) C4'-P energy: -134.351 bonds (distance) P-C4' energy: -124.281 flat angles C4'-P-C4' energy: -172.894 flat angles P-C4'-P energy: -105.272 tors. eta vs tors. theta energy: -218.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2246.568260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.568260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.568260 (E_RNA) where: Base-Base interactions energy: -1565.250 where: short stacking energy: -683.990 Base-Backbone interact. energy: -1.358 local terms energy: -679.960251 where: bonds (distance) C4'-P energy: -134.011 bonds (distance) P-C4' energy: -136.809 flat angles C4'-P-C4' energy: -151.239 flat angles P-C4'-P energy: -89.045 tors. eta vs tors. theta energy: -168.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -2020.432087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.432087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.432087 (E_RNA) where: Base-Base interactions energy: -1335.749 where: short stacking energy: -628.659 Base-Backbone interact. energy: 5.553 local terms energy: -690.236280 where: bonds (distance) C4'-P energy: -141.523 bonds (distance) P-C4' energy: -153.178 flat angles C4'-P-C4' energy: -141.058 flat angles P-C4'-P energy: -104.353 tors. eta vs tors. theta energy: -150.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1631.877612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.877612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.877612 (E_RNA) where: Base-Base interactions energy: -1069.595 where: short stacking energy: -470.974 Base-Backbone interact. energy: 1.041 local terms energy: -563.323228 where: bonds (distance) C4'-P energy: -122.172 bonds (distance) P-C4' energy: -125.940 flat angles C4'-P-C4' energy: -147.460 flat angles P-C4'-P energy: -64.985 tors. eta vs tors. theta energy: -102.766 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: 10, replica: 9 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1141.931667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.931667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.931667 (E_RNA) where: Base-Base interactions energy: -666.020 where: short stacking energy: -359.955 Base-Backbone interact. energy: -0.715 local terms energy: -475.196634 where: bonds (distance) C4'-P energy: -126.630 bonds (distance) P-C4' energy: -125.242 flat angles C4'-P-C4' energy: -105.956 flat angles P-C4'-P energy: -68.757 tors. eta vs tors. theta energy: -48.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3123.643106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.643106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.643106 (E_RNA) where: Base-Base interactions energy: -2192.747 where: short stacking energy: -920.954 Base-Backbone interact. energy: -3.728 local terms energy: -927.168617 where: bonds (distance) C4'-P energy: -155.076 bonds (distance) P-C4' energy: -177.831 flat angles C4'-P-C4' energy: -193.962 flat angles P-C4'-P energy: -135.761 tors. eta vs tors. theta energy: -264.539 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: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -3026.556707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.556707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.556707 (E_RNA) where: Base-Base interactions energy: -2104.434 where: short stacking energy: -910.440 Base-Backbone interact. energy: -1.309 local terms energy: -920.813498 where: bonds (distance) C4'-P energy: -173.291 bonds (distance) P-C4' energy: -154.529 flat angles C4'-P-C4' energy: -195.870 flat angles P-C4'-P energy: -127.075 tors. eta vs tors. theta energy: -270.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2888.003062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.003062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.003062 (E_RNA) where: Base-Base interactions energy: -2041.777 where: short stacking energy: -890.163 Base-Backbone interact. energy: 0.573 local terms energy: -846.799203 where: bonds (distance) C4'-P energy: -136.489 bonds (distance) P-C4' energy: -158.395 flat angles C4'-P-C4' energy: -170.114 flat angles P-C4'-P energy: -129.797 tors. eta vs tors. theta energy: -252.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2768.620323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.620323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.620323 (E_RNA) where: Base-Base interactions energy: -1913.145 where: short stacking energy: -876.389 Base-Backbone interact. energy: 0.767 local terms energy: -856.242133 where: bonds (distance) C4'-P energy: -155.274 bonds (distance) P-C4' energy: -144.664 flat angles C4'-P-C4' energy: -183.096 flat angles P-C4'-P energy: -112.426 tors. eta vs tors. theta energy: -260.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2679.884938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.884938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.884938 (E_RNA) where: Base-Base interactions energy: -1880.910 where: short stacking energy: -818.201 Base-Backbone interact. energy: -4.143 local terms energy: -794.831385 where: bonds (distance) C4'-P energy: -133.265 bonds (distance) P-C4' energy: -150.567 flat angles C4'-P-C4' energy: -175.982 flat angles P-C4'-P energy: -105.581 tors. eta vs tors. theta energy: -229.435 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: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2557.478353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.478353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.478353 (E_RNA) where: Base-Base interactions energy: -1819.080 where: short stacking energy: -780.724 Base-Backbone interact. energy: -0.150 local terms energy: -738.247719 where: bonds (distance) C4'-P energy: -122.266 bonds (distance) P-C4' energy: -126.528 flat angles C4'-P-C4' energy: -166.032 flat angles P-C4'-P energy: -107.604 tors. eta vs tors. theta energy: -215.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2278.944730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.944730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.944730 (E_RNA) where: Base-Base interactions energy: -1562.207 where: short stacking energy: -664.629 Base-Backbone interact. energy: -4.080 local terms energy: -712.658128 where: bonds (distance) C4'-P energy: -128.044 bonds (distance) P-C4' energy: -152.617 flat angles C4'-P-C4' energy: -153.107 flat angles P-C4'-P energy: -109.680 tors. eta vs tors. theta energy: -169.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1991.874310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.874310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.874310 (E_RNA) where: Base-Base interactions energy: -1310.493 where: short stacking energy: -612.841 Base-Backbone interact. energy: -6.115 local terms energy: -675.266482 where: bonds (distance) C4'-P energy: -144.595 bonds (distance) P-C4' energy: -122.792 flat angles C4'-P-C4' energy: -157.158 flat angles P-C4'-P energy: -91.265 tors. eta vs tors. theta energy: -159.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1637.493297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.493297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.493297 (E_RNA) where: Base-Base interactions energy: -1037.550 where: short stacking energy: -470.843 Base-Backbone interact. energy: 0.113 local terms energy: -600.056909 where: bonds (distance) C4'-P energy: -135.111 bonds (distance) P-C4' energy: -147.904 flat angles C4'-P-C4' energy: -146.781 flat angles P-C4'-P energy: -82.485 tors. eta vs tors. theta energy: -87.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1186.620076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.620076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.620076 (E_RNA) where: Base-Base interactions energy: -640.230 where: short stacking energy: -338.314 Base-Backbone interact. energy: -5.139 local terms energy: -541.251176 where: bonds (distance) C4'-P energy: -133.320 bonds (distance) P-C4' energy: -143.557 flat angles C4'-P-C4' energy: -136.713 flat angles P-C4'-P energy: -73.626 tors. eta vs tors. theta energy: -54.034 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: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3118.312401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.312401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.312401 (E_RNA) where: Base-Base interactions energy: -2187.037 where: short stacking energy: -933.643 Base-Backbone interact. energy: -1.902 local terms energy: -929.372816 where: bonds (distance) C4'-P energy: -169.296 bonds (distance) P-C4' energy: -165.797 flat angles C4'-P-C4' energy: -195.863 flat angles P-C4'-P energy: -132.686 tors. eta vs tors. theta energy: -265.730 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: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2992.864764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.864764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.864764 (E_RNA) where: Base-Base interactions energy: -2095.645 where: short stacking energy: -894.121 Base-Backbone interact. energy: -4.583 local terms energy: -892.637198 where: bonds (distance) C4'-P energy: -157.844 bonds (distance) P-C4' energy: -159.125 flat angles C4'-P-C4' energy: -196.078 flat angles P-C4'-P energy: -121.480 tors. eta vs tors. theta energy: -258.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2858.815644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.815644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.815644 (E_RNA) where: Base-Base interactions energy: -1993.356 where: short stacking energy: -864.327 Base-Backbone interact. energy: -4.687 local terms energy: -860.772894 where: bonds (distance) C4'-P energy: -151.612 bonds (distance) P-C4' energy: -153.563 flat angles C4'-P-C4' energy: -191.311 flat angles P-C4'-P energy: -118.263 tors. eta vs tors. theta energy: -246.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2820.819537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.819537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.819537 (E_RNA) where: Base-Base interactions energy: -1937.889 where: short stacking energy: -882.038 Base-Backbone interact. energy: -3.987 local terms energy: -878.943537 where: bonds (distance) C4'-P energy: -149.209 bonds (distance) P-C4' energy: -151.672 flat angles C4'-P-C4' energy: -193.251 flat angles P-C4'-P energy: -124.055 tors. eta vs tors. theta energy: -260.757 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: 8 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2655.894224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.894224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.894224 (E_RNA) where: Base-Base interactions energy: -1839.595 where: short stacking energy: -825.465 Base-Backbone interact. energy: -1.285 local terms energy: -815.013764 where: bonds (distance) C4'-P energy: -127.458 bonds (distance) P-C4' energy: -163.913 flat angles C4'-P-C4' energy: -179.527 flat angles P-C4'-P energy: -109.451 tors. eta vs tors. theta energy: -234.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2583.358028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.358028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.358028 (E_RNA) where: Base-Base interactions energy: -1840.777 where: short stacking energy: -787.069 Base-Backbone interact. energy: 2.620 local terms energy: -745.201543 where: bonds (distance) C4'-P energy: -129.295 bonds (distance) P-C4' energy: -116.769 flat angles C4'-P-C4' energy: -178.624 flat angles P-C4'-P energy: -102.475 tors. eta vs tors. theta energy: -218.039 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: 6 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2164.618763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.618763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.618763 (E_RNA) where: Base-Base interactions energy: -1487.349 where: short stacking energy: -661.429 Base-Backbone interact. energy: -6.727 local terms energy: -670.543130 where: bonds (distance) C4'-P energy: -136.240 bonds (distance) P-C4' energy: -133.661 flat angles C4'-P-C4' energy: -146.570 flat angles P-C4'-P energy: -85.520 tors. eta vs tors. theta energy: -168.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1977.571721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.571721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.571721 (E_RNA) where: Base-Base interactions energy: -1334.854 where: short stacking energy: -611.756 Base-Backbone interact. energy: -0.753 local terms energy: -641.965364 where: bonds (distance) C4'-P energy: -131.391 bonds (distance) P-C4' energy: -133.021 flat angles C4'-P-C4' energy: -136.539 flat angles P-C4'-P energy: -82.652 tors. eta vs tors. theta energy: -158.362 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: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1578.004117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.004117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.004117 (E_RNA) where: Base-Base interactions energy: -1044.135 where: short stacking energy: -482.931 Base-Backbone interact. energy: 6.741 local terms energy: -540.609795 where: bonds (distance) C4'-P energy: -107.441 bonds (distance) P-C4' energy: -134.503 flat angles C4'-P-C4' energy: -129.562 flat angles P-C4'-P energy: -72.477 tors. eta vs tors. theta energy: -96.627 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: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1141.281257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.281257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.281257 (E_RNA) where: Base-Base interactions energy: -642.816 where: short stacking energy: -319.039 Base-Backbone interact. energy: 1.747 local terms energy: -500.212192 where: bonds (distance) C4'-P energy: -99.947 bonds (distance) P-C4' energy: -166.101 flat angles C4'-P-C4' energy: -130.066 flat angles P-C4'-P energy: -79.938 tors. eta vs tors. theta energy: -24.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3099.379795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.379795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.379795 (E_RNA) where: Base-Base interactions energy: -2191.964 where: short stacking energy: -927.570 Base-Backbone interact. energy: -4.277 local terms energy: -903.138373 where: bonds (distance) C4'-P energy: -175.292 bonds (distance) P-C4' energy: -160.555 flat angles C4'-P-C4' energy: -191.117 flat angles P-C4'-P energy: -116.014 tors. eta vs tors. theta energy: -260.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -3024.134833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.134833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.134833 (E_RNA) where: Base-Base interactions energy: -2091.111 where: short stacking energy: -914.338 Base-Backbone interact. energy: -5.993 local terms energy: -927.030819 where: bonds (distance) C4'-P energy: -155.040 bonds (distance) P-C4' energy: -176.938 flat angles C4'-P-C4' energy: -186.660 flat angles P-C4'-P energy: -135.048 tors. eta vs tors. theta energy: -273.345 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: 4 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2894.837385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.837385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.837385 (E_RNA) where: Base-Base interactions energy: -2022.189 where: short stacking energy: -880.142 Base-Backbone interact. energy: -2.752 local terms energy: -869.895993 where: bonds (distance) C4'-P energy: -157.285 bonds (distance) P-C4' energy: -157.961 flat angles C4'-P-C4' energy: -184.757 flat angles P-C4'-P energy: -123.688 tors. eta vs tors. theta energy: -246.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2826.543409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.543409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.543409 (E_RNA) where: Base-Base interactions energy: -1958.297 where: short stacking energy: -863.194 Base-Backbone interact. energy: -1.564 local terms energy: -866.682452 where: bonds (distance) C4'-P energy: -155.166 bonds (distance) P-C4' energy: -160.298 flat angles C4'-P-C4' energy: -182.146 flat angles P-C4'-P energy: -100.604 tors. eta vs tors. theta energy: -268.468 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: 8 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2708.520435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.520435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.520435 (E_RNA) where: Base-Base interactions energy: -1870.141 where: short stacking energy: -820.132 Base-Backbone interact. energy: -2.758 local terms energy: -835.621508 where: bonds (distance) C4'-P energy: -149.641 bonds (distance) P-C4' energy: -163.496 flat angles C4'-P-C4' energy: -175.351 flat angles P-C4'-P energy: -113.532 tors. eta vs tors. theta energy: -233.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2525.374687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.374687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.374687 (E_RNA) where: Base-Base interactions energy: -1751.863 where: short stacking energy: -763.835 Base-Backbone interact. energy: 3.061 local terms energy: -776.572791 where: bonds (distance) C4'-P energy: -146.012 bonds (distance) P-C4' energy: -148.378 flat angles C4'-P-C4' energy: -168.418 flat angles P-C4'-P energy: -92.362 tors. eta vs tors. theta energy: -221.404 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: 6 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2161.003989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.003989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.003989 (E_RNA) where: Base-Base interactions energy: -1478.518 where: short stacking energy: -670.037 Base-Backbone interact. energy: -3.609 local terms energy: -678.877371 where: bonds (distance) C4'-P energy: -134.558 bonds (distance) P-C4' energy: -134.409 flat angles C4'-P-C4' energy: -155.783 flat angles P-C4'-P energy: -85.905 tors. eta vs tors. theta energy: -168.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1910.555938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.555938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.555938 (E_RNA) where: Base-Base interactions energy: -1260.166 where: short stacking energy: -580.585 Base-Backbone interact. energy: 0.446 local terms energy: -650.836538 where: bonds (distance) C4'-P energy: -131.273 bonds (distance) P-C4' energy: -143.082 flat angles C4'-P-C4' energy: -143.821 flat angles P-C4'-P energy: -95.751 tors. eta vs tors. theta energy: -136.909 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: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1562.829042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.829042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.829042 (E_RNA) where: Base-Base interactions energy: -965.078 where: short stacking energy: -432.602 Base-Backbone interact. energy: -3.301 local terms energy: -594.450765 where: bonds (distance) C4'-P energy: -154.163 bonds (distance) P-C4' energy: -148.324 flat angles C4'-P-C4' energy: -135.254 flat angles P-C4'-P energy: -86.411 tors. eta vs tors. theta energy: -70.299 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: 9 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1202.792537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.792537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.792537 (E_RNA) where: Base-Base interactions energy: -696.937 where: short stacking energy: -356.772 Base-Backbone interact. energy: 2.623 local terms energy: -508.478896 where: bonds (distance) C4'-P energy: -140.133 bonds (distance) P-C4' energy: -130.516 flat angles C4'-P-C4' energy: -128.317 flat angles P-C4'-P energy: -56.490 tors. eta vs tors. theta energy: -53.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3117.921749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.921749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.921749 (E_RNA) where: Base-Base interactions energy: -2212.978 where: short stacking energy: -931.223 Base-Backbone interact. energy: -4.025 local terms energy: -900.919425 where: bonds (distance) C4'-P energy: -157.204 bonds (distance) P-C4' energy: -158.281 flat angles C4'-P-C4' energy: -203.476 flat angles P-C4'-P energy: -123.070 tors. eta vs tors. theta energy: -258.889 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: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -3000.289310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.289310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.289310 (E_RNA) where: Base-Base interactions energy: -2066.673 where: short stacking energy: -914.217 Base-Backbone interact. energy: -2.446 local terms energy: -931.170166 where: bonds (distance) C4'-P energy: -164.934 bonds (distance) P-C4' energy: -175.560 flat angles C4'-P-C4' energy: -195.645 flat angles P-C4'-P energy: -121.893 tors. eta vs tors. theta energy: -273.139 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: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -2904.598437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.598437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.598437 (E_RNA) where: Base-Base interactions energy: -2026.253 where: short stacking energy: -894.273 Base-Backbone interact. energy: -4.179 local terms energy: -874.166481 where: bonds (distance) C4'-P energy: -144.698 bonds (distance) P-C4' energy: -160.099 flat angles C4'-P-C4' energy: -184.032 flat angles P-C4'-P energy: -114.398 tors. eta vs tors. theta energy: -270.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2816.077596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.077596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.077596 (E_RNA) where: Base-Base interactions energy: -1921.290 where: short stacking energy: -886.211 Base-Backbone interact. energy: -2.577 local terms energy: -892.209964 where: bonds (distance) C4'-P energy: -148.599 bonds (distance) P-C4' energy: -163.895 flat angles C4'-P-C4' energy: -184.471 flat angles P-C4'-P energy: -127.174 tors. eta vs tors. theta energy: -268.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2730.267203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.267203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.267203 (E_RNA) where: Base-Base interactions energy: -1914.517 where: short stacking energy: -820.480 Base-Backbone interact. energy: -0.108 local terms energy: -815.641744 where: bonds (distance) C4'-P energy: -147.353 bonds (distance) P-C4' energy: -143.852 flat angles C4'-P-C4' energy: -178.960 flat angles P-C4'-P energy: -99.994 tors. eta vs tors. theta energy: -245.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2523.594620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.594620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.594620 (E_RNA) where: Base-Base interactions energy: -1787.148 where: short stacking energy: -738.913 Base-Backbone interact. energy: 2.275 local terms energy: -738.721012 where: bonds (distance) C4'-P energy: -138.709 bonds (distance) P-C4' energy: -150.191 flat angles C4'-P-C4' energy: -167.373 flat angles P-C4'-P energy: -98.598 tors. eta vs tors. theta energy: -183.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2155.128448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.128448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.128448 (E_RNA) where: Base-Base interactions energy: -1501.863 where: short stacking energy: -672.923 Base-Backbone interact. energy: 0.084 local terms energy: -653.349743 where: bonds (distance) C4'-P energy: -125.838 bonds (distance) P-C4' energy: -116.424 flat angles C4'-P-C4' energy: -150.304 flat angles P-C4'-P energy: -89.232 tors. eta vs tors. theta energy: -171.551 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: 8, replica: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1953.808523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.808523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.808523 (E_RNA) where: Base-Base interactions energy: -1295.068 where: short stacking energy: -602.321 Base-Backbone interact. energy: 0.065 local terms energy: -658.805354 where: bonds (distance) C4'-P energy: -137.614 bonds (distance) P-C4' energy: -130.096 flat angles C4'-P-C4' energy: -151.822 flat angles P-C4'-P energy: -92.183 tors. eta vs tors. theta energy: -147.091 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: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1588.655626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.655626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.655626 (E_RNA) where: Base-Base interactions energy: -993.271 where: short stacking energy: -457.041 Base-Backbone interact. energy: 1.068 local terms energy: -596.453001 where: bonds (distance) C4'-P energy: -143.464 bonds (distance) P-C4' energy: -141.582 flat angles C4'-P-C4' energy: -137.704 flat angles P-C4'-P energy: -89.162 tors. eta vs tors. theta energy: -84.542 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: 9 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1133.019599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.019599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.019599 (E_RNA) where: Base-Base interactions energy: -651.062 where: short stacking energy: -293.865 Base-Backbone interact. energy: 6.098 local terms energy: -488.056101 where: bonds (distance) C4'-P energy: -128.557 bonds (distance) P-C4' energy: -138.730 flat angles C4'-P-C4' energy: -124.116 flat angles P-C4'-P energy: -77.420 tors. eta vs tors. theta energy: -19.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3131.855285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.855285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.855285 (E_RNA) where: Base-Base interactions energy: -2221.742 where: short stacking energy: -918.112 Base-Backbone interact. energy: -3.247 local terms energy: -906.865839 where: bonds (distance) C4'-P energy: -161.789 bonds (distance) P-C4' energy: -160.367 flat angles C4'-P-C4' energy: -191.744 flat angles P-C4'-P energy: -122.856 tors. eta vs tors. theta energy: -270.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2979.288929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.288929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.288929 (E_RNA) where: Base-Base interactions energy: -2096.119 where: short stacking energy: -913.712 Base-Backbone interact. energy: -0.409 local terms energy: -882.760732 where: bonds (distance) C4'-P energy: -161.438 bonds (distance) P-C4' energy: -150.201 flat angles C4'-P-C4' energy: -190.733 flat angles P-C4'-P energy: -113.625 tors. eta vs tors. theta energy: -266.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2880.866876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.866876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.866876 (E_RNA) where: Base-Base interactions energy: -2019.300 where: short stacking energy: -876.557 Base-Backbone interact. energy: -3.529 local terms energy: -858.037625 where: bonds (distance) C4'-P energy: -155.951 bonds (distance) P-C4' energy: -152.011 flat angles C4'-P-C4' energy: -176.249 flat angles P-C4'-P energy: -122.031 tors. eta vs tors. theta energy: -251.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2756.291218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.291218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.291218 (E_RNA) where: Base-Base interactions energy: -1886.578 where: short stacking energy: -832.824 Base-Backbone interact. energy: -0.804 local terms energy: -868.908708 where: bonds (distance) C4'-P energy: -159.791 bonds (distance) P-C4' energy: -156.063 flat angles C4'-P-C4' energy: -182.995 flat angles P-C4'-P energy: -124.391 tors. eta vs tors. theta energy: -245.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2722.881581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.881581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.881581 (E_RNA) where: Base-Base interactions energy: -1877.733 where: short stacking energy: -837.342 Base-Backbone interact. energy: -0.411 local terms energy: -844.736988 where: bonds (distance) C4'-P energy: -149.920 bonds (distance) P-C4' energy: -148.359 flat angles C4'-P-C4' energy: -183.709 flat angles P-C4'-P energy: -117.010 tors. eta vs tors. theta energy: -245.740 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: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2500.277003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.277003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.277003 (E_RNA) where: Base-Base interactions energy: -1747.692 where: short stacking energy: -751.283 Base-Backbone interact. energy: -0.168 local terms energy: -752.416379 where: bonds (distance) C4'-P energy: -127.596 bonds (distance) P-C4' energy: -154.299 flat angles C4'-P-C4' energy: -176.462 flat angles P-C4'-P energy: -101.954 tors. eta vs tors. theta energy: -192.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2201.929040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.929040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.929040 (E_RNA) where: Base-Base interactions energy: -1471.874 where: short stacking energy: -668.294 Base-Backbone interact. energy: 3.610 local terms energy: -733.664653 where: bonds (distance) C4'-P energy: -137.256 bonds (distance) P-C4' energy: -157.468 flat angles C4'-P-C4' energy: -169.495 flat angles P-C4'-P energy: -90.669 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: 8, replica: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1966.866349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.866349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.866349 (E_RNA) where: Base-Base interactions energy: -1326.311 where: short stacking energy: -594.394 Base-Backbone interact. energy: -0.926 local terms energy: -639.629621 where: bonds (distance) C4'-P energy: -143.393 bonds (distance) P-C4' energy: -130.205 flat angles C4'-P-C4' energy: -156.723 flat angles P-C4'-P energy: -76.750 tors. eta vs tors. theta energy: -132.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1535.482926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.482926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.482926 (E_RNA) where: Base-Base interactions energy: -983.800 where: short stacking energy: -433.264 Base-Backbone interact. energy: -2.605 local terms energy: -549.078006 where: bonds (distance) C4'-P energy: -129.488 bonds (distance) P-C4' energy: -156.106 flat angles C4'-P-C4' energy: -128.180 flat angles P-C4'-P energy: -58.136 tors. eta vs tors. theta energy: -77.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1147.649526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.649526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.649526 (E_RNA) where: Base-Base interactions energy: -667.670 where: short stacking energy: -331.376 Base-Backbone interact. energy: 4.625 local terms energy: -484.604729 where: bonds (distance) C4'-P energy: -118.745 bonds (distance) P-C4' energy: -132.860 flat angles C4'-P-C4' energy: -128.902 flat angles P-C4'-P energy: -72.718 tors. eta vs tors. theta energy: -31.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3096.824985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.824985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.824985 (E_RNA) where: Base-Base interactions energy: -2180.272 where: short stacking energy: -906.992 Base-Backbone interact. energy: -3.395 local terms energy: -913.157998 where: bonds (distance) C4'-P energy: -156.730 bonds (distance) P-C4' energy: -180.567 flat angles C4'-P-C4' energy: -197.978 flat angles P-C4'-P energy: -120.874 tors. eta vs tors. theta energy: -257.009 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: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2988.157125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.157125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.157125 (E_RNA) where: Base-Base interactions energy: -2074.598 where: short stacking energy: -903.622 Base-Backbone interact. energy: -1.725 local terms energy: -911.834810 where: bonds (distance) C4'-P energy: -158.812 bonds (distance) P-C4' energy: -160.866 flat angles C4'-P-C4' energy: -192.852 flat angles P-C4'-P energy: -129.114 tors. eta vs tors. theta energy: -270.191 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: 3, replica: 4 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2872.168718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.168718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.168718 (E_RNA) where: Base-Base interactions energy: -1988.747 where: short stacking energy: -873.762 Base-Backbone interact. energy: -1.808 local terms energy: -881.614177 where: bonds (distance) C4'-P energy: -161.628 bonds (distance) P-C4' energy: -150.667 flat angles C4'-P-C4' energy: -170.383 flat angles P-C4'-P energy: -132.353 tors. eta vs tors. theta energy: -266.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2791.825362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.825362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.825362 (E_RNA) where: Base-Base interactions energy: -1923.919 where: short stacking energy: -858.837 Base-Backbone interact. energy: 1.092 local terms energy: -868.999259 where: bonds (distance) C4'-P energy: -146.891 bonds (distance) P-C4' energy: -156.445 flat angles C4'-P-C4' energy: -178.268 flat angles P-C4'-P energy: -127.153 tors. eta vs tors. theta energy: -260.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2678.673601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.673601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.673601 (E_RNA) where: Base-Base interactions energy: -1854.582 where: short stacking energy: -833.091 Base-Backbone interact. energy: -0.503 local terms energy: -823.588419 where: bonds (distance) C4'-P energy: -138.954 bonds (distance) P-C4' energy: -150.961 flat angles C4'-P-C4' energy: -177.951 flat angles P-C4'-P energy: -119.788 tors. eta vs tors. theta energy: -235.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2504.652066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.652066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.652066 (E_RNA) where: Base-Base interactions energy: -1745.609 where: short stacking energy: -769.890 Base-Backbone interact. energy: 0.359 local terms energy: -759.402305 where: bonds (distance) C4'-P energy: -138.738 bonds (distance) P-C4' energy: -142.531 flat angles C4'-P-C4' energy: -155.850 flat angles P-C4'-P energy: -110.304 tors. eta vs tors. theta energy: -211.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2173.548889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.548889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.548889 (E_RNA) where: Base-Base interactions energy: -1470.384 where: short stacking energy: -664.002 Base-Backbone interact. energy: 1.328 local terms energy: -704.493454 where: bonds (distance) C4'-P energy: -141.051 bonds (distance) P-C4' energy: -137.271 flat angles C4'-P-C4' energy: -159.990 flat angles P-C4'-P energy: -78.093 tors. eta vs tors. theta energy: -188.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1891.817690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.817690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.817690 (E_RNA) where: Base-Base interactions energy: -1253.340 where: short stacking energy: -550.954 Base-Backbone interact. energy: -2.439 local terms energy: -636.039015 where: bonds (distance) C4'-P energy: -143.212 bonds (distance) P-C4' energy: -142.200 flat angles C4'-P-C4' energy: -145.591 flat angles P-C4'-P energy: -79.176 tors. eta vs tors. theta energy: -125.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1515.025807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.025807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.025807 (E_RNA) where: Base-Base interactions energy: -938.726 where: short stacking energy: -433.239 Base-Backbone interact. energy: -0.687 local terms energy: -575.612554 where: bonds (distance) C4'-P energy: -125.264 bonds (distance) P-C4' energy: -140.949 flat angles C4'-P-C4' energy: -141.544 flat angles P-C4'-P energy: -92.230 tors. eta vs tors. theta energy: -75.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1133.008921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.008921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.008921 (E_RNA) where: Base-Base interactions energy: -655.849 where: short stacking energy: -334.137 Base-Backbone interact. energy: 1.594 local terms energy: -478.754176 where: bonds (distance) C4'-P energy: -122.708 bonds (distance) P-C4' energy: -135.042 flat angles C4'-P-C4' energy: -127.763 flat angles P-C4'-P energy: -67.423 tors. eta vs tors. theta energy: -25.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3116.906691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.906691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.906691 (E_RNA) where: Base-Base interactions energy: -2185.142 where: short stacking energy: -908.159 Base-Backbone interact. energy: 0.816 local terms energy: -932.580637 where: bonds (distance) C4'-P energy: -176.030 bonds (distance) P-C4' energy: -167.335 flat angles C4'-P-C4' energy: -184.021 flat angles P-C4'-P energy: -131.756 tors. eta vs tors. theta energy: -273.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2992.052337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.052337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.052337 (E_RNA) where: Base-Base interactions energy: -2085.385 where: short stacking energy: -921.618 Base-Backbone interact. energy: -0.168 local terms energy: -906.499657 where: bonds (distance) C4'-P energy: -153.290 bonds (distance) P-C4' energy: -148.303 flat angles C4'-P-C4' energy: -192.427 flat angles P-C4'-P energy: -134.129 tors. eta vs tors. theta energy: -278.351 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: 4 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2914.096760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.096760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.096760 (E_RNA) where: Base-Base interactions energy: -2052.250 where: short stacking energy: -886.317 Base-Backbone interact. energy: -3.924 local terms energy: -857.922283 where: bonds (distance) C4'-P energy: -145.609 bonds (distance) P-C4' energy: -139.371 flat angles C4'-P-C4' energy: -173.072 flat angles P-C4'-P energy: -148.496 tors. eta vs tors. theta energy: -251.375 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: 4, replica: 8 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2753.284162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.284162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.284162 (E_RNA) where: Base-Base interactions energy: -1881.688 where: short stacking energy: -852.039 Base-Backbone interact. energy: -1.131 local terms energy: -870.465144 where: bonds (distance) C4'-P energy: -154.532 bonds (distance) P-C4' energy: -139.205 flat angles C4'-P-C4' energy: -192.368 flat angles P-C4'-P energy: -124.746 tors. eta vs tors. theta energy: -259.614 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: 5, replica: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2655.035963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.035963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.035963 (E_RNA) where: Base-Base interactions energy: -1843.370 where: short stacking energy: -840.227 Base-Backbone interact. energy: -1.132 local terms energy: -810.533642 where: bonds (distance) C4'-P energy: -139.637 bonds (distance) P-C4' energy: -148.595 flat angles C4'-P-C4' energy: -174.741 flat angles P-C4'-P energy: -106.848 tors. eta vs tors. theta energy: -240.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2554.777707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.777707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.777707 (E_RNA) where: Base-Base interactions energy: -1763.796 where: short stacking energy: -777.152 Base-Backbone interact. energy: -2.050 local terms energy: -788.931910 where: bonds (distance) C4'-P energy: -159.518 bonds (distance) P-C4' energy: -126.755 flat angles C4'-P-C4' energy: -177.544 flat angles P-C4'-P energy: -105.574 tors. eta vs tors. theta energy: -219.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2214.268136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.268136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.268136 (E_RNA) where: Base-Base interactions energy: -1488.638 where: short stacking energy: -651.814 Base-Backbone interact. energy: -3.546 local terms energy: -722.083523 where: bonds (distance) C4'-P energy: -153.031 bonds (distance) P-C4' energy: -157.390 flat angles C4'-P-C4' energy: -154.001 flat angles P-C4'-P energy: -96.210 tors. eta vs tors. theta energy: -161.451 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: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1822.309290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.309290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.309290 (E_RNA) where: Base-Base interactions energy: -1185.667 where: short stacking energy: -509.599 Base-Backbone interact. energy: -5.266 local terms energy: -631.375922 where: bonds (distance) C4'-P energy: -125.368 bonds (distance) P-C4' energy: -163.704 flat angles C4'-P-C4' energy: -147.774 flat angles P-C4'-P energy: -73.463 tors. eta vs tors. theta energy: -121.066 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: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1507.283348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.283348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.283348 (E_RNA) where: Base-Base interactions energy: -946.165 where: short stacking energy: -464.023 Base-Backbone interact. energy: -1.920 local terms energy: -559.198158 where: bonds (distance) C4'-P energy: -117.936 bonds (distance) P-C4' energy: -131.216 flat angles C4'-P-C4' energy: -132.559 flat angles P-C4'-P energy: -75.555 tors. eta vs tors. theta energy: -101.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1070.326350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.326350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.326350 (E_RNA) where: Base-Base interactions energy: -612.496 where: short stacking energy: -334.454 Base-Backbone interact. energy: -1.703 local terms energy: -456.127108 where: bonds (distance) C4'-P energy: -119.730 bonds (distance) P-C4' energy: -145.323 flat angles C4'-P-C4' energy: -112.107 flat angles P-C4'-P energy: -49.685 tors. eta vs tors. theta energy: -29.283 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: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3135.217428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.217428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.217428 (E_RNA) where: Base-Base interactions energy: -2206.184 where: short stacking energy: -909.565 Base-Backbone interact. energy: -0.383 local terms energy: -928.650764 where: bonds (distance) C4'-P energy: -156.047 bonds (distance) P-C4' energy: -167.772 flat angles C4'-P-C4' energy: -209.469 flat angles P-C4'-P energy: -122.025 tors. eta vs tors. theta energy: -273.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -3022.672319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.672319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.672319 (E_RNA) where: Base-Base interactions energy: -2133.277 where: short stacking energy: -896.633 Base-Backbone interact. energy: -4.406 local terms energy: -884.989785 where: bonds (distance) C4'-P energy: -148.077 bonds (distance) P-C4' energy: -162.876 flat angles C4'-P-C4' energy: -193.492 flat angles P-C4'-P energy: -132.431 tors. eta vs tors. theta energy: -248.114 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: 3, replica: 4 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2893.122992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.122992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.122992 (E_RNA) where: Base-Base interactions energy: -2008.346 where: short stacking energy: -869.421 Base-Backbone interact. energy: -0.868 local terms energy: -883.908433 where: bonds (distance) C4'-P energy: -155.190 bonds (distance) P-C4' energy: -157.810 flat angles C4'-P-C4' energy: -184.943 flat angles P-C4'-P energy: -125.378 tors. eta vs tors. theta energy: -260.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2794.438064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.438064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.438064 (E_RNA) where: Base-Base interactions energy: -1934.403 where: short stacking energy: -831.879 Base-Backbone interact. energy: -2.257 local terms energy: -857.777835 where: bonds (distance) C4'-P energy: -155.346 bonds (distance) P-C4' energy: -149.515 flat angles C4'-P-C4' energy: -182.181 flat angles P-C4'-P energy: -118.767 tors. eta vs tors. theta energy: -251.969 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: 7 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2631.821068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.821068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.821068 (E_RNA) where: Base-Base interactions energy: -1870.373 where: short stacking energy: -790.852 Base-Backbone interact. energy: 4.281 local terms energy: -765.729671 where: bonds (distance) C4'-P energy: -145.501 bonds (distance) P-C4' energy: -133.892 flat angles C4'-P-C4' energy: -180.082 flat angles P-C4'-P energy: -89.449 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: 6, replica: 2 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2612.962950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.962950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.962950 (E_RNA) where: Base-Base interactions energy: -1845.834 where: short stacking energy: -797.504 Base-Backbone interact. energy: -0.835 local terms energy: -766.293322 where: bonds (distance) C4'-P energy: -125.077 bonds (distance) P-C4' energy: -129.559 flat angles C4'-P-C4' energy: -167.502 flat angles P-C4'-P energy: -109.188 tors. eta vs tors. theta energy: -234.967 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: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2273.014930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.014930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.014930 (E_RNA) where: Base-Base interactions energy: -1554.636 where: short stacking energy: -683.787 Base-Backbone interact. energy: -4.894 local terms energy: -713.485080 where: bonds (distance) C4'-P energy: -133.219 bonds (distance) P-C4' energy: -154.872 flat angles C4'-P-C4' energy: -150.885 flat angles P-C4'-P energy: -92.957 tors. eta vs tors. theta energy: -181.553 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: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1916.598460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.598460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.598460 (E_RNA) where: Base-Base interactions energy: -1296.671 where: short stacking energy: -588.216 Base-Backbone interact. energy: -0.387 local terms energy: -619.539768 where: bonds (distance) C4'-P energy: -120.812 bonds (distance) P-C4' energy: -143.860 flat angles C4'-P-C4' energy: -143.705 flat angles P-C4'-P energy: -80.199 tors. eta vs tors. theta energy: -130.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1429.997379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.997379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.997379 (E_RNA) where: Base-Base interactions energy: -920.983 where: short stacking energy: -446.237 Base-Backbone interact. energy: 6.457 local terms energy: -515.471477 where: bonds (distance) C4'-P energy: -129.321 bonds (distance) P-C4' energy: -126.384 flat angles C4'-P-C4' energy: -128.166 flat angles P-C4'-P energy: -73.578 tors. eta vs tors. theta energy: -58.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -988.832183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.832183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.832183 (E_RNA) where: Base-Base interactions energy: -532.258 where: short stacking energy: -281.999 Base-Backbone interact. energy: -4.064 local terms energy: -452.509963 where: bonds (distance) C4'-P energy: -131.760 bonds (distance) P-C4' energy: -122.483 flat angles C4'-P-C4' energy: -120.255 flat angles P-C4'-P energy: -69.429 tors. eta vs tors. theta energy: -8.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3148.276936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.276936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.276936 (E_RNA) where: Base-Base interactions energy: -2232.272 where: short stacking energy: -923.754 Base-Backbone interact. energy: -0.579 local terms energy: -915.426274 where: bonds (distance) C4'-P energy: -160.183 bonds (distance) P-C4' energy: -177.667 flat angles C4'-P-C4' energy: -191.422 flat angles P-C4'-P energy: -121.653 tors. eta vs tors. theta energy: -264.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2989.602166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.602166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.602166 (E_RNA) where: Base-Base interactions energy: -2055.761 where: short stacking energy: -905.068 Base-Backbone interact. energy: 1.608 local terms energy: -935.448962 where: bonds (distance) C4'-P energy: -173.313 bonds (distance) P-C4' energy: -171.330 flat angles C4'-P-C4' energy: -194.349 flat angles P-C4'-P energy: -121.599 tors. eta vs tors. theta energy: -274.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2892.928699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.928699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.928699 (E_RNA) where: Base-Base interactions energy: -2018.660 where: short stacking energy: -869.767 Base-Backbone interact. energy: -1.977 local terms energy: -872.291554 where: bonds (distance) C4'-P energy: -167.600 bonds (distance) P-C4' energy: -156.761 flat angles C4'-P-C4' energy: -189.932 flat angles P-C4'-P energy: -98.209 tors. eta vs tors. theta energy: -259.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2773.673916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.673916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.673916 (E_RNA) where: Base-Base interactions energy: -1938.028 where: short stacking energy: -848.414 Base-Backbone interact. energy: -5.342 local terms energy: -830.304737 where: bonds (distance) C4'-P energy: -152.589 bonds (distance) P-C4' energy: -166.095 flat angles C4'-P-C4' energy: -165.147 flat angles P-C4'-P energy: -98.988 tors. eta vs tors. theta energy: -247.486 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: 5, replica: 2 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2701.298709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.298709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.298709 (E_RNA) where: Base-Base interactions energy: -1863.688 where: short stacking energy: -805.150 Base-Backbone interact. energy: -5.558 local terms energy: -832.052692 where: bonds (distance) C4'-P energy: -142.848 bonds (distance) P-C4' energy: -150.566 flat angles C4'-P-C4' energy: -181.570 flat angles P-C4'-P energy: -111.561 tors. eta vs tors. theta energy: -245.507 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: 7 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2509.969828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.969828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.969828 (E_RNA) where: Base-Base interactions energy: -1778.108 where: short stacking energy: -745.090 Base-Backbone interact. energy: 2.982 local terms energy: -734.843632 where: bonds (distance) C4'-P energy: -123.275 bonds (distance) P-C4' energy: -146.280 flat angles C4'-P-C4' energy: -157.303 flat angles P-C4'-P energy: -106.376 tors. eta vs tors. theta energy: -201.610 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: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2270.477391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.477391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.477391 (E_RNA) where: Base-Base interactions energy: -1558.800 where: short stacking energy: -692.387 Base-Backbone interact. energy: -2.119 local terms energy: -709.558757 where: bonds (distance) C4'-P energy: -134.806 bonds (distance) P-C4' energy: -125.899 flat angles C4'-P-C4' energy: -170.125 flat angles P-C4'-P energy: -108.309 tors. eta vs tors. theta energy: -170.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1896.814225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.814225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.814225 (E_RNA) where: Base-Base interactions energy: -1245.858 where: short stacking energy: -563.751 Base-Backbone interact. energy: -0.964 local terms energy: -649.992811 where: bonds (distance) C4'-P energy: -122.402 bonds (distance) P-C4' energy: -130.579 flat angles C4'-P-C4' energy: -152.895 flat angles P-C4'-P energy: -97.108 tors. eta vs tors. theta energy: -147.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1504.301705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.301705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.301705 (E_RNA) where: Base-Base interactions energy: -984.697 where: short stacking energy: -469.533 Base-Backbone interact. energy: 3.306 local terms energy: -522.910382 where: bonds (distance) C4'-P energy: -113.132 bonds (distance) P-C4' energy: -107.680 flat angles C4'-P-C4' energy: -131.532 flat angles P-C4'-P energy: -85.504 tors. eta vs tors. theta energy: -85.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1101.426191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.426191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.426191 (E_RNA) where: Base-Base interactions energy: -616.040 where: short stacking energy: -308.828 Base-Backbone interact. energy: -4.707 local terms energy: -480.678619 where: bonds (distance) C4'-P energy: -139.484 bonds (distance) P-C4' energy: -119.299 flat angles C4'-P-C4' energy: -131.475 flat angles P-C4'-P energy: -77.045 tors. eta vs tors. theta energy: -13.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3146.435791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.435791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.435791 (E_RNA) where: Base-Base interactions energy: -2217.081 where: short stacking energy: -935.285 Base-Backbone interact. energy: -4.923 local terms energy: -924.431410 where: bonds (distance) C4'-P energy: -159.752 bonds (distance) P-C4' energy: -174.862 flat angles C4'-P-C4' energy: -199.417 flat angles P-C4'-P energy: -120.524 tors. eta vs tors. theta energy: -269.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -3018.603086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.603086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.603086 (E_RNA) where: Base-Base interactions energy: -2117.297 where: short stacking energy: -935.193 Base-Backbone interact. energy: -3.073 local terms energy: -898.232802 where: bonds (distance) C4'-P energy: -148.474 bonds (distance) P-C4' energy: -152.768 flat angles C4'-P-C4' energy: -201.157 flat angles P-C4'-P energy: -125.899 tors. eta vs tors. theta energy: -269.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2947.208549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.208549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.208549 (E_RNA) where: Base-Base interactions energy: -2053.028 where: short stacking energy: -893.922 Base-Backbone interact. energy: -4.768 local terms energy: -889.411815 where: bonds (distance) C4'-P energy: -146.260 bonds (distance) P-C4' energy: -152.119 flat angles C4'-P-C4' energy: -188.859 flat angles P-C4'-P energy: -130.731 tors. eta vs tors. theta energy: -271.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2795.464036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.464036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.464036 (E_RNA) where: Base-Base interactions energy: -1945.173 where: short stacking energy: -851.052 Base-Backbone interact. energy: 0.724 local terms energy: -851.014782 where: bonds (distance) C4'-P energy: -155.934 bonds (distance) P-C4' energy: -144.918 flat angles C4'-P-C4' energy: -184.550 flat angles P-C4'-P energy: -116.662 tors. eta vs tors. theta energy: -248.950 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: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2692.947294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.947294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.947294 (E_RNA) where: Base-Base interactions energy: -1886.101 where: short stacking energy: -820.649 Base-Backbone interact. energy: -1.025 local terms energy: -805.820875 where: bonds (distance) C4'-P energy: -137.584 bonds (distance) P-C4' energy: -132.083 flat angles C4'-P-C4' energy: -179.214 flat angles P-C4'-P energy: -103.861 tors. eta vs tors. theta energy: -253.080 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: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2561.132989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.132989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.132989 (E_RNA) where: Base-Base interactions energy: -1781.762 where: short stacking energy: -779.686 Base-Backbone interact. energy: -4.331 local terms energy: -775.040272 where: bonds (distance) C4'-P energy: -147.870 bonds (distance) P-C4' energy: -128.374 flat angles C4'-P-C4' energy: -169.554 flat angles P-C4'-P energy: -108.557 tors. eta vs tors. theta energy: -220.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2295.879390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.879390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.879390 (E_RNA) where: Base-Base interactions energy: -1571.974 where: short stacking energy: -685.882 Base-Backbone interact. energy: -5.130 local terms energy: -718.776038 where: bonds (distance) C4'-P energy: -138.562 bonds (distance) P-C4' energy: -147.983 flat angles C4'-P-C4' energy: -148.009 flat angles P-C4'-P energy: -110.895 tors. eta vs tors. theta energy: -173.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1963.141840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.141840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.141840 (E_RNA) where: Base-Base interactions energy: -1251.362 where: short stacking energy: -587.836 Base-Backbone interact. energy: -3.275 local terms energy: -708.504358 where: bonds (distance) C4'-P energy: -136.767 bonds (distance) P-C4' energy: -145.704 flat angles C4'-P-C4' energy: -161.456 flat angles P-C4'-P energy: -114.031 tors. eta vs tors. theta energy: -150.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1419.613431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.613431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.613431 (E_RNA) where: Base-Base interactions energy: -871.497 where: short stacking energy: -383.170 Base-Backbone interact. energy: -1.544 local terms energy: -546.572400 where: bonds (distance) C4'-P energy: -132.396 bonds (distance) P-C4' energy: -128.212 flat angles C4'-P-C4' energy: -118.081 flat angles P-C4'-P energy: -103.924 tors. eta vs tors. theta energy: -63.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1080.964052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.964052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.964052 (E_RNA) where: Base-Base interactions energy: -624.939 where: short stacking energy: -316.279 Base-Backbone interact. energy: 2.797 local terms energy: -458.821750 where: bonds (distance) C4'-P energy: -126.486 bonds (distance) P-C4' energy: -134.598 flat angles C4'-P-C4' energy: -123.754 flat angles P-C4'-P energy: -56.754 tors. eta vs tors. theta energy: -17.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3152.191627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.191627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.191627 (E_RNA) where: Base-Base interactions energy: -2175.767 where: short stacking energy: -955.919 Base-Backbone interact. energy: -0.205 local terms energy: -976.219793 where: bonds (distance) C4'-P energy: -176.570 bonds (distance) P-C4' energy: -173.982 flat angles C4'-P-C4' energy: -212.383 flat angles P-C4'-P energy: -126.803 tors. eta vs tors. theta energy: -286.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2989.600280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.600280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.600280 (E_RNA) where: Base-Base interactions energy: -2100.429 where: short stacking energy: -896.330 Base-Backbone interact. energy: -0.996 local terms energy: -888.175119 where: bonds (distance) C4'-P energy: -155.983 bonds (distance) P-C4' energy: -149.440 flat angles C4'-P-C4' energy: -189.076 flat angles P-C4'-P energy: -127.356 tors. eta vs tors. theta energy: -266.321 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: 4 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2920.965720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.965720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.965720 (E_RNA) where: Base-Base interactions energy: -2028.743 where: short stacking energy: -889.001 Base-Backbone interact. energy: -3.123 local terms energy: -889.099865 where: bonds (distance) C4'-P energy: -165.113 bonds (distance) P-C4' energy: -158.431 flat angles C4'-P-C4' energy: -173.836 flat angles P-C4'-P energy: -129.837 tors. eta vs tors. theta energy: -261.883 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: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2799.601574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.601574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.601574 (E_RNA) where: Base-Base interactions energy: -1937.141 where: short stacking energy: -849.392 Base-Backbone interact. energy: -2.057 local terms energy: -860.403521 where: bonds (distance) C4'-P energy: -148.810 bonds (distance) P-C4' energy: -152.898 flat angles C4'-P-C4' energy: -175.422 flat angles P-C4'-P energy: -126.150 tors. eta vs tors. theta energy: -257.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2696.565635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.565635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.565635 (E_RNA) where: Base-Base interactions energy: -1877.611 where: short stacking energy: -819.111 Base-Backbone interact. energy: -0.708 local terms energy: -818.246249 where: bonds (distance) C4'-P energy: -141.861 bonds (distance) P-C4' energy: -157.451 flat angles C4'-P-C4' energy: -176.595 flat angles P-C4'-P energy: -106.566 tors. eta vs tors. theta energy: -235.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2573.771222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.771222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.771222 (E_RNA) where: Base-Base interactions energy: -1810.309 where: short stacking energy: -775.802 Base-Backbone interact. energy: 3.445 local terms energy: -766.907363 where: bonds (distance) C4'-P energy: -133.220 bonds (distance) P-C4' energy: -131.211 flat angles C4'-P-C4' energy: -159.957 flat angles P-C4'-P energy: -118.079 tors. eta vs tors. theta energy: -224.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2326.904842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.904842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.904842 (E_RNA) where: Base-Base interactions energy: -1619.287 where: short stacking energy: -684.278 Base-Backbone interact. energy: -4.093 local terms energy: -703.525091 where: bonds (distance) C4'-P energy: -132.819 bonds (distance) P-C4' energy: -150.595 flat angles C4'-P-C4' energy: -157.170 flat angles P-C4'-P energy: -93.550 tors. eta vs tors. theta energy: -169.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1922.097454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.097454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.097454 (E_RNA) where: Base-Base interactions energy: -1279.032 where: short stacking energy: -606.456 Base-Backbone interact. energy: -1.444 local terms energy: -641.621174 where: bonds (distance) C4'-P energy: -135.463 bonds (distance) P-C4' energy: -134.659 flat angles C4'-P-C4' energy: -144.202 flat angles P-C4'-P energy: -87.328 tors. eta vs tors. theta energy: -139.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1392.820728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.820728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.820728 (E_RNA) where: Base-Base interactions energy: -844.913 where: short stacking energy: -397.558 Base-Backbone interact. energy: -1.333 local terms energy: -546.574087 where: bonds (distance) C4'-P energy: -118.334 bonds (distance) P-C4' energy: -143.086 flat angles C4'-P-C4' energy: -128.109 flat angles P-C4'-P energy: -101.232 tors. eta vs tors. theta energy: -55.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1062.509920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.509920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.509920 (E_RNA) where: Base-Base interactions energy: -608.129 where: short stacking energy: -295.412 Base-Backbone interact. energy: -1.594 local terms energy: -452.786302 where: bonds (distance) C4'-P energy: -127.744 bonds (distance) P-C4' energy: -133.737 flat angles C4'-P-C4' energy: -114.011 flat angles P-C4'-P energy: -54.533 tors. eta vs tors. theta energy: -22.762 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: 3 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3118.104531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.104531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.104531 (E_RNA) where: Base-Base interactions energy: -2200.265 where: short stacking energy: -924.500 Base-Backbone interact. energy: -0.573 local terms energy: -917.266232 where: bonds (distance) C4'-P energy: -166.565 bonds (distance) P-C4' energy: -149.950 flat angles C4'-P-C4' energy: -195.877 flat angles P-C4'-P energy: -125.826 tors. eta vs tors. theta energy: -279.048 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: 353 Temperature: 0.950000 Total energy: -2967.199873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.199873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.199873 (E_RNA) where: Base-Base interactions energy: -2077.129 where: short stacking energy: -891.183 Base-Backbone interact. energy: -3.136 local terms energy: -886.934399 where: bonds (distance) C4'-P energy: -153.095 bonds (distance) P-C4' energy: -170.781 flat angles C4'-P-C4' energy: -182.589 flat angles P-C4'-P energy: -122.619 tors. eta vs tors. theta energy: -257.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2972.642017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.642017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.642017 (E_RNA) where: Base-Base interactions energy: -2060.798 where: short stacking energy: -910.872 Base-Backbone interact. energy: -2.010 local terms energy: -909.834610 where: bonds (distance) C4'-P energy: -170.067 bonds (distance) P-C4' energy: -172.597 flat angles C4'-P-C4' energy: -182.741 flat angles P-C4'-P energy: -117.211 tors. eta vs tors. theta energy: -267.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2731.427267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.427267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.427267 (E_RNA) where: Base-Base interactions energy: -1871.077 where: short stacking energy: -836.027 Base-Backbone interact. energy: -3.268 local terms energy: -857.082904 where: bonds (distance) C4'-P energy: -138.750 bonds (distance) P-C4' energy: -156.080 flat angles C4'-P-C4' energy: -182.223 flat angles P-C4'-P energy: -129.373 tors. eta vs tors. theta energy: -250.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2704.701750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.701750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.701750 (E_RNA) where: Base-Base interactions energy: -1862.082 where: short stacking energy: -809.834 Base-Backbone interact. energy: -0.023 local terms energy: -842.596977 where: bonds (distance) C4'-P energy: -147.700 bonds (distance) P-C4' energy: -165.204 flat angles C4'-P-C4' energy: -176.638 flat angles P-C4'-P energy: -106.819 tors. eta vs tors. theta energy: -246.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2417.352529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.352529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.352529 (E_RNA) where: Base-Base interactions energy: -1659.407 where: short stacking energy: -712.349 Base-Backbone interact. energy: -4.436 local terms energy: -753.508801 where: bonds (distance) C4'-P energy: -129.175 bonds (distance) P-C4' energy: -141.633 flat angles C4'-P-C4' energy: -164.379 flat angles P-C4'-P energy: -110.242 tors. eta vs tors. theta energy: -208.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2388.148607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.148607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.148607 (E_RNA) where: Base-Base interactions energy: -1679.955 where: short stacking energy: -702.391 Base-Backbone interact. energy: -0.309 local terms energy: -707.884941 where: bonds (distance) C4'-P energy: -144.468 bonds (distance) P-C4' energy: -139.949 flat angles C4'-P-C4' energy: -152.378 flat angles P-C4'-P energy: -85.715 tors. eta vs tors. theta energy: -185.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1894.623723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.623723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.623723 (E_RNA) where: Base-Base interactions energy: -1253.732 where: short stacking energy: -563.002 Base-Backbone interact. energy: 3.524 local terms energy: -644.416053 where: bonds (distance) C4'-P energy: -136.061 bonds (distance) P-C4' energy: -117.892 flat angles C4'-P-C4' energy: -172.894 flat angles P-C4'-P energy: -92.170 tors. eta vs tors. theta energy: -125.399 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: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1465.421813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.421813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.421813 (E_RNA) where: Base-Base interactions energy: -899.884 where: short stacking energy: -425.900 Base-Backbone interact. energy: 4.910 local terms energy: -570.447399 where: bonds (distance) C4'-P energy: -131.157 bonds (distance) P-C4' energy: -151.000 flat angles C4'-P-C4' energy: -131.828 flat angles P-C4'-P energy: -95.008 tors. eta vs tors. theta energy: -61.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1118.877415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.877415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.877415 (E_RNA) where: Base-Base interactions energy: -670.377 where: short stacking energy: -324.250 Base-Backbone interact. energy: 2.129 local terms energy: -450.628915 where: bonds (distance) C4'-P energy: -142.666 bonds (distance) P-C4' energy: -113.028 flat angles C4'-P-C4' energy: -98.802 flat angles P-C4'-P energy: -74.390 tors. eta vs tors. theta energy: -21.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3136.338236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.338236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.338236 (E_RNA) where: Base-Base interactions energy: -2197.388 where: short stacking energy: -936.716 Base-Backbone interact. energy: -5.528 local terms energy: -933.422096 where: bonds (distance) C4'-P energy: -166.297 bonds (distance) P-C4' energy: -176.469 flat angles C4'-P-C4' energy: -197.367 flat angles P-C4'-P energy: -110.257 tors. eta vs tors. theta energy: -283.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2936.884189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.884189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.884189 (E_RNA) where: Base-Base interactions energy: -2046.525 where: short stacking energy: -892.976 Base-Backbone interact. energy: 1.741 local terms energy: -892.100231 where: bonds (distance) C4'-P energy: -158.614 bonds (distance) P-C4' energy: -162.734 flat angles C4'-P-C4' energy: -183.173 flat angles P-C4'-P energy: -124.847 tors. eta vs tors. theta energy: -262.733 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: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2906.130278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.130278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.130278 (E_RNA) where: Base-Base interactions energy: -2039.157 where: short stacking energy: -871.339 Base-Backbone interact. energy: -0.337 local terms energy: -866.636361 where: bonds (distance) C4'-P energy: -148.931 bonds (distance) P-C4' energy: -141.897 flat angles C4'-P-C4' energy: -191.263 flat angles P-C4'-P energy: -135.776 tors. eta vs tors. theta energy: -248.769 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: 8 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2777.344772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.344772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.344772 (E_RNA) where: Base-Base interactions energy: -1944.179 where: short stacking energy: -864.649 Base-Backbone interact. energy: -3.484 local terms energy: -829.682104 where: bonds (distance) C4'-P energy: -139.428 bonds (distance) P-C4' energy: -129.172 flat angles C4'-P-C4' energy: -186.244 flat angles P-C4'-P energy: -119.694 tors. eta vs tors. theta energy: -255.144 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: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2641.915623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.915623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.915623 (E_RNA) where: Base-Base interactions energy: -1829.805 where: short stacking energy: -780.647 Base-Backbone interact. energy: -1.640 local terms energy: -810.470276 where: bonds (distance) C4'-P energy: -150.236 bonds (distance) P-C4' energy: -139.553 flat angles C4'-P-C4' energy: -178.362 flat angles P-C4'-P energy: -107.224 tors. eta vs tors. theta energy: -235.095 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: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2428.973741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.973741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.973741 (E_RNA) where: Base-Base interactions energy: -1707.902 where: short stacking energy: -755.183 Base-Backbone interact. energy: -1.644 local terms energy: -719.428145 where: bonds (distance) C4'-P energy: -124.851 bonds (distance) P-C4' energy: -124.087 flat angles C4'-P-C4' energy: -164.590 flat angles P-C4'-P energy: -111.237 tors. eta vs tors. theta energy: -194.662 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: 7 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2402.207311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.207311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.207311 (E_RNA) where: Base-Base interactions energy: -1636.279 where: short stacking energy: -710.774 Base-Backbone interact. energy: -5.579 local terms energy: -760.349058 where: bonds (distance) C4'-P energy: -138.520 bonds (distance) P-C4' energy: -157.520 flat angles C4'-P-C4' energy: -165.497 flat angles P-C4'-P energy: -110.471 tors. eta vs tors. theta energy: -188.341 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: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1994.544567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.544567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.544567 (E_RNA) where: Base-Base interactions energy: -1328.701 where: short stacking energy: -622.104 Base-Backbone interact. energy: -2.400 local terms energy: -663.443586 where: bonds (distance) C4'-P energy: -123.616 bonds (distance) P-C4' energy: -131.576 flat angles C4'-P-C4' energy: -166.522 flat angles P-C4'-P energy: -69.881 tors. eta vs tors. theta energy: -171.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1508.529413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.529413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.529413 (E_RNA) where: Base-Base interactions energy: -952.283 where: short stacking energy: -447.440 Base-Backbone interact. energy: 1.463 local terms energy: -557.709560 where: bonds (distance) C4'-P energy: -130.563 bonds (distance) P-C4' energy: -132.976 flat angles C4'-P-C4' energy: -114.529 flat angles P-C4'-P energy: -91.024 tors. eta vs tors. theta energy: -88.617 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: 9 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1093.761584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.761584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.761584 (E_RNA) where: Base-Base interactions energy: -605.796 where: short stacking energy: -324.762 Base-Backbone interact. energy: -2.072 local terms energy: -485.893273 where: bonds (distance) C4'-P energy: -137.834 bonds (distance) P-C4' energy: -128.232 flat angles C4'-P-C4' energy: -122.317 flat angles P-C4'-P energy: -76.314 tors. eta vs tors. theta energy: -21.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3115.425943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.425943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.425943 (E_RNA) where: Base-Base interactions energy: -2190.561 where: short stacking energy: -926.561 Base-Backbone interact. energy: -4.649 local terms energy: -920.216249 where: bonds (distance) C4'-P energy: -150.494 bonds (distance) P-C4' energy: -175.595 flat angles C4'-P-C4' energy: -197.191 flat angles P-C4'-P energy: -125.474 tors. eta vs tors. theta energy: -271.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2990.120076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.120076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.120076 (E_RNA) where: Base-Base interactions energy: -2102.117 where: short stacking energy: -879.665 Base-Backbone interact. energy: 0.850 local terms energy: -888.853066 where: bonds (distance) C4'-P energy: -157.871 bonds (distance) P-C4' energy: -172.879 flat angles C4'-P-C4' energy: -180.250 flat angles P-C4'-P energy: -128.770 tors. eta vs tors. theta energy: -249.083 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: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2933.594410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.594410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.594410 (E_RNA) where: Base-Base interactions energy: -2056.178 where: short stacking energy: -866.055 Base-Backbone interact. energy: -1.934 local terms energy: -875.481767 where: bonds (distance) C4'-P energy: -156.736 bonds (distance) P-C4' energy: -162.818 flat angles C4'-P-C4' energy: -180.411 flat angles P-C4'-P energy: -121.298 tors. eta vs tors. theta energy: -254.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2764.821322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.821322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.821322 (E_RNA) where: Base-Base interactions energy: -1910.515 where: short stacking energy: -836.183 Base-Backbone interact. energy: -3.118 local terms energy: -851.188309 where: bonds (distance) C4'-P energy: -138.944 bonds (distance) P-C4' energy: -151.981 flat angles C4'-P-C4' energy: -194.144 flat angles P-C4'-P energy: -119.135 tors. eta vs tors. theta energy: -246.985 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: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2651.941297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.941297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.941297 (E_RNA) where: Base-Base interactions energy: -1821.768 where: short stacking energy: -805.079 Base-Backbone interact. energy: -2.575 local terms energy: -827.598501 where: bonds (distance) C4'-P energy: -159.305 bonds (distance) P-C4' energy: -141.386 flat angles C4'-P-C4' energy: -180.144 flat angles P-C4'-P energy: -116.545 tors. eta vs tors. theta energy: -230.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2432.968222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.968222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.968222 (E_RNA) where: Base-Base interactions energy: -1701.643 where: short stacking energy: -724.659 Base-Backbone interact. energy: 2.976 local terms energy: -734.301092 where: bonds (distance) C4'-P energy: -134.713 bonds (distance) P-C4' energy: -148.735 flat angles C4'-P-C4' energy: -154.892 flat angles P-C4'-P energy: -98.335 tors. eta vs tors. theta energy: -197.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2387.573295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.573295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.573295 (E_RNA) where: Base-Base interactions energy: -1694.197 where: short stacking energy: -705.406 Base-Backbone interact. energy: -1.835 local terms energy: -691.541314 where: bonds (distance) C4'-P energy: -130.401 bonds (distance) P-C4' energy: -128.779 flat angles C4'-P-C4' energy: -159.353 flat angles P-C4'-P energy: -83.227 tors. eta vs tors. theta energy: -189.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1985.716789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.716789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.716789 (E_RNA) where: Base-Base interactions energy: -1338.136 where: short stacking energy: -628.413 Base-Backbone interact. energy: 0.497 local terms energy: -648.077967 where: bonds (distance) C4'-P energy: -123.133 bonds (distance) P-C4' energy: -130.181 flat angles C4'-P-C4' energy: -150.531 flat angles P-C4'-P energy: -91.719 tors. eta vs tors. theta energy: -152.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1466.029689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.029689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.029689 (E_RNA) where: Base-Base interactions energy: -902.868 where: short stacking energy: -446.478 Base-Backbone interact. energy: -3.436 local terms energy: -559.725817 where: bonds (distance) C4'-P energy: -120.363 bonds (distance) P-C4' energy: -133.276 flat angles C4'-P-C4' energy: -141.305 flat angles P-C4'-P energy: -79.788 tors. eta vs tors. theta energy: -84.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1116.021330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.021330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.021330 (E_RNA) where: Base-Base interactions energy: -655.364 where: short stacking energy: -344.431 Base-Backbone interact. energy: 1.394 local terms energy: -462.051518 where: bonds (distance) C4'-P energy: -108.191 bonds (distance) P-C4' energy: -144.099 flat angles C4'-P-C4' energy: -112.892 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -32.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3121.261804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.261804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.261804 (E_RNA) where: Base-Base interactions energy: -2187.546 where: short stacking energy: -935.584 Base-Backbone interact. energy: -1.729 local terms energy: -931.986640 where: bonds (distance) C4'-P energy: -167.438 bonds (distance) P-C4' energy: -174.775 flat angles C4'-P-C4' energy: -189.758 flat angles P-C4'-P energy: -129.014 tors. eta vs tors. theta energy: -271.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -3002.776020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.776020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.776020 (E_RNA) where: Base-Base interactions energy: -2095.247 where: short stacking energy: -896.688 Base-Backbone interact. energy: -4.691 local terms energy: -902.838055 where: bonds (distance) C4'-P energy: -150.986 bonds (distance) P-C4' energy: -170.853 flat angles C4'-P-C4' energy: -177.493 flat angles P-C4'-P energy: -132.627 tors. eta vs tors. theta energy: -270.879 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: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2889.522258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.522258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.522258 (E_RNA) where: Base-Base interactions energy: -2030.600 where: short stacking energy: -837.272 Base-Backbone interact. energy: -3.978 local terms energy: -854.944097 where: bonds (distance) C4'-P energy: -137.873 bonds (distance) P-C4' energy: -160.662 flat angles C4'-P-C4' energy: -186.038 flat angles P-C4'-P energy: -124.765 tors. eta vs tors. theta energy: -245.605 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: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2802.260148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.260148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.260148 (E_RNA) where: Base-Base interactions energy: -1960.297 where: short stacking energy: -876.623 Base-Backbone interact. energy: -2.797 local terms energy: -839.166208 where: bonds (distance) C4'-P energy: -132.495 bonds (distance) P-C4' energy: -158.128 flat angles C4'-P-C4' energy: -176.218 flat angles P-C4'-P energy: -121.652 tors. eta vs tors. theta energy: -250.673 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: 5, replica: 2 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2674.655004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.655004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.655004 (E_RNA) where: Base-Base interactions energy: -1833.657 where: short stacking energy: -812.776 Base-Backbone interact. energy: -2.545 local terms energy: -838.453196 where: bonds (distance) C4'-P energy: -136.245 bonds (distance) P-C4' energy: -160.356 flat angles C4'-P-C4' energy: -175.822 flat angles P-C4'-P energy: -135.112 tors. eta vs tors. theta energy: -230.918 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: 6 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2439.212301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.212301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.212301 (E_RNA) where: Base-Base interactions energy: -1693.822 where: short stacking energy: -728.364 Base-Backbone interact. energy: -2.524 local terms energy: -742.866526 where: bonds (distance) C4'-P energy: -137.469 bonds (distance) P-C4' energy: -128.150 flat angles C4'-P-C4' energy: -170.550 flat angles P-C4'-P energy: -96.839 tors. eta vs tors. theta energy: -209.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2368.529788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.529788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.529788 (E_RNA) where: Base-Base interactions energy: -1673.904 where: short stacking energy: -727.236 Base-Backbone interact. energy: 3.867 local terms energy: -698.492939 where: bonds (distance) C4'-P energy: -119.502 bonds (distance) P-C4' energy: -131.468 flat angles C4'-P-C4' energy: -181.151 flat angles P-C4'-P energy: -74.694 tors. eta vs tors. theta energy: -191.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1984.077882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.077882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.077882 (E_RNA) where: Base-Base interactions energy: -1326.361 where: short stacking energy: -617.690 Base-Backbone interact. energy: 1.027 local terms energy: -658.744547 where: bonds (distance) C4'-P energy: -148.495 bonds (distance) P-C4' energy: -148.989 flat angles C4'-P-C4' energy: -114.784 flat angles P-C4'-P energy: -90.805 tors. eta vs tors. theta energy: -155.672 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: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1482.793170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.793170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.793170 (E_RNA) where: Base-Base interactions energy: -957.502 where: short stacking energy: -415.709 Base-Backbone interact. energy: 5.988 local terms energy: -531.278792 where: bonds (distance) C4'-P energy: -132.042 bonds (distance) P-C4' energy: -122.047 flat angles C4'-P-C4' energy: -132.120 flat angles P-C4'-P energy: -89.260 tors. eta vs tors. theta energy: -55.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1069.035319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.035319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.035319 (E_RNA) where: Base-Base interactions energy: -602.392 where: short stacking energy: -318.998 Base-Backbone interact. energy: -3.859 local terms energy: -462.784755 where: bonds (distance) C4'-P energy: -113.133 bonds (distance) P-C4' energy: -131.929 flat angles C4'-P-C4' energy: -133.409 flat angles P-C4'-P energy: -65.151 tors. eta vs tors. theta energy: -19.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3136.939490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.939490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.939490 (E_RNA) where: Base-Base interactions energy: -2197.706 where: short stacking energy: -930.753 Base-Backbone interact. energy: -1.194 local terms energy: -938.039062 where: bonds (distance) C4'-P energy: -161.452 bonds (distance) P-C4' energy: -177.873 flat angles C4'-P-C4' energy: -183.339 flat angles P-C4'-P energy: -137.016 tors. eta vs tors. theta energy: -278.359 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: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -3004.231131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.231131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.231131 (E_RNA) where: Base-Base interactions energy: -2095.733 where: short stacking energy: -901.682 Base-Backbone interact. energy: -1.900 local terms energy: -906.598412 where: bonds (distance) C4'-P energy: -160.168 bonds (distance) P-C4' energy: -152.149 flat angles C4'-P-C4' energy: -183.845 flat angles P-C4'-P energy: -132.024 tors. eta vs tors. theta energy: -278.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2878.045936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.045936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.045936 (E_RNA) where: Base-Base interactions energy: -2009.934 where: short stacking energy: -872.074 Base-Backbone interact. energy: -4.366 local terms energy: -863.745542 where: bonds (distance) C4'-P energy: -149.087 bonds (distance) P-C4' energy: -161.761 flat angles C4'-P-C4' energy: -173.598 flat angles P-C4'-P energy: -121.976 tors. eta vs tors. theta energy: -257.324 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: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2804.055801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.055801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.055801 (E_RNA) where: Base-Base interactions energy: -1921.908 where: short stacking energy: -852.464 Base-Backbone interact. energy: -2.131 local terms energy: -880.017150 where: bonds (distance) C4'-P energy: -162.573 bonds (distance) P-C4' energy: -161.935 flat angles C4'-P-C4' energy: -184.975 flat angles P-C4'-P energy: -118.692 tors. eta vs tors. theta energy: -251.843 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: 5, replica: 2 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2735.475210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.475210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.475210 (E_RNA) where: Base-Base interactions energy: -1880.897 where: short stacking energy: -811.906 Base-Backbone interact. energy: -4.124 local terms energy: -850.454271 where: bonds (distance) C4'-P energy: -152.768 bonds (distance) P-C4' energy: -166.942 flat angles C4'-P-C4' energy: -168.574 flat angles P-C4'-P energy: -118.062 tors. eta vs tors. theta energy: -244.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2496.758272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.758272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.758272 (E_RNA) where: Base-Base interactions energy: -1738.910 where: short stacking energy: -735.621 Base-Backbone interact. energy: -4.766 local terms energy: -753.081988 where: bonds (distance) C4'-P energy: -123.576 bonds (distance) P-C4' energy: -143.389 flat angles C4'-P-C4' energy: -151.053 flat angles P-C4'-P energy: -114.268 tors. eta vs tors. theta energy: -220.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2404.386962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.386962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.386962 (E_RNA) where: Base-Base interactions energy: -1660.403 where: short stacking energy: -702.830 Base-Backbone interact. energy: 7.531 local terms energy: -751.514540 where: bonds (distance) C4'-P energy: -134.577 bonds (distance) P-C4' energy: -149.457 flat angles C4'-P-C4' energy: -166.005 flat angles P-C4'-P energy: -105.119 tors. eta vs tors. theta energy: -196.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1898.297930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.297930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.297930 (E_RNA) where: Base-Base interactions energy: -1271.155 where: short stacking energy: -567.129 Base-Backbone interact. energy: -3.704 local terms energy: -623.439285 where: bonds (distance) C4'-P energy: -125.507 bonds (distance) P-C4' energy: -135.876 flat angles C4'-P-C4' energy: -145.853 flat angles P-C4'-P energy: -83.464 tors. eta vs tors. theta energy: -132.738 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: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1485.462993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.462993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.462993 (E_RNA) where: Base-Base interactions energy: -933.935 where: short stacking energy: -443.210 Base-Backbone interact. energy: -3.598 local terms energy: -547.930208 where: bonds (distance) C4'-P energy: -140.897 bonds (distance) P-C4' energy: -127.155 flat angles C4'-P-C4' energy: -124.010 flat angles P-C4'-P energy: -80.326 tors. eta vs tors. theta energy: -75.542 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: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1047.685214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.685214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.685214 (E_RNA) where: Base-Base interactions energy: -580.671 where: short stacking energy: -326.749 Base-Backbone interact. energy: -0.614 local terms energy: -466.400452 where: bonds (distance) C4'-P energy: -133.994 bonds (distance) P-C4' energy: -123.663 flat angles C4'-P-C4' energy: -122.169 flat angles P-C4'-P energy: -72.068 tors. eta vs tors. theta energy: -14.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3115.367370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.367370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.367370 (E_RNA) where: Base-Base interactions energy: -2177.368 where: short stacking energy: -910.477 Base-Backbone interact. energy: -0.588 local terms energy: -937.411299 where: bonds (distance) C4'-P energy: -160.718 bonds (distance) P-C4' energy: -180.372 flat angles C4'-P-C4' energy: -198.181 flat angles P-C4'-P energy: -131.779 tors. eta vs tors. theta energy: -266.361 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: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -3003.964325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.964325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.964325 (E_RNA) where: Base-Base interactions energy: -2105.026 where: short stacking energy: -920.463 Base-Backbone interact. energy: -3.427 local terms energy: -895.510984 where: bonds (distance) C4'-P energy: -153.763 bonds (distance) P-C4' energy: -148.647 flat angles C4'-P-C4' energy: -193.143 flat angles P-C4'-P energy: -124.764 tors. eta vs tors. theta energy: -275.194 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: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2897.123175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.123175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.123175 (E_RNA) where: Base-Base interactions energy: -2040.302 where: short stacking energy: -888.856 Base-Backbone interact. energy: -3.190 local terms energy: -853.631847 where: bonds (distance) C4'-P energy: -127.915 bonds (distance) P-C4' energy: -145.244 flat angles C4'-P-C4' energy: -193.652 flat angles P-C4'-P energy: -125.710 tors. eta vs tors. theta energy: -261.111 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: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2751.008206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.008206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.008206 (E_RNA) where: Base-Base interactions energy: -1885.828 where: short stacking energy: -853.762 Base-Backbone interact. energy: -3.318 local terms energy: -861.861722 where: bonds (distance) C4'-P energy: -164.860 bonds (distance) P-C4' energy: -160.857 flat angles C4'-P-C4' energy: -172.933 flat angles P-C4'-P energy: -116.644 tors. eta vs tors. theta energy: -246.567 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: 2 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2713.721983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.721983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.721983 (E_RNA) where: Base-Base interactions energy: -1913.576 where: short stacking energy: -836.943 Base-Backbone interact. energy: 2.040 local terms energy: -802.185304 where: bonds (distance) C4'-P energy: -152.244 bonds (distance) P-C4' energy: -142.690 flat angles C4'-P-C4' energy: -172.307 flat angles P-C4'-P energy: -92.207 tors. eta vs tors. theta energy: -242.738 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: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2514.897834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.897834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.897834 (E_RNA) where: Base-Base interactions energy: -1755.656 where: short stacking energy: -730.438 Base-Backbone interact. energy: 0.746 local terms energy: -759.987778 where: bonds (distance) C4'-P energy: -137.844 bonds (distance) P-C4' energy: -130.889 flat angles C4'-P-C4' energy: -172.230 flat angles P-C4'-P energy: -115.835 tors. eta vs tors. theta energy: -203.190 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: 358 Temperature: 1.200000 Total energy: -2397.156873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.156873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.156873 (E_RNA) where: Base-Base interactions energy: -1663.615 where: short stacking energy: -691.444 Base-Backbone interact. energy: -3.062 local terms energy: -730.479740 where: bonds (distance) C4'-P energy: -119.564 bonds (distance) P-C4' energy: -155.251 flat angles C4'-P-C4' energy: -166.287 flat angles P-C4'-P energy: -98.745 tors. eta vs tors. theta energy: -190.632 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: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1971.377126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.377126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.377126 (E_RNA) where: Base-Base interactions energy: -1294.872 where: short stacking energy: -590.255 Base-Backbone interact. energy: -2.115 local terms energy: -674.389751 where: bonds (distance) C4'-P energy: -122.247 bonds (distance) P-C4' energy: -137.667 flat angles C4'-P-C4' energy: -157.232 flat angles P-C4'-P energy: -104.165 tors. eta vs tors. theta energy: -153.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1451.506444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.506444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.506444 (E_RNA) where: Base-Base interactions energy: -910.202 where: short stacking energy: -424.870 Base-Backbone interact. energy: 0.545 local terms energy: -541.849385 where: bonds (distance) C4'-P energy: -125.412 bonds (distance) P-C4' energy: -147.914 flat angles C4'-P-C4' energy: -140.309 flat angles P-C4'-P energy: -68.072 tors. eta vs tors. theta energy: -60.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1111.158250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.158250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.158250 (E_RNA) where: Base-Base interactions energy: -646.530 where: short stacking energy: -323.921 Base-Backbone interact. energy: -1.277 local terms energy: -463.351391 where: bonds (distance) C4'-P energy: -119.806 bonds (distance) P-C4' energy: -138.357 flat angles C4'-P-C4' energy: -117.037 flat angles P-C4'-P energy: -70.324 tors. eta vs tors. theta energy: -17.826 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: 3 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3098.912280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.912280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.912280 (E_RNA) where: Base-Base interactions energy: -2159.377 where: short stacking energy: -926.932 Base-Backbone interact. energy: -3.595 local terms energy: -935.940666 where: bonds (distance) C4'-P energy: -168.758 bonds (distance) P-C4' energy: -178.269 flat angles C4'-P-C4' energy: -189.408 flat angles P-C4'-P energy: -125.897 tors. eta vs tors. theta energy: -273.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -3008.984278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.984278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.984278 (E_RNA) where: Base-Base interactions energy: -2106.133 where: short stacking energy: -890.624 Base-Backbone interact. energy: 0.307 local terms energy: -903.158134 where: bonds (distance) C4'-P energy: -160.681 bonds (distance) P-C4' energy: -174.321 flat angles C4'-P-C4' energy: -169.807 flat angles P-C4'-P energy: -129.257 tors. eta vs tors. theta energy: -269.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2869.725342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.725342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.725342 (E_RNA) where: Base-Base interactions energy: -2025.410 where: short stacking energy: -878.654 Base-Backbone interact. energy: -4.587 local terms energy: -839.729208 where: bonds (distance) C4'-P energy: -156.102 bonds (distance) P-C4' energy: -137.883 flat angles C4'-P-C4' energy: -180.293 flat angles P-C4'-P energy: -115.360 tors. eta vs tors. theta energy: -250.091 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: 359 Temperature: 1.050000 Total energy: -2799.737026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.737026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.737026 (E_RNA) where: Base-Base interactions energy: -1925.978 where: short stacking energy: -856.422 Base-Backbone interact. energy: -0.364 local terms energy: -873.395170 where: bonds (distance) C4'-P energy: -161.421 bonds (distance) P-C4' energy: -158.843 flat angles C4'-P-C4' energy: -176.035 flat angles P-C4'-P energy: -118.407 tors. eta vs tors. theta energy: -258.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2733.481130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.481130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.481130 (E_RNA) where: Base-Base interactions energy: -1895.486 where: short stacking energy: -845.168 Base-Backbone interact. energy: -2.266 local terms energy: -835.729130 where: bonds (distance) C4'-P energy: -156.371 bonds (distance) P-C4' energy: -136.530 flat angles C4'-P-C4' energy: -181.668 flat angles P-C4'-P energy: -117.075 tors. eta vs tors. theta energy: -244.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2525.426788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.426788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.426788 (E_RNA) where: Base-Base interactions energy: -1766.775 where: short stacking energy: -748.471 Base-Backbone interact. energy: -4.055 local terms energy: -754.596917 where: bonds (distance) C4'-P energy: -127.197 bonds (distance) P-C4' energy: -132.819 flat angles C4'-P-C4' energy: -171.200 flat angles P-C4'-P energy: -118.663 tors. eta vs tors. theta energy: -204.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2408.549673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.549673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.549673 (E_RNA) where: Base-Base interactions energy: -1694.537 where: short stacking energy: -701.712 Base-Backbone interact. energy: 9.427 local terms energy: -723.440365 where: bonds (distance) C4'-P energy: -126.477 bonds (distance) P-C4' energy: -144.207 flat angles C4'-P-C4' energy: -162.714 flat angles P-C4'-P energy: -101.219 tors. eta vs tors. theta energy: -188.823 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: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1912.869527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.869527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.869527 (E_RNA) where: Base-Base interactions energy: -1275.878 where: short stacking energy: -560.691 Base-Backbone interact. energy: -0.484 local terms energy: -636.507071 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -142.729 flat angles C4'-P-C4' energy: -131.315 flat angles P-C4'-P energy: -94.967 tors. eta vs tors. theta energy: -129.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1410.967997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.967997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.967997 (E_RNA) where: Base-Base interactions energy: -870.344 where: short stacking energy: -377.127 Base-Backbone interact. energy: -0.443 local terms energy: -540.181523 where: bonds (distance) C4'-P energy: -134.549 bonds (distance) P-C4' energy: -129.473 flat angles C4'-P-C4' energy: -143.223 flat angles P-C4'-P energy: -69.028 tors. eta vs tors. theta energy: -63.908 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: 9 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1053.952128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.952128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.952128 (E_RNA) where: Base-Base interactions energy: -603.175 where: short stacking energy: -308.622 Base-Backbone interact. energy: 3.765 local terms energy: -454.542470 where: bonds (distance) C4'-P energy: -128.762 bonds (distance) P-C4' energy: -113.273 flat angles C4'-P-C4' energy: -100.627 flat angles P-C4'-P energy: -91.874 tors. eta vs tors. theta energy: -20.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3116.813819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.813819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.813819 (E_RNA) where: Base-Base interactions energy: -2202.268 where: short stacking energy: -937.908 Base-Backbone interact. energy: -5.546 local terms energy: -908.999658 where: bonds (distance) C4'-P energy: -159.798 bonds (distance) P-C4' energy: -162.837 flat angles C4'-P-C4' energy: -197.063 flat angles P-C4'-P energy: -115.803 tors. eta vs tors. theta energy: -273.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -3027.284687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.284687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.284687 (E_RNA) where: Base-Base interactions energy: -2112.698 where: short stacking energy: -929.863 Base-Backbone interact. energy: -1.956 local terms energy: -912.630499 where: bonds (distance) C4'-P energy: -158.629 bonds (distance) P-C4' energy: -157.725 flat angles C4'-P-C4' energy: -189.783 flat angles P-C4'-P energy: -137.940 tors. eta vs tors. theta energy: -268.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2875.966643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.966643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.966643 (E_RNA) where: Base-Base interactions energy: -2030.384 where: short stacking energy: -871.544 Base-Backbone interact. energy: -5.347 local terms energy: -840.235687 where: bonds (distance) C4'-P energy: -138.081 bonds (distance) P-C4' energy: -150.655 flat angles C4'-P-C4' energy: -176.689 flat angles P-C4'-P energy: -119.090 tors. eta vs tors. theta energy: -255.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2797.696956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.696956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.696956 (E_RNA) where: Base-Base interactions energy: -1930.005 where: short stacking energy: -864.018 Base-Backbone interact. energy: -2.367 local terms energy: -865.324216 where: bonds (distance) C4'-P energy: -149.674 bonds (distance) P-C4' energy: -156.127 flat angles C4'-P-C4' energy: -172.897 flat angles P-C4'-P energy: -124.436 tors. eta vs tors. theta energy: -262.191 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: 8 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2689.746525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.746525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.746525 (E_RNA) where: Base-Base interactions energy: -1883.449 where: short stacking energy: -824.620 Base-Backbone interact. energy: -3.158 local terms energy: -803.139269 where: bonds (distance) C4'-P energy: -125.915 bonds (distance) P-C4' energy: -143.482 flat angles C4'-P-C4' energy: -180.497 flat angles P-C4'-P energy: -113.269 tors. eta vs tors. theta energy: -239.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2539.251540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.251540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.251540 (E_RNA) where: Base-Base interactions energy: -1776.251 where: short stacking energy: -771.026 Base-Backbone interact. energy: -0.429 local terms energy: -762.571776 where: bonds (distance) C4'-P energy: -153.175 bonds (distance) P-C4' energy: -126.534 flat angles C4'-P-C4' energy: -157.801 flat angles P-C4'-P energy: -112.152 tors. eta vs tors. theta energy: -212.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2416.219081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.219081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.219081 (E_RNA) where: Base-Base interactions energy: -1684.808 where: short stacking energy: -703.844 Base-Backbone interact. energy: -4.474 local terms energy: -726.937667 where: bonds (distance) C4'-P energy: -133.624 bonds (distance) P-C4' energy: -141.317 flat angles C4'-P-C4' energy: -150.361 flat angles P-C4'-P energy: -106.865 tors. eta vs tors. theta energy: -194.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1977.930929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.930929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.930929 (E_RNA) where: Base-Base interactions energy: -1341.472 where: short stacking energy: -594.246 Base-Backbone interact. energy: 3.961 local terms energy: -640.419633 where: bonds (distance) C4'-P energy: -126.043 bonds (distance) P-C4' energy: -142.459 flat angles C4'-P-C4' energy: -138.607 flat angles P-C4'-P energy: -90.471 tors. eta vs tors. theta energy: -142.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1440.166644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.166644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.166644 (E_RNA) where: Base-Base interactions energy: -892.351 where: short stacking energy: -433.173 Base-Backbone interact. energy: -3.554 local terms energy: -544.261950 where: bonds (distance) C4'-P energy: -122.449 bonds (distance) P-C4' energy: -135.382 flat angles C4'-P-C4' energy: -130.229 flat angles P-C4'-P energy: -82.447 tors. eta vs tors. theta energy: -73.755 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: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -962.455885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.455885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.455885 (E_RNA) where: Base-Base interactions energy: -503.995 where: short stacking energy: -272.385 Base-Backbone interact. energy: -0.114 local terms energy: -458.347338 where: bonds (distance) C4'-P energy: -121.896 bonds (distance) P-C4' energy: -141.482 flat angles C4'-P-C4' energy: -121.887 flat angles P-C4'-P energy: -69.570 tors. eta vs tors. theta energy: -3.512 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: 361 Temperature: 0.900000 Total energy: -3092.637222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.637222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.637222 (E_RNA) where: Base-Base interactions energy: -2184.211 where: short stacking energy: -953.601 Base-Backbone interact. energy: 0.511 local terms energy: -908.937265 where: bonds (distance) C4'-P energy: -161.010 bonds (distance) P-C4' energy: -160.905 flat angles C4'-P-C4' energy: -197.782 flat angles P-C4'-P energy: -121.680 tors. eta vs tors. theta energy: -267.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -3052.227003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.227003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.227003 (E_RNA) where: Base-Base interactions energy: -2105.629 where: short stacking energy: -920.730 Base-Backbone interact. energy: -2.229 local terms energy: -944.369723 where: bonds (distance) C4'-P energy: -169.628 bonds (distance) P-C4' energy: -172.980 flat angles C4'-P-C4' energy: -200.198 flat angles P-C4'-P energy: -128.107 tors. eta vs tors. theta energy: -273.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2906.834009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.834009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.834009 (E_RNA) where: Base-Base interactions energy: -2040.753 where: short stacking energy: -887.094 Base-Backbone interact. energy: -0.997 local terms energy: -865.084020 where: bonds (distance) C4'-P energy: -154.223 bonds (distance) P-C4' energy: -154.475 flat angles C4'-P-C4' energy: -178.640 flat angles P-C4'-P energy: -115.993 tors. eta vs tors. theta energy: -261.753 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: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2790.063743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.063743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.063743 (E_RNA) where: Base-Base interactions energy: -1941.536 where: short stacking energy: -862.690 Base-Backbone interact. energy: 0.054 local terms energy: -848.582218 where: bonds (distance) C4'-P energy: -140.571 bonds (distance) P-C4' energy: -161.614 flat angles C4'-P-C4' energy: -163.505 flat angles P-C4'-P energy: -124.184 tors. eta vs tors. theta energy: -258.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2710.196127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.196127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.196127 (E_RNA) where: Base-Base interactions energy: -1889.926 where: short stacking energy: -806.393 Base-Backbone interact. energy: 3.045 local terms energy: -823.315908 where: bonds (distance) C4'-P energy: -158.487 bonds (distance) P-C4' energy: -148.970 flat angles C4'-P-C4' energy: -178.094 flat angles P-C4'-P energy: -103.531 tors. eta vs tors. theta energy: -234.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2534.981916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.981916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.981916 (E_RNA) where: Base-Base interactions energy: -1744.970 where: short stacking energy: -755.065 Base-Backbone interact. energy: -2.703 local terms energy: -787.309219 where: bonds (distance) C4'-P energy: -153.049 bonds (distance) P-C4' energy: -146.473 flat angles C4'-P-C4' energy: -169.007 flat angles P-C4'-P energy: -114.044 tors. eta vs tors. theta energy: -204.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2435.775849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.775849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.775849 (E_RNA) where: Base-Base interactions energy: -1677.669 where: short stacking energy: -705.360 Base-Backbone interact. energy: -0.582 local terms energy: -757.525519 where: bonds (distance) C4'-P energy: -135.815 bonds (distance) P-C4' energy: -145.944 flat angles C4'-P-C4' energy: -164.840 flat angles P-C4'-P energy: -104.551 tors. eta vs tors. theta energy: -206.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1978.627763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.627763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.627763 (E_RNA) where: Base-Base interactions energy: -1321.520 where: short stacking energy: -609.878 Base-Backbone interact. energy: 0.791 local terms energy: -657.898786 where: bonds (distance) C4'-P energy: -145.523 bonds (distance) P-C4' energy: -129.529 flat angles C4'-P-C4' energy: -138.811 flat angles P-C4'-P energy: -82.891 tors. eta vs tors. theta energy: -161.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1433.540945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.540945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.540945 (E_RNA) where: Base-Base interactions energy: -892.527 where: short stacking energy: -432.646 Base-Backbone interact. energy: -1.117 local terms energy: -539.896732 where: bonds (distance) C4'-P energy: -137.822 bonds (distance) P-C4' energy: -127.683 flat angles C4'-P-C4' energy: -144.120 flat angles P-C4'-P energy: -81.075 tors. eta vs tors. theta energy: -49.197 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: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1023.098529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.098529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.098529 (E_RNA) where: Base-Base interactions energy: -555.760 where: short stacking energy: -269.719 Base-Backbone interact. energy: -0.648 local terms energy: -466.690868 where: bonds (distance) C4'-P energy: -137.645 bonds (distance) P-C4' energy: -142.363 flat angles C4'-P-C4' energy: -123.550 flat angles P-C4'-P energy: -83.676 tors. eta vs tors. theta energy: 20.542 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: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3083.988290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.988290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.988290 (E_RNA) where: Base-Base interactions energy: -2134.656 where: short stacking energy: -928.075 Base-Backbone interact. energy: -2.696 local terms energy: -946.636558 where: bonds (distance) C4'-P energy: -153.835 bonds (distance) P-C4' energy: -162.587 flat angles C4'-P-C4' energy: -204.299 flat angles P-C4'-P energy: -150.430 tors. eta vs tors. theta energy: -275.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -3068.769312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.769312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.769312 (E_RNA) where: Base-Base interactions energy: -2172.921 where: short stacking energy: -906.955 Base-Backbone interact. energy: 3.395 local terms energy: -899.243616 where: bonds (distance) C4'-P energy: -169.767 bonds (distance) P-C4' energy: -157.772 flat angles C4'-P-C4' energy: -188.152 flat angles P-C4'-P energy: -122.471 tors. eta vs tors. theta energy: -261.082 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: 4 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2941.354469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.354469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.354469 (E_RNA) where: Base-Base interactions energy: -2054.807 where: short stacking energy: -879.826 Base-Backbone interact. energy: -5.175 local terms energy: -881.372373 where: bonds (distance) C4'-P energy: -159.874 bonds (distance) P-C4' energy: -162.126 flat angles C4'-P-C4' energy: -181.330 flat angles P-C4'-P energy: -124.964 tors. eta vs tors. theta energy: -253.079 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: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2759.074287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.074287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.074287 (E_RNA) where: Base-Base interactions energy: -1928.525 where: short stacking energy: -876.674 Base-Backbone interact. energy: -1.814 local terms energy: -828.735024 where: bonds (distance) C4'-P energy: -130.664 bonds (distance) P-C4' energy: -158.806 flat angles C4'-P-C4' energy: -176.046 flat angles P-C4'-P energy: -113.567 tors. eta vs tors. theta energy: -249.652 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: 5, replica: 8 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2707.301564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.301564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.301564 (E_RNA) where: Base-Base interactions energy: -1866.531 where: short stacking energy: -807.068 Base-Backbone interact. energy: -1.757 local terms energy: -839.013206 where: bonds (distance) C4'-P energy: -138.442 bonds (distance) P-C4' energy: -161.157 flat angles C4'-P-C4' energy: -194.107 flat angles P-C4'-P energy: -107.345 tors. eta vs tors. theta energy: -237.963 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: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2488.972936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.972936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.972936 (E_RNA) where: Base-Base interactions energy: -1731.131 where: short stacking energy: -732.347 Base-Backbone interact. energy: -2.322 local terms energy: -755.520864 where: bonds (distance) C4'-P energy: -153.408 bonds (distance) P-C4' energy: -131.876 flat angles C4'-P-C4' energy: -165.362 flat angles P-C4'-P energy: -111.116 tors. eta vs tors. theta energy: -193.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2492.149439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.149439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.149439 (E_RNA) where: Base-Base interactions energy: -1771.492 where: short stacking energy: -745.831 Base-Backbone interact. energy: -2.328 local terms energy: -718.329700 where: bonds (distance) C4'-P energy: -140.629 bonds (distance) P-C4' energy: -121.532 flat angles C4'-P-C4' energy: -148.040 flat angles P-C4'-P energy: -100.054 tors. eta vs tors. theta energy: -208.075 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: 362 Temperature: 1.250000 Total energy: -2031.307177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.307177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.307177 (E_RNA) where: Base-Base interactions energy: -1362.410 where: short stacking energy: -638.595 Base-Backbone interact. energy: -1.662 local terms energy: -667.234733 where: bonds (distance) C4'-P energy: -134.783 bonds (distance) P-C4' energy: -112.572 flat angles C4'-P-C4' energy: -145.895 flat angles P-C4'-P energy: -110.536 tors. eta vs tors. theta energy: -163.449 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: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1505.170246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.170246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.170246 (E_RNA) where: Base-Base interactions energy: -984.396 where: short stacking energy: -462.102 Base-Backbone interact. energy: 0.777 local terms energy: -521.550832 where: bonds (distance) C4'-P energy: -109.105 bonds (distance) P-C4' energy: -121.027 flat angles C4'-P-C4' energy: -143.009 flat angles P-C4'-P energy: -72.803 tors. eta vs tors. theta energy: -75.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -937.834792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.834792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.834792 (E_RNA) where: Base-Base interactions energy: -486.592 where: short stacking energy: -278.243 Base-Backbone interact. energy: 3.865 local terms energy: -455.107584 where: bonds (distance) C4'-P energy: -124.029 bonds (distance) P-C4' energy: -134.413 flat angles C4'-P-C4' energy: -128.350 flat angles P-C4'-P energy: -69.427 tors. eta vs tors. theta energy: 1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3088.874649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.874649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.874649 (E_RNA) where: Base-Base interactions energy: -2152.295 where: short stacking energy: -945.346 Base-Backbone interact. energy: -5.326 local terms energy: -931.253164 where: bonds (distance) C4'-P energy: -164.544 bonds (distance) P-C4' energy: -162.804 flat angles C4'-P-C4' energy: -201.698 flat angles P-C4'-P energy: -131.259 tors. eta vs tors. theta energy: -270.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -3027.869341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.869341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.869341 (E_RNA) where: Base-Base interactions energy: -2091.614 where: short stacking energy: -895.756 Base-Backbone interact. energy: -3.851 local terms energy: -932.404853 where: bonds (distance) C4'-P energy: -177.137 bonds (distance) P-C4' energy: -167.818 flat angles C4'-P-C4' energy: -184.926 flat angles P-C4'-P energy: -127.470 tors. eta vs tors. theta energy: -275.053 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: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2923.190183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.190183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.190183 (E_RNA) where: Base-Base interactions energy: -2047.200 where: short stacking energy: -863.123 Base-Backbone interact. energy: -1.551 local terms energy: -874.438943 where: bonds (distance) C4'-P energy: -156.932 bonds (distance) P-C4' energy: -163.906 flat angles C4'-P-C4' energy: -183.967 flat angles P-C4'-P energy: -116.010 tors. eta vs tors. theta energy: -253.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2755.384623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.384623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.384623 (E_RNA) where: Base-Base interactions energy: -1900.615 where: short stacking energy: -839.468 Base-Backbone interact. energy: 0.502 local terms energy: -855.271122 where: bonds (distance) C4'-P energy: -148.019 bonds (distance) P-C4' energy: -145.427 flat angles C4'-P-C4' energy: -190.721 flat angles P-C4'-P energy: -124.844 tors. eta vs tors. theta energy: -246.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2700.407501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.407501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.407501 (E_RNA) where: Base-Base interactions energy: -1870.743 where: short stacking energy: -822.584 Base-Backbone interact. energy: -2.239 local terms energy: -827.425477 where: bonds (distance) C4'-P energy: -133.519 bonds (distance) P-C4' energy: -156.438 flat angles C4'-P-C4' energy: -190.421 flat angles P-C4'-P energy: -112.754 tors. eta vs tors. theta energy: -234.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2551.019847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.019847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.019847 (E_RNA) where: Base-Base interactions energy: -1800.471 where: short stacking energy: -779.782 Base-Backbone interact. energy: 4.112 local terms energy: -754.660878 where: bonds (distance) C4'-P energy: -137.287 bonds (distance) P-C4' energy: -140.198 flat angles C4'-P-C4' energy: -164.702 flat angles P-C4'-P energy: -90.551 tors. eta vs tors. theta energy: -221.922 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: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2422.631810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.631810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.631810 (E_RNA) where: Base-Base interactions energy: -1699.048 where: short stacking energy: -753.851 Base-Backbone interact. energy: 0.175 local terms energy: -723.759006 where: bonds (distance) C4'-P energy: -133.417 bonds (distance) P-C4' energy: -135.327 flat angles C4'-P-C4' energy: -153.897 flat angles P-C4'-P energy: -92.585 tors. eta vs tors. theta energy: -208.533 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: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -2029.796708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.796708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.796708 (E_RNA) where: Base-Base interactions energy: -1390.273 where: short stacking energy: -633.863 Base-Backbone interact. energy: 2.809 local terms energy: -642.332213 where: bonds (distance) C4'-P energy: -116.608 bonds (distance) P-C4' energy: -112.147 flat angles C4'-P-C4' energy: -141.166 flat angles P-C4'-P energy: -111.174 tors. eta vs tors. theta energy: -161.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1356.977415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.977415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.977415 (E_RNA) where: Base-Base interactions energy: -805.282 where: short stacking energy: -363.875 Base-Backbone interact. energy: -2.980 local terms energy: -548.715698 where: bonds (distance) C4'-P energy: -147.133 bonds (distance) P-C4' energy: -136.247 flat angles C4'-P-C4' energy: -114.235 flat angles P-C4'-P energy: -90.856 tors. eta vs tors. theta energy: -60.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -915.966275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.966275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.966275 (E_RNA) where: Base-Base interactions energy: -477.402 where: short stacking energy: -271.142 Base-Backbone interact. energy: -0.188 local terms energy: -438.376464 where: bonds (distance) C4'-P energy: -113.739 bonds (distance) P-C4' energy: -136.792 flat angles C4'-P-C4' energy: -123.430 flat angles P-C4'-P energy: -77.284 tors. eta vs tors. theta energy: 12.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3107.655588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.655588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.655588 (E_RNA) where: Base-Base interactions energy: -2175.464 where: short stacking energy: -945.119 Base-Backbone interact. energy: -9.053 local terms energy: -923.138371 where: bonds (distance) C4'-P energy: -158.229 bonds (distance) P-C4' energy: -161.644 flat angles C4'-P-C4' energy: -189.319 flat angles P-C4'-P energy: -136.918 tors. eta vs tors. theta energy: -277.029 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: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2978.764979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.764979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.764979 (E_RNA) where: Base-Base interactions energy: -2065.157 where: short stacking energy: -913.941 Base-Backbone interact. energy: -4.398 local terms energy: -909.210332 where: bonds (distance) C4'-P energy: -157.162 bonds (distance) P-C4' energy: -160.876 flat angles C4'-P-C4' energy: -182.596 flat angles P-C4'-P energy: -138.465 tors. eta vs tors. theta energy: -270.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2900.226703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.226703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.226703 (E_RNA) where: Base-Base interactions energy: -2014.402 where: short stacking energy: -871.791 Base-Backbone interact. energy: -1.045 local terms energy: -884.779260 where: bonds (distance) C4'-P energy: -156.974 bonds (distance) P-C4' energy: -166.505 flat angles C4'-P-C4' energy: -179.697 flat angles P-C4'-P energy: -121.316 tors. eta vs tors. theta energy: -260.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2729.885469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.885469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.885469 (E_RNA) where: Base-Base interactions energy: -1871.606 where: short stacking energy: -828.403 Base-Backbone interact. energy: -1.636 local terms energy: -856.642992 where: bonds (distance) C4'-P energy: -154.853 bonds (distance) P-C4' energy: -160.928 flat angles C4'-P-C4' energy: -189.858 flat angles P-C4'-P energy: -123.163 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: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2683.169772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.169772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.169772 (E_RNA) where: Base-Base interactions energy: -1857.738 where: short stacking energy: -830.712 Base-Backbone interact. energy: -2.250 local terms energy: -823.181827 where: bonds (distance) C4'-P energy: -145.024 bonds (distance) P-C4' energy: -145.244 flat angles C4'-P-C4' energy: -169.411 flat angles P-C4'-P energy: -120.632 tors. eta vs tors. theta energy: -242.871 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: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2556.529504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.529504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.529504 (E_RNA) where: Base-Base interactions energy: -1809.038 where: short stacking energy: -807.958 Base-Backbone interact. energy: 1.800 local terms energy: -749.291676 where: bonds (distance) C4'-P energy: -135.288 bonds (distance) P-C4' energy: -137.216 flat angles C4'-P-C4' energy: -151.840 flat angles P-C4'-P energy: -102.494 tors. eta vs tors. theta energy: -222.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2412.774458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.774458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.774458 (E_RNA) where: Base-Base interactions energy: -1684.616 where: short stacking energy: -703.661 Base-Backbone interact. energy: 0.092 local terms energy: -728.249885 where: bonds (distance) C4'-P energy: -122.782 bonds (distance) P-C4' energy: -149.872 flat angles C4'-P-C4' energy: -164.542 flat angles P-C4'-P energy: -106.443 tors. eta vs tors. theta energy: -184.611 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: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -2041.811165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.811165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.811165 (E_RNA) where: Base-Base interactions energy: -1336.891 where: short stacking energy: -619.891 Base-Backbone interact. energy: -1.558 local terms energy: -703.361969 where: bonds (distance) C4'-P energy: -139.336 bonds (distance) P-C4' energy: -147.842 flat angles C4'-P-C4' energy: -157.033 flat angles P-C4'-P energy: -100.855 tors. eta vs tors. theta energy: -158.296 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: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1385.440662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.440662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.440662 (E_RNA) where: Base-Base interactions energy: -868.984 where: short stacking energy: -402.674 Base-Backbone interact. energy: 10.128 local terms energy: -526.584416 where: bonds (distance) C4'-P energy: -127.079 bonds (distance) P-C4' energy: -136.267 flat angles C4'-P-C4' energy: -119.770 flat angles P-C4'-P energy: -84.907 tors. eta vs tors. theta energy: -58.561 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: 10, replica: 9 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -936.441069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.441069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.441069 (E_RNA) where: Base-Base interactions energy: -485.657 where: short stacking energy: -269.369 Base-Backbone interact. energy: -3.050 local terms energy: -447.734449 where: bonds (distance) C4'-P energy: -116.537 bonds (distance) P-C4' energy: -162.089 flat angles C4'-P-C4' energy: -124.103 flat angles P-C4'-P energy: -47.719 tors. eta vs tors. theta energy: 2.714 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: 1, replica: 3 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3133.775226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.775226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.775226 (E_RNA) where: Base-Base interactions energy: -2185.086 where: short stacking energy: -946.432 Base-Backbone interact. energy: -4.170 local terms energy: -944.519108 where: bonds (distance) C4'-P energy: -168.683 bonds (distance) P-C4' energy: -178.483 flat angles C4'-P-C4' energy: -188.663 flat angles P-C4'-P energy: -142.584 tors. eta vs tors. theta energy: -266.106 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: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2977.902929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.902929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.902929 (E_RNA) where: Base-Base interactions energy: -2080.337 where: short stacking energy: -925.208 Base-Backbone interact. energy: -2.051 local terms energy: -895.515033 where: bonds (distance) C4'-P energy: -159.031 bonds (distance) P-C4' energy: -161.846 flat angles C4'-P-C4' energy: -189.075 flat angles P-C4'-P energy: -118.411 tors. eta vs tors. theta energy: -267.152 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: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2903.921502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.921502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.921502 (E_RNA) where: Base-Base interactions energy: -2054.118 where: short stacking energy: -889.437 Base-Backbone interact. energy: -0.788 local terms energy: -849.014586 where: bonds (distance) C4'-P energy: -152.071 bonds (distance) P-C4' energy: -141.767 flat angles C4'-P-C4' energy: -183.617 flat angles P-C4'-P energy: -118.825 tors. eta vs tors. theta energy: -252.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2737.738534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.738534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.738534 (E_RNA) where: Base-Base interactions energy: -1897.191 where: short stacking energy: -841.673 Base-Backbone interact. energy: 0.162 local terms energy: -840.709589 where: bonds (distance) C4'-P energy: -140.739 bonds (distance) P-C4' energy: -158.424 flat angles C4'-P-C4' energy: -181.816 flat angles P-C4'-P energy: -119.346 tors. eta vs tors. theta energy: -240.385 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: 8 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2790.799992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.799992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.799992 (E_RNA) where: Base-Base interactions energy: -1952.630 where: short stacking energy: -864.266 Base-Backbone interact. energy: -2.662 local terms energy: -835.508142 where: bonds (distance) C4'-P energy: -139.379 bonds (distance) P-C4' energy: -172.643 flat angles C4'-P-C4' energy: -182.104 flat angles P-C4'-P energy: -93.728 tors. eta vs tors. theta energy: -247.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2590.554810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.554810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.554810 (E_RNA) where: Base-Base interactions energy: -1817.256 where: short stacking energy: -768.780 Base-Backbone interact. energy: -2.297 local terms energy: -771.001727 where: bonds (distance) C4'-P energy: -136.133 bonds (distance) P-C4' energy: -153.851 flat angles C4'-P-C4' energy: -155.235 flat angles P-C4'-P energy: -105.909 tors. eta vs tors. theta energy: -219.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2423.832865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.832865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.832865 (E_RNA) where: Base-Base interactions energy: -1690.890 where: short stacking energy: -729.868 Base-Backbone interact. energy: -0.973 local terms energy: -731.970346 where: bonds (distance) C4'-P energy: -154.707 bonds (distance) P-C4' energy: -128.658 flat angles C4'-P-C4' energy: -158.794 flat angles P-C4'-P energy: -91.915 tors. eta vs tors. theta energy: -197.896 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: 365 Temperature: 1.250000 Total energy: -1993.233496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.233496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.233496 (E_RNA) where: Base-Base interactions energy: -1300.179 where: short stacking energy: -584.111 Base-Backbone interact. energy: 2.151 local terms energy: -695.205624 where: bonds (distance) C4'-P energy: -146.930 bonds (distance) P-C4' energy: -145.022 flat angles C4'-P-C4' energy: -163.563 flat angles P-C4'-P energy: -88.310 tors. eta vs tors. theta energy: -151.380 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: 10 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1293.796050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.796050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.796050 (E_RNA) where: Base-Base interactions energy: -794.315 where: short stacking energy: -360.185 Base-Backbone interact. energy: 0.567 local terms energy: -500.047757 where: bonds (distance) C4'-P energy: -128.054 bonds (distance) P-C4' energy: -141.531 flat angles C4'-P-C4' energy: -136.836 flat angles P-C4'-P energy: -79.084 tors. eta vs tors. theta energy: -14.543 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: 9 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1017.742228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.742228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.742228 (E_RNA) where: Base-Base interactions energy: -563.588 where: short stacking energy: -289.207 Base-Backbone interact. energy: 0.145 local terms energy: -454.299554 where: bonds (distance) C4'-P energy: -135.472 bonds (distance) P-C4' energy: -130.863 flat angles C4'-P-C4' energy: -105.560 flat angles P-C4'-P energy: -74.353 tors. eta vs tors. theta energy: -8.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3125.252436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.252436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.252436 (E_RNA) where: Base-Base interactions energy: -2197.485 where: short stacking energy: -971.657 Base-Backbone interact. energy: -4.543 local terms energy: -923.223507 where: bonds (distance) C4'-P energy: -163.548 bonds (distance) P-C4' energy: -156.701 flat angles C4'-P-C4' energy: -192.949 flat angles P-C4'-P energy: -131.558 tors. eta vs tors. theta energy: -278.468 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: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2976.416071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.416071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.416071 (E_RNA) where: Base-Base interactions energy: -2079.927 where: short stacking energy: -915.365 Base-Backbone interact. energy: -5.760 local terms energy: -890.729005 where: bonds (distance) C4'-P energy: -162.087 bonds (distance) P-C4' energy: -164.594 flat angles C4'-P-C4' energy: -194.610 flat angles P-C4'-P energy: -111.010 tors. eta vs tors. theta energy: -258.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2913.253615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.253615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.253615 (E_RNA) where: Base-Base interactions energy: -2024.837 where: short stacking energy: -881.676 Base-Backbone interact. energy: 1.679 local terms energy: -890.096375 where: bonds (distance) C4'-P energy: -160.562 bonds (distance) P-C4' energy: -150.592 flat angles C4'-P-C4' energy: -207.129 flat angles P-C4'-P energy: -115.149 tors. eta vs tors. theta energy: -256.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2711.677812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.677812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.677812 (E_RNA) where: Base-Base interactions energy: -1874.869 where: short stacking energy: -845.836 Base-Backbone interact. energy: -1.613 local terms energy: -835.195007 where: bonds (distance) C4'-P energy: -134.951 bonds (distance) P-C4' energy: -157.449 flat angles C4'-P-C4' energy: -184.589 flat angles P-C4'-P energy: -114.635 tors. eta vs tors. theta energy: -243.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2758.920396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.920396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.920396 (E_RNA) where: Base-Base interactions energy: -1951.621 where: short stacking energy: -870.652 Base-Backbone interact. energy: 0.401 local terms energy: -807.699832 where: bonds (distance) C4'-P energy: -148.424 bonds (distance) P-C4' energy: -151.000 flat angles C4'-P-C4' energy: -167.469 flat angles P-C4'-P energy: -96.326 tors. eta vs tors. theta energy: -244.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2583.394370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.394370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.394370 (E_RNA) where: Base-Base interactions energy: -1851.324 where: short stacking energy: -771.870 Base-Backbone interact. energy: 8.946 local terms energy: -741.016692 where: bonds (distance) C4'-P energy: -136.616 bonds (distance) P-C4' energy: -132.044 flat angles C4'-P-C4' energy: -163.711 flat angles P-C4'-P energy: -98.832 tors. eta vs tors. theta energy: -209.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2401.817719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.817719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.817719 (E_RNA) where: Base-Base interactions energy: -1687.436 where: short stacking energy: -718.958 Base-Backbone interact. energy: 2.149 local terms energy: -716.530560 where: bonds (distance) C4'-P energy: -126.021 bonds (distance) P-C4' energy: -144.898 flat angles C4'-P-C4' energy: -164.676 flat angles P-C4'-P energy: -89.205 tors. eta vs tors. theta energy: -191.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1947.026201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.026201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.026201 (E_RNA) where: Base-Base interactions energy: -1285.473 where: short stacking energy: -582.746 Base-Backbone interact. energy: 0.764 local terms energy: -662.316930 where: bonds (distance) C4'-P energy: -132.853 bonds (distance) P-C4' energy: -137.410 flat angles C4'-P-C4' energy: -150.529 flat angles P-C4'-P energy: -99.869 tors. eta vs tors. theta energy: -141.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1299.512918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.512918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.512918 (E_RNA) where: Base-Base interactions energy: -763.078 where: short stacking energy: -364.727 Base-Backbone interact. energy: 0.811 local terms energy: -537.245115 where: bonds (distance) C4'-P energy: -120.863 bonds (distance) P-C4' energy: -138.522 flat angles C4'-P-C4' energy: -155.402 flat angles P-C4'-P energy: -74.286 tors. eta vs tors. theta energy: -48.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1050.959523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.959523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.959523 (E_RNA) where: Base-Base interactions energy: -593.871 where: short stacking energy: -312.606 Base-Backbone interact. energy: 5.418 local terms energy: -462.506806 where: bonds (distance) C4'-P energy: -116.039 bonds (distance) P-C4' energy: -118.910 flat angles C4'-P-C4' energy: -119.013 flat angles P-C4'-P energy: -64.302 tors. eta vs tors. theta energy: -44.243 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: 3 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3155.244417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.244417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.244417 (E_RNA) where: Base-Base interactions energy: -2208.051 where: short stacking energy: -941.852 Base-Backbone interact. energy: -4.587 local terms energy: -942.606027 where: bonds (distance) C4'-P energy: -166.298 bonds (distance) P-C4' energy: -179.143 flat angles C4'-P-C4' energy: -200.809 flat angles P-C4'-P energy: -129.617 tors. eta vs tors. theta energy: -266.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2986.932806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.932806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.932806 (E_RNA) where: Base-Base interactions energy: -2080.825 where: short stacking energy: -941.361 Base-Backbone interact. energy: -3.060 local terms energy: -903.047477 where: bonds (distance) C4'-P energy: -150.953 bonds (distance) P-C4' energy: -175.527 flat angles C4'-P-C4' energy: -191.211 flat angles P-C4'-P energy: -114.423 tors. eta vs tors. theta energy: -270.933 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: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2881.936123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.936123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.936123 (E_RNA) where: Base-Base interactions energy: -2007.436 where: short stacking energy: -863.101 Base-Backbone interact. energy: -3.379 local terms energy: -871.121055 where: bonds (distance) C4'-P energy: -160.612 bonds (distance) P-C4' energy: -146.094 flat angles C4'-P-C4' energy: -182.281 flat angles P-C4'-P energy: -125.839 tors. eta vs tors. theta energy: -256.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2782.701357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.701357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.701357 (E_RNA) where: Base-Base interactions energy: -1924.308 where: short stacking energy: -851.942 Base-Backbone interact. energy: -3.089 local terms energy: -855.304819 where: bonds (distance) C4'-P energy: -159.053 bonds (distance) P-C4' energy: -154.709 flat angles C4'-P-C4' energy: -180.017 flat angles P-C4'-P energy: -116.211 tors. eta vs tors. theta energy: -245.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2619.048548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.048548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.048548 (E_RNA) where: Base-Base interactions energy: -1814.448 where: short stacking energy: -784.308 Base-Backbone interact. energy: -4.973 local terms energy: -799.627919 where: bonds (distance) C4'-P energy: -151.304 bonds (distance) P-C4' energy: -135.790 flat angles C4'-P-C4' energy: -164.296 flat angles P-C4'-P energy: -106.605 tors. eta vs tors. theta energy: -241.633 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: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2671.634839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.634839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.634839 (E_RNA) where: Base-Base interactions energy: -1882.250 where: short stacking energy: -799.235 Base-Backbone interact. energy: 2.583 local terms energy: -791.968263 where: bonds (distance) C4'-P energy: -130.292 bonds (distance) P-C4' energy: -158.840 flat angles C4'-P-C4' energy: -169.991 flat angles P-C4'-P energy: -92.689 tors. eta vs tors. theta energy: -240.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2399.291649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.291649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.291649 (E_RNA) where: Base-Base interactions energy: -1669.831 where: short stacking energy: -712.278 Base-Backbone interact. energy: -2.715 local terms energy: -726.745450 where: bonds (distance) C4'-P energy: -140.565 bonds (distance) P-C4' energy: -145.222 flat angles C4'-P-C4' energy: -162.546 flat angles P-C4'-P energy: -88.132 tors. eta vs tors. theta energy: -190.280 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: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -2066.787026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.787026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.787026 (E_RNA) where: Base-Base interactions energy: -1401.882 where: short stacking energy: -638.901 Base-Backbone interact. energy: -2.852 local terms energy: -662.052883 where: bonds (distance) C4'-P energy: -149.734 bonds (distance) P-C4' energy: -134.172 flat angles C4'-P-C4' energy: -145.077 flat angles P-C4'-P energy: -75.842 tors. eta vs tors. theta energy: -157.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1379.964569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.964569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.964569 (E_RNA) where: Base-Base interactions energy: -844.464 where: short stacking energy: -413.635 Base-Backbone interact. energy: -3.692 local terms energy: -531.808391 where: bonds (distance) C4'-P energy: -123.189 bonds (distance) P-C4' energy: -141.501 flat angles C4'-P-C4' energy: -126.905 flat angles P-C4'-P energy: -76.016 tors. eta vs tors. theta energy: -64.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -939.486732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.486732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.486732 (E_RNA) where: Base-Base interactions energy: -525.160 where: short stacking energy: -283.936 Base-Backbone interact. energy: -3.791 local terms energy: -410.535910 where: bonds (distance) C4'-P energy: -111.912 bonds (distance) P-C4' energy: -135.744 flat angles C4'-P-C4' energy: -109.845 flat angles P-C4'-P energy: -63.380 tors. eta vs tors. theta energy: 10.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3117.016480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.016480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.016480 (E_RNA) where: Base-Base interactions energy: -2185.854 where: short stacking energy: -924.648 Base-Backbone interact. energy: -2.145 local terms energy: -929.017654 where: bonds (distance) C4'-P energy: -170.202 bonds (distance) P-C4' energy: -174.696 flat angles C4'-P-C4' energy: -182.211 flat angles P-C4'-P energy: -128.200 tors. eta vs tors. theta energy: -273.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2986.670397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.670397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.670397 (E_RNA) where: Base-Base interactions energy: -2086.283 where: short stacking energy: -943.828 Base-Backbone interact. energy: -1.759 local terms energy: -898.628131 where: bonds (distance) C4'-P energy: -156.667 bonds (distance) P-C4' energy: -151.717 flat angles C4'-P-C4' energy: -197.030 flat angles P-C4'-P energy: -119.055 tors. eta vs tors. theta energy: -274.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2896.297175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.297175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.297175 (E_RNA) where: Base-Base interactions energy: -2028.107 where: short stacking energy: -903.015 Base-Backbone interact. energy: -3.496 local terms energy: -864.693920 where: bonds (distance) C4'-P energy: -152.481 bonds (distance) P-C4' energy: -147.728 flat angles C4'-P-C4' energy: -192.564 flat angles P-C4'-P energy: -113.802 tors. eta vs tors. theta energy: -258.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2783.231464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.231464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.231464 (E_RNA) where: Base-Base interactions energy: -1943.058 where: short stacking energy: -862.161 Base-Backbone interact. energy: -2.405 local terms energy: -837.768404 where: bonds (distance) C4'-P energy: -119.656 bonds (distance) P-C4' energy: -150.182 flat angles C4'-P-C4' energy: -185.176 flat angles P-C4'-P energy: -130.681 tors. eta vs tors. theta energy: -252.073 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: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2648.881274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.881274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.881274 (E_RNA) where: Base-Base interactions energy: -1850.438 where: short stacking energy: -795.489 Base-Backbone interact. energy: -5.837 local terms energy: -792.606179 where: bonds (distance) C4'-P energy: -147.897 bonds (distance) P-C4' energy: -142.363 flat angles C4'-P-C4' energy: -169.325 flat angles P-C4'-P energy: -121.599 tors. eta vs tors. theta energy: -211.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2598.560974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.560974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.560974 (E_RNA) where: Base-Base interactions energy: -1842.992 where: short stacking energy: -775.470 Base-Backbone interact. energy: 4.213 local terms energy: -759.782287 where: bonds (distance) C4'-P energy: -144.168 bonds (distance) P-C4' energy: -149.017 flat angles C4'-P-C4' energy: -154.966 flat angles P-C4'-P energy: -92.773 tors. eta vs tors. theta energy: -218.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2425.982699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.982699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.982699 (E_RNA) where: Base-Base interactions energy: -1713.531 where: short stacking energy: -722.011 Base-Backbone interact. energy: 1.873 local terms energy: -714.324223 where: bonds (distance) C4'-P energy: -123.788 bonds (distance) P-C4' energy: -132.185 flat angles C4'-P-C4' energy: -159.417 flat angles P-C4'-P energy: -104.382 tors. eta vs tors. theta energy: -194.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -2055.882946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.882946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.882946 (E_RNA) where: Base-Base interactions energy: -1416.850 where: short stacking energy: -613.531 Base-Backbone interact. energy: -2.136 local terms energy: -636.897566 where: bonds (distance) C4'-P energy: -116.410 bonds (distance) P-C4' energy: -131.350 flat angles C4'-P-C4' energy: -150.616 flat angles P-C4'-P energy: -88.888 tors. eta vs tors. theta energy: -149.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1383.010540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.010540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.010540 (E_RNA) where: Base-Base interactions energy: -827.364 where: short stacking energy: -406.103 Base-Backbone interact. energy: -8.207 local terms energy: -547.439141 where: bonds (distance) C4'-P energy: -124.210 bonds (distance) P-C4' energy: -160.101 flat angles C4'-P-C4' energy: -121.350 flat angles P-C4'-P energy: -73.386 tors. eta vs tors. theta energy: -68.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -917.270748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.270748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.270748 (E_RNA) where: Base-Base interactions energy: -513.354 where: short stacking energy: -302.936 Base-Backbone interact. energy: -1.186 local terms energy: -402.730767 where: bonds (distance) C4'-P energy: -118.075 bonds (distance) P-C4' energy: -126.405 flat angles C4'-P-C4' energy: -122.642 flat angles P-C4'-P energy: -39.136 tors. eta vs tors. theta energy: 3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3114.561228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.561228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.561228 (E_RNA) where: Base-Base interactions energy: -2174.768 where: short stacking energy: -937.704 Base-Backbone interact. energy: -1.722 local terms energy: -938.071093 where: bonds (distance) C4'-P energy: -163.445 bonds (distance) P-C4' energy: -173.878 flat angles C4'-P-C4' energy: -201.976 flat angles P-C4'-P energy: -127.785 tors. eta vs tors. theta energy: -270.988 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: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2976.831844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.831844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.831844 (E_RNA) where: Base-Base interactions energy: -2073.811 where: short stacking energy: -939.365 Base-Backbone interact. energy: -0.512 local terms energy: -902.508683 where: bonds (distance) C4'-P energy: -152.074 bonds (distance) P-C4' energy: -174.829 flat angles C4'-P-C4' energy: -188.636 flat angles P-C4'-P energy: -129.647 tors. eta vs tors. theta energy: -257.322 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: 4 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2883.323245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.323245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.323245 (E_RNA) where: Base-Base interactions energy: -2023.378 where: short stacking energy: -858.419 Base-Backbone interact. energy: -4.113 local terms energy: -855.832667 where: bonds (distance) C4'-P energy: -153.668 bonds (distance) P-C4' energy: -147.015 flat angles C4'-P-C4' energy: -178.161 flat angles P-C4'-P energy: -127.055 tors. eta vs tors. theta energy: -249.934 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: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2728.791297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.791297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.791297 (E_RNA) where: Base-Base interactions energy: -1876.742 where: short stacking energy: -859.793 Base-Backbone interact. energy: -4.502 local terms energy: -847.547331 where: bonds (distance) C4'-P energy: -140.290 bonds (distance) P-C4' energy: -159.227 flat angles C4'-P-C4' energy: -188.206 flat angles P-C4'-P energy: -108.799 tors. eta vs tors. theta energy: -251.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2719.936304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.936304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.936304 (E_RNA) where: Base-Base interactions energy: -1887.079 where: short stacking energy: -816.040 Base-Backbone interact. energy: -0.099 local terms energy: -832.757646 where: bonds (distance) C4'-P energy: -142.857 bonds (distance) P-C4' energy: -154.147 flat angles C4'-P-C4' energy: -175.245 flat angles P-C4'-P energy: -121.873 tors. eta vs tors. theta energy: -238.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2624.131189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.131189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.131189 (E_RNA) where: Base-Base interactions energy: -1845.385 where: short stacking energy: -806.160 Base-Backbone interact. energy: -3.304 local terms energy: -775.442236 where: bonds (distance) C4'-P energy: -136.719 bonds (distance) P-C4' energy: -147.889 flat angles C4'-P-C4' energy: -165.261 flat angles P-C4'-P energy: -107.086 tors. eta vs tors. theta energy: -218.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2452.579989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.579989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.579989 (E_RNA) where: Base-Base interactions energy: -1754.949 where: short stacking energy: -725.187 Base-Backbone interact. energy: -6.560 local terms energy: -691.070688 where: bonds (distance) C4'-P energy: -139.826 bonds (distance) P-C4' energy: -130.349 flat angles C4'-P-C4' energy: -159.722 flat angles P-C4'-P energy: -83.860 tors. eta vs tors. theta energy: -177.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -2075.240872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.240872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.240872 (E_RNA) where: Base-Base interactions energy: -1412.129 where: short stacking energy: -605.181 Base-Backbone interact. energy: -2.227 local terms energy: -660.884947 where: bonds (distance) C4'-P energy: -110.498 bonds (distance) P-C4' energy: -123.445 flat angles C4'-P-C4' energy: -165.323 flat angles P-C4'-P energy: -93.525 tors. eta vs tors. theta energy: -168.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1422.758683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.758683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.758683 (E_RNA) where: Base-Base interactions energy: -896.444 where: short stacking energy: -431.026 Base-Backbone interact. energy: -3.111 local terms energy: -523.203440 where: bonds (distance) C4'-P energy: -132.921 bonds (distance) P-C4' energy: -123.294 flat angles C4'-P-C4' energy: -123.807 flat angles P-C4'-P energy: -73.750 tors. eta vs tors. theta energy: -69.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -997.520768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.520768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.520768 (E_RNA) where: Base-Base interactions energy: -542.219 where: short stacking energy: -293.681 Base-Backbone interact. energy: -1.893 local terms energy: -453.408675 where: bonds (distance) C4'-P energy: -129.036 bonds (distance) P-C4' energy: -140.602 flat angles C4'-P-C4' energy: -118.906 flat angles P-C4'-P energy: -75.163 tors. eta vs tors. theta energy: 10.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3136.279360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.279360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.279360 (E_RNA) where: Base-Base interactions energy: -2180.756 where: short stacking energy: -936.891 Base-Backbone interact. energy: -3.901 local terms energy: -951.622221 where: bonds (distance) C4'-P energy: -190.325 bonds (distance) P-C4' energy: -171.828 flat angles C4'-P-C4' energy: -182.503 flat angles P-C4'-P energy: -132.411 tors. eta vs tors. theta energy: -274.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2995.103103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.103103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.103103 (E_RNA) where: Base-Base interactions energy: -2077.981 where: short stacking energy: -925.075 Base-Backbone interact. energy: -3.348 local terms energy: -913.774385 where: bonds (distance) C4'-P energy: -154.907 bonds (distance) P-C4' energy: -149.157 flat angles C4'-P-C4' energy: -194.575 flat angles P-C4'-P energy: -137.589 tors. eta vs tors. theta energy: -277.545 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: 4 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2893.140291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.140291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.140291 (E_RNA) where: Base-Base interactions energy: -2019.527 where: short stacking energy: -870.025 Base-Backbone interact. energy: -2.198 local terms energy: -871.415226 where: bonds (distance) C4'-P energy: -161.620 bonds (distance) P-C4' energy: -162.987 flat angles C4'-P-C4' energy: -181.094 flat angles P-C4'-P energy: -107.104 tors. eta vs tors. theta energy: -258.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2738.703901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.703901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.703901 (E_RNA) where: Base-Base interactions energy: -1894.345 where: short stacking energy: -834.546 Base-Backbone interact. energy: -0.632 local terms energy: -843.726897 where: bonds (distance) C4'-P energy: -143.766 bonds (distance) P-C4' energy: -163.404 flat angles C4'-P-C4' energy: -175.114 flat angles P-C4'-P energy: -123.367 tors. eta vs tors. theta energy: -238.077 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: 370 Temperature: 1.100000 Total energy: -2711.080510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.080510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.080510 (E_RNA) where: Base-Base interactions energy: -1886.679 where: short stacking energy: -835.199 Base-Backbone interact. energy: -3.021 local terms energy: -821.380826 where: bonds (distance) C4'-P energy: -135.255 bonds (distance) P-C4' energy: -152.443 flat angles C4'-P-C4' energy: -181.231 flat angles P-C4'-P energy: -121.160 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: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2642.852887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.852887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.852887 (E_RNA) where: Base-Base interactions energy: -1864.125 where: short stacking energy: -812.773 Base-Backbone interact. energy: -0.955 local terms energy: -777.772383 where: bonds (distance) C4'-P energy: -130.012 bonds (distance) P-C4' energy: -131.633 flat angles C4'-P-C4' energy: -162.288 flat angles P-C4'-P energy: -121.555 tors. eta vs tors. theta energy: -232.285 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: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2469.257365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.257365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.257365 (E_RNA) where: Base-Base interactions energy: -1754.534 where: short stacking energy: -742.800 Base-Backbone interact. energy: 2.277 local terms energy: -717.000095 where: bonds (distance) C4'-P energy: -102.531 bonds (distance) P-C4' energy: -141.245 flat angles C4'-P-C4' energy: -161.369 flat angles P-C4'-P energy: -114.413 tors. eta vs tors. theta energy: -197.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -2032.889551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.889551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.889551 (E_RNA) where: Base-Base interactions energy: -1378.494 where: short stacking energy: -612.426 Base-Backbone interact. energy: 5.542 local terms energy: -659.937856 where: bonds (distance) C4'-P energy: -135.273 bonds (distance) P-C4' energy: -128.723 flat angles C4'-P-C4' energy: -139.571 flat angles P-C4'-P energy: -101.433 tors. eta vs tors. theta energy: -154.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1387.138457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.138457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.138457 (E_RNA) where: Base-Base interactions energy: -861.125 where: short stacking energy: -422.118 Base-Backbone interact. energy: -1.168 local terms energy: -524.846156 where: bonds (distance) C4'-P energy: -106.285 bonds (distance) P-C4' energy: -132.958 flat angles C4'-P-C4' energy: -121.252 flat angles P-C4'-P energy: -95.744 tors. eta vs tors. theta energy: -68.606 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: 10, replica: 9 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1096.022578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.022578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.022578 (E_RNA) where: Base-Base interactions energy: -606.228 where: short stacking energy: -310.261 Base-Backbone interact. energy: 3.981 local terms energy: -493.776099 where: bonds (distance) C4'-P energy: -129.990 bonds (distance) P-C4' energy: -153.373 flat angles C4'-P-C4' energy: -118.699 flat angles P-C4'-P energy: -71.935 tors. eta vs tors. theta energy: -19.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3120.598047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.598047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.598047 (E_RNA) where: Base-Base interactions energy: -2191.266 where: short stacking energy: -942.759 Base-Backbone interact. energy: -3.289 local terms energy: -926.043371 where: bonds (distance) C4'-P energy: -175.823 bonds (distance) P-C4' energy: -174.959 flat angles C4'-P-C4' energy: -171.855 flat angles P-C4'-P energy: -128.156 tors. eta vs tors. theta energy: -275.250 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: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2985.692815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.692815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.692815 (E_RNA) where: Base-Base interactions energy: -2070.447 where: short stacking energy: -928.671 Base-Backbone interact. energy: -4.483 local terms energy: -910.762843 where: bonds (distance) C4'-P energy: -143.534 bonds (distance) P-C4' energy: -159.072 flat angles C4'-P-C4' energy: -207.231 flat angles P-C4'-P energy: -130.699 tors. eta vs tors. theta energy: -270.227 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: 3, replica: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2886.862641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.862641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.862641 (E_RNA) where: Base-Base interactions energy: -2014.622 where: short stacking energy: -871.317 Base-Backbone interact. energy: -4.086 local terms energy: -868.154401 where: bonds (distance) C4'-P energy: -151.562 bonds (distance) P-C4' energy: -155.911 flat angles C4'-P-C4' energy: -173.869 flat angles P-C4'-P energy: -123.318 tors. eta vs tors. theta energy: -263.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2757.207599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.207599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.207599 (E_RNA) where: Base-Base interactions energy: -1893.929 where: short stacking energy: -847.300 Base-Backbone interact. energy: -3.148 local terms energy: -860.130345 where: bonds (distance) C4'-P energy: -154.411 bonds (distance) P-C4' energy: -158.461 flat angles C4'-P-C4' energy: -176.724 flat angles P-C4'-P energy: -117.163 tors. eta vs tors. theta energy: -253.372 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: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2706.266387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.266387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.266387 (E_RNA) where: Base-Base interactions energy: -1892.363 where: short stacking energy: -809.169 Base-Backbone interact. energy: 2.970 local terms energy: -816.873371 where: bonds (distance) C4'-P energy: -146.702 bonds (distance) P-C4' energy: -132.332 flat angles C4'-P-C4' energy: -178.387 flat angles P-C4'-P energy: -125.526 tors. eta vs tors. theta energy: -233.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2652.258497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.258497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.258497 (E_RNA) where: Base-Base interactions energy: -1885.911 where: short stacking energy: -800.356 Base-Backbone interact. energy: 0.394 local terms energy: -766.741945 where: bonds (distance) C4'-P energy: -128.177 bonds (distance) P-C4' energy: -116.472 flat angles C4'-P-C4' energy: -175.950 flat angles P-C4'-P energy: -107.488 tors. eta vs tors. theta energy: -238.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2405.426294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.426294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.426294 (E_RNA) where: Base-Base interactions energy: -1717.408 where: short stacking energy: -716.129 Base-Backbone interact. energy: 1.169 local terms energy: -689.186850 where: bonds (distance) C4'-P energy: -124.025 bonds (distance) P-C4' energy: -118.323 flat angles C4'-P-C4' energy: -156.863 flat angles P-C4'-P energy: -95.004 tors. eta vs tors. theta energy: -194.972 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: 1 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -2056.473171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.473171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.473171 (E_RNA) where: Base-Base interactions energy: -1394.751 where: short stacking energy: -614.650 Base-Backbone interact. energy: -2.317 local terms energy: -659.404921 where: bonds (distance) C4'-P energy: -111.837 bonds (distance) P-C4' energy: -147.448 flat angles C4'-P-C4' energy: -160.901 flat angles P-C4'-P energy: -87.631 tors. eta vs tors. theta energy: -151.588 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: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1407.603769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.603769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.603769 (E_RNA) where: Base-Base interactions energy: -862.048 where: short stacking energy: -428.588 Base-Backbone interact. energy: 1.620 local terms energy: -547.175539 where: bonds (distance) C4'-P energy: -134.706 bonds (distance) P-C4' energy: -132.594 flat angles C4'-P-C4' energy: -141.657 flat angles P-C4'-P energy: -82.810 tors. eta vs tors. theta energy: -55.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1086.763442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.763442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.763442 (E_RNA) where: Base-Base interactions energy: -641.619 where: short stacking energy: -317.881 Base-Backbone interact. energy: 2.271 local terms energy: -447.415610 where: bonds (distance) C4'-P energy: -114.400 bonds (distance) P-C4' energy: -132.427 flat angles C4'-P-C4' energy: -97.613 flat angles P-C4'-P energy: -80.234 tors. eta vs tors. theta energy: -22.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3114.612966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.612966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.612966 (E_RNA) where: Base-Base interactions energy: -2170.481 where: short stacking energy: -914.016 Base-Backbone interact. energy: -4.864 local terms energy: -939.268313 where: bonds (distance) C4'-P energy: -154.475 bonds (distance) P-C4' energy: -168.665 flat angles C4'-P-C4' energy: -198.486 flat angles P-C4'-P energy: -140.452 tors. eta vs tors. theta energy: -277.189 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: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2994.822412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.822412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.822412 (E_RNA) where: Base-Base interactions energy: -2089.483 where: short stacking energy: -911.431 Base-Backbone interact. energy: -1.693 local terms energy: -903.645665 where: bonds (distance) C4'-P energy: -170.217 bonds (distance) P-C4' energy: -155.106 flat angles C4'-P-C4' energy: -186.711 flat angles P-C4'-P energy: -131.127 tors. eta vs tors. theta energy: -260.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2888.355180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.355180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.355180 (E_RNA) where: Base-Base interactions energy: -1990.657 where: short stacking energy: -850.501 Base-Backbone interact. energy: -3.528 local terms energy: -894.170084 where: bonds (distance) C4'-P energy: -158.182 bonds (distance) P-C4' energy: -170.220 flat angles C4'-P-C4' energy: -186.652 flat angles P-C4'-P energy: -120.523 tors. eta vs tors. theta energy: -258.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2814.063779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.063779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.063779 (E_RNA) where: Base-Base interactions energy: -1922.599 where: short stacking energy: -851.142 Base-Backbone interact. energy: -6.452 local terms energy: -885.012239 where: bonds (distance) C4'-P energy: -142.456 bonds (distance) P-C4' energy: -160.694 flat angles C4'-P-C4' energy: -178.905 flat angles P-C4'-P energy: -132.986 tors. eta vs tors. theta energy: -269.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2757.161686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.161686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.161686 (E_RNA) where: Base-Base interactions energy: -1960.388 where: short stacking energy: -861.681 Base-Backbone interact. energy: -2.190 local terms energy: -794.583888 where: bonds (distance) C4'-P energy: -138.214 bonds (distance) P-C4' energy: -136.513 flat angles C4'-P-C4' energy: -169.657 flat angles P-C4'-P energy: -109.973 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: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2669.998135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.998135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.998135 (E_RNA) where: Base-Base interactions energy: -1863.635 where: short stacking energy: -817.414 Base-Backbone interact. energy: -3.003 local terms energy: -803.360414 where: bonds (distance) C4'-P energy: -132.215 bonds (distance) P-C4' energy: -147.515 flat angles C4'-P-C4' energy: -171.911 flat angles P-C4'-P energy: -109.475 tors. eta vs tors. theta energy: -242.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2393.908541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.908541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.908541 (E_RNA) where: Base-Base interactions energy: -1659.033 where: short stacking energy: -691.074 Base-Backbone interact. energy: -5.338 local terms energy: -729.537471 where: bonds (distance) C4'-P energy: -149.278 bonds (distance) P-C4' energy: -146.981 flat angles C4'-P-C4' energy: -152.059 flat angles P-C4'-P energy: -90.188 tors. eta vs tors. theta energy: -191.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -2072.916674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.916674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.916674 (E_RNA) where: Base-Base interactions energy: -1372.304 where: short stacking energy: -599.161 Base-Backbone interact. energy: 2.723 local terms energy: -703.334964 where: bonds (distance) C4'-P energy: -131.807 bonds (distance) P-C4' energy: -139.036 flat angles C4'-P-C4' energy: -172.921 flat angles P-C4'-P energy: -101.836 tors. eta vs tors. theta energy: -157.735 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: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1393.481522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.481522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.481522 (E_RNA) where: Base-Base interactions energy: -827.350 where: short stacking energy: -414.628 Base-Backbone interact. energy: -2.570 local terms energy: -563.561163 where: bonds (distance) C4'-P energy: -96.063 bonds (distance) P-C4' energy: -139.629 flat angles C4'-P-C4' energy: -153.964 flat angles P-C4'-P energy: -81.578 tors. eta vs tors. theta energy: -92.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1032.516672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.516672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.516672 (E_RNA) where: Base-Base interactions energy: -578.708 where: short stacking energy: -301.434 Base-Backbone interact. energy: 1.439 local terms energy: -455.247456 where: bonds (distance) C4'-P energy: -118.941 bonds (distance) P-C4' energy: -124.359 flat angles C4'-P-C4' energy: -109.390 flat angles P-C4'-P energy: -81.168 tors. eta vs tors. theta energy: -21.390 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: 3 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3147.875750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.875750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.875750 (E_RNA) where: Base-Base interactions energy: -2221.157 where: short stacking energy: -953.274 Base-Backbone interact. energy: -2.872 local terms energy: -923.846791 where: bonds (distance) C4'-P energy: -171.713 bonds (distance) P-C4' energy: -153.635 flat angles C4'-P-C4' energy: -189.589 flat angles P-C4'-P energy: -128.852 tors. eta vs tors. theta energy: -280.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -3004.889508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.889508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.889508 (E_RNA) where: Base-Base interactions energy: -2049.605 where: short stacking energy: -875.392 Base-Backbone interact. energy: -2.524 local terms energy: -952.760969 where: bonds (distance) C4'-P energy: -164.202 bonds (distance) P-C4' energy: -179.691 flat angles C4'-P-C4' energy: -199.436 flat angles P-C4'-P energy: -135.617 tors. eta vs tors. theta energy: -273.814 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: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2857.712641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.712641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.712641 (E_RNA) where: Base-Base interactions energy: -1985.697 where: short stacking energy: -847.650 Base-Backbone interact. energy: -2.643 local terms energy: -869.372274 where: bonds (distance) C4'-P energy: -158.806 bonds (distance) P-C4' energy: -161.083 flat angles C4'-P-C4' energy: -172.245 flat angles P-C4'-P energy: -116.260 tors. eta vs tors. theta energy: -260.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2789.479161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.479161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.479161 (E_RNA) where: Base-Base interactions energy: -1936.045 where: short stacking energy: -851.622 Base-Backbone interact. energy: -5.268 local terms energy: -848.166480 where: bonds (distance) C4'-P energy: -138.280 bonds (distance) P-C4' energy: -160.743 flat angles C4'-P-C4' energy: -186.365 flat angles P-C4'-P energy: -109.858 tors. eta vs tors. theta energy: -252.921 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: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2725.405587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.405587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.405587 (E_RNA) where: Base-Base interactions energy: -1886.516 where: short stacking energy: -844.086 Base-Backbone interact. energy: 1.306 local terms energy: -840.196112 where: bonds (distance) C4'-P energy: -152.453 bonds (distance) P-C4' energy: -159.187 flat angles C4'-P-C4' energy: -170.361 flat angles P-C4'-P energy: -117.827 tors. eta vs tors. theta energy: -240.369 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: 373 Temperature: 1.150000 Total energy: -2649.107967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.107967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.107967 (E_RNA) where: Base-Base interactions energy: -1840.505 where: short stacking energy: -807.680 Base-Backbone interact. energy: -5.105 local terms energy: -803.498447 where: bonds (distance) C4'-P energy: -139.528 bonds (distance) P-C4' energy: -156.817 flat angles C4'-P-C4' energy: -174.382 flat angles P-C4'-P energy: -101.562 tors. eta vs tors. theta energy: -231.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2416.103094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.103094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.103094 (E_RNA) where: Base-Base interactions energy: -1675.144 where: short stacking energy: -694.614 Base-Backbone interact. energy: -3.625 local terms energy: -737.334461 where: bonds (distance) C4'-P energy: -134.206 bonds (distance) P-C4' energy: -137.605 flat angles C4'-P-C4' energy: -157.227 flat angles P-C4'-P energy: -110.328 tors. eta vs tors. theta energy: -197.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -2060.240163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.240163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.240163 (E_RNA) where: Base-Base interactions energy: -1395.044 where: short stacking energy: -601.170 Base-Backbone interact. energy: -1.009 local terms energy: -664.187060 where: bonds (distance) C4'-P energy: -130.406 bonds (distance) P-C4' energy: -150.670 flat angles C4'-P-C4' energy: -143.865 flat angles P-C4'-P energy: -85.389 tors. eta vs tors. theta energy: -153.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1372.551120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.551120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.551120 (E_RNA) where: Base-Base interactions energy: -838.464 where: short stacking energy: -406.543 Base-Backbone interact. energy: -1.850 local terms energy: -532.236680 where: bonds (distance) C4'-P energy: -119.900 bonds (distance) P-C4' energy: -131.718 flat angles C4'-P-C4' energy: -123.591 flat angles P-C4'-P energy: -85.473 tors. eta vs tors. theta energy: -71.554 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: 9 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1154.980692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.980692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.980692 (E_RNA) where: Base-Base interactions energy: -664.254 where: short stacking energy: -346.894 Base-Backbone interact. energy: -3.271 local terms energy: -487.455353 where: bonds (distance) C4'-P energy: -130.643 bonds (distance) P-C4' energy: -135.239 flat angles C4'-P-C4' energy: -135.454 flat angles P-C4'-P energy: -65.971 tors. eta vs tors. theta energy: -20.148 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: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3122.599268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.599268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.599268 (E_RNA) where: Base-Base interactions energy: -2199.084 where: short stacking energy: -929.969 Base-Backbone interact. energy: 0.489 local terms energy: -924.005094 where: bonds (distance) C4'-P energy: -148.624 bonds (distance) P-C4' energy: -165.901 flat angles C4'-P-C4' energy: -194.242 flat angles P-C4'-P energy: -138.447 tors. eta vs tors. theta energy: -276.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2980.554839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.554839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.554839 (E_RNA) where: Base-Base interactions energy: -2074.911 where: short stacking energy: -935.586 Base-Backbone interact. energy: 0.584 local terms energy: -906.227808 where: bonds (distance) C4'-P energy: -159.870 bonds (distance) P-C4' energy: -169.148 flat angles C4'-P-C4' energy: -184.722 flat angles P-C4'-P energy: -130.445 tors. eta vs tors. theta energy: -262.042 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: 374 Temperature: 1.000000 Total energy: -2863.423621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.423621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.423621 (E_RNA) where: Base-Base interactions energy: -1981.753 where: short stacking energy: -873.949 Base-Backbone interact. energy: 0.684 local terms energy: -882.355114 where: bonds (distance) C4'-P energy: -156.347 bonds (distance) P-C4' energy: -163.301 flat angles C4'-P-C4' energy: -181.704 flat angles P-C4'-P energy: -121.356 tors. eta vs tors. theta energy: -259.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2808.864234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.864234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.864234 (E_RNA) where: Base-Base interactions energy: -1968.963 where: short stacking energy: -858.247 Base-Backbone interact. energy: -0.939 local terms energy: -838.962505 where: bonds (distance) C4'-P energy: -152.519 bonds (distance) P-C4' energy: -155.501 flat angles C4'-P-C4' energy: -178.567 flat angles P-C4'-P energy: -120.149 tors. eta vs tors. theta energy: -232.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2720.254648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.254648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.254648 (E_RNA) where: Base-Base interactions energy: -1885.906 where: short stacking energy: -855.236 Base-Backbone interact. energy: -0.803 local terms energy: -833.545618 where: bonds (distance) C4'-P energy: -134.128 bonds (distance) P-C4' energy: -135.015 flat angles C4'-P-C4' energy: -180.630 flat angles P-C4'-P energy: -122.311 tors. eta vs tors. theta energy: -261.462 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: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2644.844742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.844742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.844742 (E_RNA) where: Base-Base interactions energy: -1839.966 where: short stacking energy: -808.126 Base-Backbone interact. energy: -2.724 local terms energy: -802.154718 where: bonds (distance) C4'-P energy: -143.729 bonds (distance) P-C4' energy: -127.179 flat angles C4'-P-C4' energy: -177.717 flat angles P-C4'-P energy: -125.408 tors. eta vs tors. theta energy: -228.121 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: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2460.310602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.310602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.310602 (E_RNA) where: Base-Base interactions energy: -1721.949 where: short stacking energy: -723.033 Base-Backbone interact. energy: 0.994 local terms energy: -739.355427 where: bonds (distance) C4'-P energy: -131.714 bonds (distance) P-C4' energy: -140.227 flat angles C4'-P-C4' energy: -168.184 flat angles P-C4'-P energy: -99.847 tors. eta vs tors. theta energy: -199.382 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: 374 Temperature: 1.250000 Total energy: -2044.744200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.744200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.744200 (E_RNA) where: Base-Base interactions energy: -1352.486 where: short stacking energy: -596.396 Base-Backbone interact. energy: -0.109 local terms energy: -692.148623 where: bonds (distance) C4'-P energy: -126.737 bonds (distance) P-C4' energy: -149.757 flat angles C4'-P-C4' energy: -144.691 flat angles P-C4'-P energy: -104.783 tors. eta vs tors. theta energy: -166.181 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: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1414.662205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.662205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.662205 (E_RNA) where: Base-Base interactions energy: -899.144 where: short stacking energy: -421.688 Base-Backbone interact. energy: 4.494 local terms energy: -520.011833 where: bonds (distance) C4'-P energy: -126.698 bonds (distance) P-C4' energy: -139.582 flat angles C4'-P-C4' energy: -131.156 flat angles P-C4'-P energy: -62.884 tors. eta vs tors. theta energy: -59.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1050.829095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.829095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.829095 (E_RNA) where: Base-Base interactions energy: -576.172 where: short stacking energy: -288.815 Base-Backbone interact. energy: -2.722 local terms energy: -471.934303 where: bonds (distance) C4'-P energy: -129.317 bonds (distance) P-C4' energy: -144.986 flat angles C4'-P-C4' energy: -130.581 flat angles P-C4'-P energy: -51.280 tors. eta vs tors. theta energy: -15.770 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: 1, replica: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3132.461010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.461010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.461010 (E_RNA) where: Base-Base interactions energy: -2203.475 where: short stacking energy: -921.224 Base-Backbone interact. energy: -3.266 local terms energy: -925.720465 where: bonds (distance) C4'-P energy: -163.183 bonds (distance) P-C4' energy: -171.863 flat angles C4'-P-C4' energy: -193.374 flat angles P-C4'-P energy: -122.196 tors. eta vs tors. theta energy: -275.104 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: 2, replica: 5 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2986.878532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.878532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.878532 (E_RNA) where: Base-Base interactions energy: -2086.157 where: short stacking energy: -908.822 Base-Backbone interact. energy: -3.779 local terms energy: -896.942261 where: bonds (distance) C4'-P energy: -161.472 bonds (distance) P-C4' energy: -164.067 flat angles C4'-P-C4' energy: -183.055 flat angles P-C4'-P energy: -114.222 tors. eta vs tors. theta energy: -274.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2877.368713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.368713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.368713 (E_RNA) where: Base-Base interactions energy: -1992.039 where: short stacking energy: -870.787 Base-Backbone interact. energy: -3.653 local terms energy: -881.676746 where: bonds (distance) C4'-P energy: -149.833 bonds (distance) P-C4' energy: -151.309 flat angles C4'-P-C4' energy: -186.513 flat angles P-C4'-P energy: -130.686 tors. eta vs tors. theta energy: -263.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2825.883285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.883285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.883285 (E_RNA) where: Base-Base interactions energy: -1975.216 where: short stacking energy: -849.124 Base-Backbone interact. energy: 4.144 local terms energy: -854.811313 where: bonds (distance) C4'-P energy: -150.614 bonds (distance) P-C4' energy: -141.998 flat angles C4'-P-C4' energy: -182.539 flat angles P-C4'-P energy: -120.074 tors. eta vs tors. theta energy: -259.587 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: 8 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2695.350703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.350703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.350703 (E_RNA) where: Base-Base interactions energy: -1863.235 where: short stacking energy: -814.305 Base-Backbone interact. energy: 3.092 local terms energy: -835.208654 where: bonds (distance) C4'-P energy: -150.936 bonds (distance) P-C4' energy: -139.504 flat angles C4'-P-C4' energy: -188.764 flat angles P-C4'-P energy: -116.525 tors. eta vs tors. theta energy: -239.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2601.474763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.474763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.474763 (E_RNA) where: Base-Base interactions energy: -1798.726 where: short stacking energy: -781.427 Base-Backbone interact. energy: -2.584 local terms energy: -800.164520 where: bonds (distance) C4'-P energy: -143.727 bonds (distance) P-C4' energy: -167.554 flat angles C4'-P-C4' energy: -161.214 flat angles P-C4'-P energy: -103.798 tors. eta vs tors. theta energy: -223.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2534.816231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.816231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.816231 (E_RNA) where: Base-Base interactions energy: -1812.293 where: short stacking energy: -758.618 Base-Backbone interact. energy: -3.379 local terms energy: -719.143937 where: bonds (distance) C4'-P energy: -120.704 bonds (distance) P-C4' energy: -132.204 flat angles C4'-P-C4' energy: -159.607 flat angles P-C4'-P energy: -89.850 tors. eta vs tors. theta energy: -216.778 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: 375 Temperature: 1.250000 Total energy: -2076.100237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.100237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.100237 (E_RNA) where: Base-Base interactions energy: -1368.730 where: short stacking energy: -601.591 Base-Backbone interact. energy: -3.852 local terms energy: -703.518249 where: bonds (distance) C4'-P energy: -121.597 bonds (distance) P-C4' energy: -159.662 flat angles C4'-P-C4' energy: -156.720 flat angles P-C4'-P energy: -99.186 tors. eta vs tors. theta energy: -166.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1397.562948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.562948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.562948 (E_RNA) where: Base-Base interactions energy: -855.626 where: short stacking energy: -398.035 Base-Backbone interact. energy: -3.087 local terms energy: -538.850038 where: bonds (distance) C4'-P energy: -152.529 bonds (distance) P-C4' energy: -133.674 flat angles C4'-P-C4' energy: -139.485 flat angles P-C4'-P energy: -66.541 tors. eta vs tors. theta energy: -46.622 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: 9 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1082.189574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.189574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.189574 (E_RNA) where: Base-Base interactions energy: -609.455 where: short stacking energy: -335.959 Base-Backbone interact. energy: -3.549 local terms energy: -469.185644 where: bonds (distance) C4'-P energy: -134.556 bonds (distance) P-C4' energy: -138.557 flat angles C4'-P-C4' energy: -88.693 flat angles P-C4'-P energy: -54.305 tors. eta vs tors. theta energy: -53.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3127.277740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.277740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.277740 (E_RNA) where: Base-Base interactions energy: -2176.332 where: short stacking energy: -915.438 Base-Backbone interact. energy: -3.626 local terms energy: -947.320218 where: bonds (distance) C4'-P energy: -157.785 bonds (distance) P-C4' energy: -187.970 flat angles C4'-P-C4' energy: -201.954 flat angles P-C4'-P energy: -122.163 tors. eta vs tors. theta energy: -277.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -3010.974551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.974551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.974551 (E_RNA) where: Base-Base interactions energy: -2084.387 where: short stacking energy: -916.704 Base-Backbone interact. energy: -1.914 local terms energy: -924.673966 where: bonds (distance) C4'-P energy: -161.930 bonds (distance) P-C4' energy: -164.827 flat angles C4'-P-C4' energy: -191.301 flat angles P-C4'-P energy: -134.208 tors. eta vs tors. theta energy: -272.408 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: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2879.267277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.267277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.267277 (E_RNA) where: Base-Base interactions energy: -2007.994 where: short stacking energy: -865.007 Base-Backbone interact. energy: 2.283 local terms energy: -873.556917 where: bonds (distance) C4'-P energy: -150.042 bonds (distance) P-C4' energy: -150.962 flat angles C4'-P-C4' energy: -188.695 flat angles P-C4'-P energy: -128.122 tors. eta vs tors. theta energy: -255.736 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: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2801.489017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.489017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.489017 (E_RNA) where: Base-Base interactions energy: -1968.231 where: short stacking energy: -837.775 Base-Backbone interact. energy: -2.877 local terms energy: -830.381696 where: bonds (distance) C4'-P energy: -144.778 bonds (distance) P-C4' energy: -141.464 flat angles C4'-P-C4' energy: -179.397 flat angles P-C4'-P energy: -116.682 tors. eta vs tors. theta energy: -248.061 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: 8 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2709.458072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.458072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.458072 (E_RNA) where: Base-Base interactions energy: -1902.171 where: short stacking energy: -814.773 Base-Backbone interact. energy: -0.421 local terms energy: -806.866119 where: bonds (distance) C4'-P energy: -142.411 bonds (distance) P-C4' energy: -134.941 flat angles C4'-P-C4' energy: -162.172 flat angles P-C4'-P energy: -116.493 tors. eta vs tors. theta energy: -250.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2595.203112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.203112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.203112 (E_RNA) where: Base-Base interactions energy: -1824.746 where: short stacking energy: -778.348 Base-Backbone interact. energy: 2.203 local terms energy: -772.659515 where: bonds (distance) C4'-P energy: -146.950 bonds (distance) P-C4' energy: -138.087 flat angles C4'-P-C4' energy: -171.885 flat angles P-C4'-P energy: -116.756 tors. eta vs tors. theta energy: -198.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2455.313026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.313026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.313026 (E_RNA) where: Base-Base interactions energy: -1746.088 where: short stacking energy: -726.012 Base-Backbone interact. energy: -3.954 local terms energy: -705.271162 where: bonds (distance) C4'-P energy: -147.405 bonds (distance) P-C4' energy: -116.620 flat angles C4'-P-C4' energy: -151.629 flat angles P-C4'-P energy: -85.953 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: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -2041.197853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.197853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.197853 (E_RNA) where: Base-Base interactions energy: -1345.177 where: short stacking energy: -572.596 Base-Backbone interact. energy: 3.257 local terms energy: -699.277120 where: bonds (distance) C4'-P energy: -130.308 bonds (distance) P-C4' energy: -147.500 flat angles C4'-P-C4' energy: -170.608 flat angles P-C4'-P energy: -85.148 tors. eta vs tors. theta energy: -165.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1115.839185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.839185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.839185 (E_RNA) where: Base-Base interactions energy: -618.547 where: short stacking energy: -346.552 Base-Backbone interact. energy: -3.575 local terms energy: -493.717664 where: bonds (distance) C4'-P energy: -138.958 bonds (distance) P-C4' energy: -135.151 flat angles C4'-P-C4' energy: -113.125 flat angles P-C4'-P energy: -62.086 tors. eta vs tors. theta energy: -44.398 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: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1349.798360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.798360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.798360 (E_RNA) where: Base-Base interactions energy: -856.454 where: short stacking energy: -397.967 Base-Backbone interact. energy: 0.523 local terms energy: -493.867234 where: bonds (distance) C4'-P energy: -123.605 bonds (distance) P-C4' energy: -119.463 flat angles C4'-P-C4' energy: -123.405 flat angles P-C4'-P energy: -80.960 tors. eta vs tors. theta energy: -46.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3123.953283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.953283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.953283 (E_RNA) where: Base-Base interactions energy: -2210.734 where: short stacking energy: -938.882 Base-Backbone interact. energy: -6.366 local terms energy: -906.853427 where: bonds (distance) C4'-P energy: -161.213 bonds (distance) P-C4' energy: -163.621 flat angles C4'-P-C4' energy: -185.534 flat angles P-C4'-P energy: -126.458 tors. eta vs tors. theta energy: -270.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -3016.208137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.208137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.208137 (E_RNA) where: Base-Base interactions energy: -2106.253 where: short stacking energy: -916.499 Base-Backbone interact. energy: -2.393 local terms energy: -907.562281 where: bonds (distance) C4'-P energy: -148.294 bonds (distance) P-C4' energy: -161.232 flat angles C4'-P-C4' energy: -189.754 flat angles P-C4'-P energy: -130.121 tors. eta vs tors. theta energy: -278.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2876.539522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.539522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.539522 (E_RNA) where: Base-Base interactions energy: -1990.046 where: short stacking energy: -839.159 Base-Backbone interact. energy: -4.449 local terms energy: -882.044320 where: bonds (distance) C4'-P energy: -161.548 bonds (distance) P-C4' energy: -168.423 flat angles C4'-P-C4' energy: -176.933 flat angles P-C4'-P energy: -126.133 tors. eta vs tors. theta energy: -249.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2781.097865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.097865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.097865 (E_RNA) where: Base-Base interactions energy: -1907.438 where: short stacking energy: -824.860 Base-Backbone interact. energy: -4.983 local terms energy: -868.677436 where: bonds (distance) C4'-P energy: -138.753 bonds (distance) P-C4' energy: -174.848 flat angles C4'-P-C4' energy: -185.007 flat angles P-C4'-P energy: -119.133 tors. eta vs tors. theta energy: -250.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2688.237678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.237678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.237678 (E_RNA) where: Base-Base interactions energy: -1878.492 where: short stacking energy: -812.087 Base-Backbone interact. energy: -1.309 local terms energy: -808.436907 where: bonds (distance) C4'-P energy: -145.489 bonds (distance) P-C4' energy: -137.224 flat angles C4'-P-C4' energy: -182.638 flat angles P-C4'-P energy: -110.561 tors. eta vs tors. theta energy: -232.526 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: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2590.283402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.283402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.283402 (E_RNA) where: Base-Base interactions energy: -1825.840 where: short stacking energy: -782.700 Base-Backbone interact. energy: -2.272 local terms energy: -762.171527 where: bonds (distance) C4'-P energy: -139.924 bonds (distance) P-C4' energy: -134.837 flat angles C4'-P-C4' energy: -174.914 flat angles P-C4'-P energy: -92.695 tors. eta vs tors. theta energy: -219.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2505.091688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.091688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.091688 (E_RNA) where: Base-Base interactions energy: -1763.885 where: short stacking energy: -733.144 Base-Backbone interact. energy: -3.403 local terms energy: -737.804493 where: bonds (distance) C4'-P energy: -138.385 bonds (distance) P-C4' energy: -137.319 flat angles C4'-P-C4' energy: -149.687 flat angles P-C4'-P energy: -95.006 tors. eta vs tors. theta energy: -217.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1996.748572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.748572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.748572 (E_RNA) where: Base-Base interactions energy: -1326.566 where: short stacking energy: -592.008 Base-Backbone interact. energy: -1.388 local terms energy: -668.794879 where: bonds (distance) C4'-P energy: -126.956 bonds (distance) P-C4' energy: -151.729 flat angles C4'-P-C4' energy: -127.398 flat angles P-C4'-P energy: -103.358 tors. eta vs tors. theta energy: -159.354 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: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1059.928163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.928163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.928163 (E_RNA) where: Base-Base interactions energy: -558.895 where: short stacking energy: -336.987 Base-Backbone interact. energy: 4.005 local terms energy: -505.038266 where: bonds (distance) C4'-P energy: -114.389 bonds (distance) P-C4' energy: -133.137 flat angles C4'-P-C4' energy: -152.163 flat angles P-C4'-P energy: -76.281 tors. eta vs tors. theta energy: -29.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1220.177283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.177283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.177283 (E_RNA) where: Base-Base interactions energy: -744.303 where: short stacking energy: -330.945 Base-Backbone interact. energy: -1.619 local terms energy: -474.254847 where: bonds (distance) C4'-P energy: -124.563 bonds (distance) P-C4' energy: -136.882 flat angles C4'-P-C4' energy: -108.161 flat angles P-C4'-P energy: -71.890 tors. eta vs tors. theta energy: -32.759 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: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3114.495897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.495897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.495897 (E_RNA) where: Base-Base interactions energy: -2198.075 where: short stacking energy: -920.635 Base-Backbone interact. energy: -2.836 local terms energy: -913.584778 where: bonds (distance) C4'-P energy: -172.683 bonds (distance) P-C4' energy: -161.922 flat angles C4'-P-C4' energy: -170.820 flat angles P-C4'-P energy: -128.894 tors. eta vs tors. theta energy: -279.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2994.450284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.450284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.450284 (E_RNA) where: Base-Base interactions energy: -2073.995 where: short stacking energy: -907.696 Base-Backbone interact. energy: -1.223 local terms energy: -919.233181 where: bonds (distance) C4'-P energy: -158.780 bonds (distance) P-C4' energy: -160.164 flat angles C4'-P-C4' energy: -189.986 flat angles P-C4'-P energy: -129.735 tors. eta vs tors. theta energy: -280.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2872.982712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.982712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.982712 (E_RNA) where: Base-Base interactions energy: -2009.051 where: short stacking energy: -852.209 Base-Backbone interact. energy: -1.480 local terms energy: -862.451610 where: bonds (distance) C4'-P energy: -158.201 bonds (distance) P-C4' energy: -146.520 flat angles C4'-P-C4' energy: -175.726 flat angles P-C4'-P energy: -128.438 tors. eta vs tors. theta energy: -253.566 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: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2771.028302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.028302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.028302 (E_RNA) where: Base-Base interactions energy: -1956.911 where: short stacking energy: -833.397 Base-Backbone interact. energy: 3.614 local terms energy: -817.731027 where: bonds (distance) C4'-P energy: -148.399 bonds (distance) P-C4' energy: -148.229 flat angles C4'-P-C4' energy: -168.219 flat angles P-C4'-P energy: -113.581 tors. eta vs tors. theta energy: -239.302 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: 8 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2715.765015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.765015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.765015 (E_RNA) where: Base-Base interactions energy: -1892.971 where: short stacking energy: -793.050 Base-Backbone interact. energy: -4.640 local terms energy: -818.154258 where: bonds (distance) C4'-P energy: -137.992 bonds (distance) P-C4' energy: -146.641 flat angles C4'-P-C4' energy: -179.441 flat angles P-C4'-P energy: -118.874 tors. eta vs tors. theta energy: -235.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2551.254132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.254132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.254132 (E_RNA) where: Base-Base interactions energy: -1766.935 where: short stacking energy: -765.042 Base-Backbone interact. energy: -2.951 local terms energy: -781.368060 where: bonds (distance) C4'-P energy: -131.667 bonds (distance) P-C4' energy: -162.935 flat angles C4'-P-C4' energy: -168.690 flat angles P-C4'-P energy: -105.928 tors. eta vs tors. theta energy: -212.148 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: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2449.463818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.463818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.463818 (E_RNA) where: Base-Base interactions energy: -1732.609 where: short stacking energy: -728.192 Base-Backbone interact. energy: 0.741 local terms energy: -717.595945 where: bonds (distance) C4'-P energy: -125.379 bonds (distance) P-C4' energy: -136.095 flat angles C4'-P-C4' energy: -153.683 flat angles P-C4'-P energy: -96.572 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: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1975.402908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.402908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.402908 (E_RNA) where: Base-Base interactions energy: -1348.710 where: short stacking energy: -611.530 Base-Backbone interact. energy: -1.220 local terms energy: -625.472702 where: bonds (distance) C4'-P energy: -107.188 bonds (distance) P-C4' energy: -143.294 flat angles C4'-P-C4' energy: -140.308 flat angles P-C4'-P energy: -87.451 tors. eta vs tors. theta energy: -147.232 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: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1290.745735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.745735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.745735 (E_RNA) where: Base-Base interactions energy: -815.028 where: short stacking energy: -385.723 Base-Backbone interact. energy: -3.129 local terms energy: -472.589466 where: bonds (distance) C4'-P energy: -117.803 bonds (distance) P-C4' energy: -130.471 flat angles C4'-P-C4' energy: -106.710 flat angles P-C4'-P energy: -85.949 tors. eta vs tors. theta energy: -31.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1153.906643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.906643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.906643 (E_RNA) where: Base-Base interactions energy: -670.937 where: short stacking energy: -348.499 Base-Backbone interact. energy: 2.635 local terms energy: -485.604679 where: bonds (distance) C4'-P energy: -113.677 bonds (distance) P-C4' energy: -152.549 flat angles C4'-P-C4' energy: -107.310 flat angles P-C4'-P energy: -66.415 tors. eta vs tors. theta energy: -45.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3137.846729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.846729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.846729 (E_RNA) where: Base-Base interactions energy: -2201.754 where: short stacking energy: -916.004 Base-Backbone interact. energy: -4.778 local terms energy: -931.314834 where: bonds (distance) C4'-P energy: -171.061 bonds (distance) P-C4' energy: -177.664 flat angles C4'-P-C4' energy: -191.779 flat angles P-C4'-P energy: -114.628 tors. eta vs tors. theta energy: -276.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -3027.189867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.189867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.189867 (E_RNA) where: Base-Base interactions energy: -2125.381 where: short stacking energy: -908.166 Base-Backbone interact. energy: -2.593 local terms energy: -899.216334 where: bonds (distance) C4'-P energy: -155.572 bonds (distance) P-C4' energy: -157.150 flat angles C4'-P-C4' energy: -186.160 flat angles P-C4'-P energy: -126.536 tors. eta vs tors. theta energy: -273.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2885.881298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.881298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.881298 (E_RNA) where: Base-Base interactions energy: -1997.169 where: short stacking energy: -899.512 Base-Backbone interact. energy: -1.176 local terms energy: -887.536750 where: bonds (distance) C4'-P energy: -141.514 bonds (distance) P-C4' energy: -174.675 flat angles C4'-P-C4' energy: -189.805 flat angles P-C4'-P energy: -119.265 tors. eta vs tors. theta energy: -262.279 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: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2829.435758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.435758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.435758 (E_RNA) where: Base-Base interactions energy: -1978.179 where: short stacking energy: -867.444 Base-Backbone interact. energy: 4.641 local terms energy: -855.897356 where: bonds (distance) C4'-P energy: -136.654 bonds (distance) P-C4' energy: -170.847 flat angles C4'-P-C4' energy: -186.534 flat angles P-C4'-P energy: -122.678 tors. eta vs tors. theta energy: -239.184 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: 8 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2760.341472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.341472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.341472 (E_RNA) where: Base-Base interactions energy: -1887.525 where: short stacking energy: -865.629 Base-Backbone interact. energy: -2.993 local terms energy: -869.823506 where: bonds (distance) C4'-P energy: -141.353 bonds (distance) P-C4' energy: -166.772 flat angles C4'-P-C4' energy: -189.514 flat angles P-C4'-P energy: -135.699 tors. eta vs tors. theta energy: -236.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2621.167404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.167404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.167404 (E_RNA) where: Base-Base interactions energy: -1850.031 where: short stacking energy: -819.978 Base-Backbone interact. energy: -4.282 local terms energy: -766.854839 where: bonds (distance) C4'-P energy: -138.919 bonds (distance) P-C4' energy: -126.665 flat angles C4'-P-C4' energy: -159.601 flat angles P-C4'-P energy: -114.412 tors. eta vs tors. theta energy: -227.257 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: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2465.274146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.274146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.274146 (E_RNA) where: Base-Base interactions energy: -1740.592 where: short stacking energy: -759.108 Base-Backbone interact. energy: -2.887 local terms energy: -721.795014 where: bonds (distance) C4'-P energy: -123.613 bonds (distance) P-C4' energy: -130.364 flat angles C4'-P-C4' energy: -155.431 flat angles P-C4'-P energy: -105.589 tors. eta vs tors. theta energy: -206.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1999.102753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.102753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.102753 (E_RNA) where: Base-Base interactions energy: -1355.503 where: short stacking energy: -599.264 Base-Backbone interact. energy: 0.628 local terms energy: -644.227153 where: bonds (distance) C4'-P energy: -116.490 bonds (distance) P-C4' energy: -132.747 flat angles C4'-P-C4' energy: -153.358 flat angles P-C4'-P energy: -81.430 tors. eta vs tors. theta energy: -160.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1342.062874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.062874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.062874 (E_RNA) where: Base-Base interactions energy: -822.019 where: short stacking energy: -393.050 Base-Backbone interact. energy: 3.131 local terms energy: -523.175048 where: bonds (distance) C4'-P energy: -120.534 bonds (distance) P-C4' energy: -133.319 flat angles C4'-P-C4' energy: -148.751 flat angles P-C4'-P energy: -75.297 tors. eta vs tors. theta energy: -45.274 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: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1143.185372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.185372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.185372 (E_RNA) where: Base-Base interactions energy: -637.561 where: short stacking energy: -314.181 Base-Backbone interact. energy: -1.660 local terms energy: -503.963874 where: bonds (distance) C4'-P energy: -127.518 bonds (distance) P-C4' energy: -151.465 flat angles C4'-P-C4' energy: -130.847 flat angles P-C4'-P energy: -64.334 tors. eta vs tors. theta energy: -29.800 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: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3140.915896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.915896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.915896 (E_RNA) where: Base-Base interactions energy: -2199.054 where: short stacking energy: -936.886 Base-Backbone interact. energy: -2.046 local terms energy: -939.816332 where: bonds (distance) C4'-P energy: -181.213 bonds (distance) P-C4' energy: -160.505 flat angles C4'-P-C4' energy: -192.451 flat angles P-C4'-P energy: -127.486 tors. eta vs tors. theta energy: -278.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -3039.103928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.103928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.103928 (E_RNA) where: Base-Base interactions energy: -2116.622 where: short stacking energy: -958.606 Base-Backbone interact. energy: -5.151 local terms energy: -917.330605 where: bonds (distance) C4'-P energy: -161.587 bonds (distance) P-C4' energy: -154.321 flat angles C4'-P-C4' energy: -193.482 flat angles P-C4'-P energy: -132.759 tors. eta vs tors. theta energy: -275.182 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: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2854.544394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.544394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.544394 (E_RNA) where: Base-Base interactions energy: -1967.427 where: short stacking energy: -832.842 Base-Backbone interact. energy: -2.139 local terms energy: -884.978120 where: bonds (distance) C4'-P energy: -158.580 bonds (distance) P-C4' energy: -159.247 flat angles C4'-P-C4' energy: -189.252 flat angles P-C4'-P energy: -119.392 tors. eta vs tors. theta energy: -258.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2817.473324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.473324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.473324 (E_RNA) where: Base-Base interactions energy: -1996.328 where: short stacking energy: -868.740 Base-Backbone interact. energy: 4.419 local terms energy: -825.564294 where: bonds (distance) C4'-P energy: -153.825 bonds (distance) P-C4' energy: -130.301 flat angles C4'-P-C4' energy: -171.956 flat angles P-C4'-P energy: -113.394 tors. eta vs tors. theta energy: -256.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2725.121443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.121443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.121443 (E_RNA) where: Base-Base interactions energy: -1910.541 where: short stacking energy: -836.762 Base-Backbone interact. energy: -4.095 local terms energy: -810.485105 where: bonds (distance) C4'-P energy: -121.486 bonds (distance) P-C4' energy: -142.136 flat angles C4'-P-C4' energy: -171.512 flat angles P-C4'-P energy: -123.654 tors. eta vs tors. theta energy: -251.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2589.867933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.867933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.867933 (E_RNA) where: Base-Base interactions energy: -1820.215 where: short stacking energy: -772.049 Base-Backbone interact. energy: -0.364 local terms energy: -769.289256 where: bonds (distance) C4'-P energy: -121.167 bonds (distance) P-C4' energy: -143.470 flat angles C4'-P-C4' energy: -169.749 flat angles P-C4'-P energy: -115.236 tors. eta vs tors. theta energy: -219.668 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: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2472.293304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.293304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.293304 (E_RNA) where: Base-Base interactions energy: -1746.095 where: short stacking energy: -752.711 Base-Backbone interact. energy: 0.604 local terms energy: -726.801806 where: bonds (distance) C4'-P energy: -144.651 bonds (distance) P-C4' energy: -118.028 flat angles C4'-P-C4' energy: -166.394 flat angles P-C4'-P energy: -97.726 tors. eta vs tors. theta energy: -200.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -2055.073083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.073083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.073083 (E_RNA) where: Base-Base interactions energy: -1387.749 where: short stacking energy: -621.019 Base-Backbone interact. energy: 0.961 local terms energy: -668.285143 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -138.795 flat angles C4'-P-C4' energy: -149.953 flat angles P-C4'-P energy: -89.218 tors. eta vs tors. theta energy: -161.947 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: 380 Temperature: 1.300000 Total energy: -1290.997953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.997953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.997953 (E_RNA) where: Base-Base interactions energy: -800.007 where: short stacking energy: -411.294 Base-Backbone interact. energy: 4.847 local terms energy: -495.838100 where: bonds (distance) C4'-P energy: -119.876 bonds (distance) P-C4' energy: -123.261 flat angles C4'-P-C4' energy: -115.519 flat angles P-C4'-P energy: -84.572 tors. eta vs tors. theta energy: -52.610 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: 10, replica: 9 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1146.976409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.976409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.976409 (E_RNA) where: Base-Base interactions energy: -668.647 where: short stacking energy: -328.148 Base-Backbone interact. energy: -5.344 local terms energy: -472.985548 where: bonds (distance) C4'-P energy: -129.291 bonds (distance) P-C4' energy: -146.589 flat angles C4'-P-C4' energy: -110.338 flat angles P-C4'-P energy: -59.714 tors. eta vs tors. theta energy: -27.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3117.568718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.568718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.568718 (E_RNA) where: Base-Base interactions energy: -2196.223 where: short stacking energy: -946.227 Base-Backbone interact. energy: -2.914 local terms energy: -918.432394 where: bonds (distance) C4'-P energy: -146.474 bonds (distance) P-C4' energy: -171.341 flat angles C4'-P-C4' energy: -191.644 flat angles P-C4'-P energy: -133.055 tors. eta vs tors. theta energy: -275.918 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: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -3002.916733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.916733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.916733 (E_RNA) where: Base-Base interactions energy: -2087.038 where: short stacking energy: -920.260 Base-Backbone interact. energy: -3.478 local terms energy: -912.401395 where: bonds (distance) C4'-P energy: -156.057 bonds (distance) P-C4' energy: -162.184 flat angles C4'-P-C4' energy: -191.628 flat angles P-C4'-P energy: -123.741 tors. eta vs tors. theta energy: -278.792 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: 3, replica: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2910.094660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.094660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.094660 (E_RNA) where: Base-Base interactions energy: -2029.814 where: short stacking energy: -873.593 Base-Backbone interact. energy: 0.274 local terms energy: -880.554501 where: bonds (distance) C4'-P energy: -157.497 bonds (distance) P-C4' energy: -160.869 flat angles C4'-P-C4' energy: -183.747 flat angles P-C4'-P energy: -125.168 tors. eta vs tors. theta energy: -253.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2868.337084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.337084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.337084 (E_RNA) where: Base-Base interactions energy: -2010.225 where: short stacking energy: -878.837 Base-Backbone interact. energy: -4.164 local terms energy: -853.948250 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -154.561 flat angles C4'-P-C4' energy: -182.423 flat angles P-C4'-P energy: -121.678 tors. eta vs tors. theta energy: -248.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2738.719720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.719720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.719720 (E_RNA) where: Base-Base interactions energy: -1927.750 where: short stacking energy: -855.236 Base-Backbone interact. energy: -3.140 local terms energy: -807.829706 where: bonds (distance) C4'-P energy: -134.895 bonds (distance) P-C4' energy: -149.734 flat angles C4'-P-C4' energy: -172.310 flat angles P-C4'-P energy: -113.529 tors. eta vs tors. theta energy: -237.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2608.509041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.509041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.509041 (E_RNA) where: Base-Base interactions energy: -1836.727 where: short stacking energy: -828.555 Base-Backbone interact. energy: -0.782 local terms energy: -771.000106 where: bonds (distance) C4'-P energy: -131.748 bonds (distance) P-C4' energy: -146.922 flat angles C4'-P-C4' energy: -159.790 flat angles P-C4'-P energy: -98.622 tors. eta vs tors. theta energy: -233.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2543.075137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.075137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.075137 (E_RNA) where: Base-Base interactions energy: -1748.487 where: short stacking energy: -741.299 Base-Backbone interact. energy: -1.207 local terms energy: -793.381145 where: bonds (distance) C4'-P energy: -153.011 bonds (distance) P-C4' energy: -159.861 flat angles C4'-P-C4' energy: -169.994 flat angles P-C4'-P energy: -104.682 tors. eta vs tors. theta energy: -205.834 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: 8, replica: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -2096.472131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.472131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.472131 (E_RNA) where: Base-Base interactions energy: -1415.469 where: short stacking energy: -620.727 Base-Backbone interact. energy: -3.408 local terms energy: -677.594931 where: bonds (distance) C4'-P energy: -138.198 bonds (distance) P-C4' energy: -129.469 flat angles C4'-P-C4' energy: -155.997 flat angles P-C4'-P energy: -99.961 tors. eta vs tors. theta energy: -153.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1382.046237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.046237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.046237 (E_RNA) where: Base-Base interactions energy: -876.678 where: short stacking energy: -384.620 Base-Backbone interact. energy: -2.763 local terms energy: -502.605409 where: bonds (distance) C4'-P energy: -136.043 bonds (distance) P-C4' energy: -126.824 flat angles C4'-P-C4' energy: -117.137 flat angles P-C4'-P energy: -84.873 tors. eta vs tors. theta energy: -37.728 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: 10, replica: 9 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1149.330623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.330623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.330623 (E_RNA) where: Base-Base interactions energy: -667.623 where: short stacking energy: -318.464 Base-Backbone interact. energy: 1.271 local terms energy: -482.978812 where: bonds (distance) C4'-P energy: -119.297 bonds (distance) P-C4' energy: -137.893 flat angles C4'-P-C4' energy: -128.758 flat angles P-C4'-P energy: -74.641 tors. eta vs tors. theta energy: -22.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3090.605398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.605398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.605398 (E_RNA) where: Base-Base interactions energy: -2169.314 where: short stacking energy: -922.910 Base-Backbone interact. energy: -8.471 local terms energy: -912.819883 where: bonds (distance) C4'-P energy: -169.436 bonds (distance) P-C4' energy: -156.995 flat angles C4'-P-C4' energy: -184.284 flat angles P-C4'-P energy: -131.455 tors. eta vs tors. theta energy: -270.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2991.854335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.854335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.854335 (E_RNA) where: Base-Base interactions energy: -2087.036 where: short stacking energy: -917.259 Base-Backbone interact. energy: -0.373 local terms energy: -904.445935 where: bonds (distance) C4'-P energy: -165.216 bonds (distance) P-C4' energy: -148.880 flat angles C4'-P-C4' energy: -183.873 flat angles P-C4'-P energy: -132.695 tors. eta vs tors. theta energy: -273.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2921.132082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.132082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.132082 (E_RNA) where: Base-Base interactions energy: -2045.580 where: short stacking energy: -862.678 Base-Backbone interact. energy: 0.231 local terms energy: -875.783577 where: bonds (distance) C4'-P energy: -158.019 bonds (distance) P-C4' energy: -159.157 flat angles C4'-P-C4' energy: -183.158 flat angles P-C4'-P energy: -118.815 tors. eta vs tors. theta energy: -256.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2786.834777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.834777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.834777 (E_RNA) where: Base-Base interactions energy: -1949.006 where: short stacking energy: -850.734 Base-Backbone interact. energy: 0.300 local terms energy: -838.128640 where: bonds (distance) C4'-P energy: -134.785 bonds (distance) P-C4' energy: -166.753 flat angles C4'-P-C4' energy: -178.933 flat angles P-C4'-P energy: -111.062 tors. eta vs tors. theta energy: -246.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2726.683829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.683829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.683829 (E_RNA) where: Base-Base interactions energy: -1880.110 where: short stacking energy: -826.425 Base-Backbone interact. energy: -2.475 local terms energy: -844.098967 where: bonds (distance) C4'-P energy: -146.789 bonds (distance) P-C4' energy: -156.658 flat angles C4'-P-C4' energy: -180.436 flat angles P-C4'-P energy: -121.719 tors. eta vs tors. theta energy: -238.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2588.667832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.667832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.667832 (E_RNA) where: Base-Base interactions energy: -1809.422 where: short stacking energy: -776.758 Base-Backbone interact. energy: 7.534 local terms energy: -786.779298 where: bonds (distance) C4'-P energy: -145.997 bonds (distance) P-C4' energy: -150.234 flat angles C4'-P-C4' energy: -161.328 flat angles P-C4'-P energy: -107.693 tors. eta vs tors. theta energy: -221.527 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: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2479.491527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.491527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.491527 (E_RNA) where: Base-Base interactions energy: -1744.993 where: short stacking energy: -729.636 Base-Backbone interact. energy: -5.053 local terms energy: -729.446169 where: bonds (distance) C4'-P energy: -124.358 bonds (distance) P-C4' energy: -144.224 flat angles C4'-P-C4' energy: -166.676 flat angles P-C4'-P energy: -93.194 tors. eta vs tors. theta energy: -200.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -2115.279475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.279475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.279475 (E_RNA) where: Base-Base interactions energy: -1425.668 where: short stacking energy: -664.496 Base-Backbone interact. energy: -2.930 local terms energy: -686.681945 where: bonds (distance) C4'-P energy: -123.075 bonds (distance) P-C4' energy: -143.557 flat angles C4'-P-C4' energy: -146.768 flat angles P-C4'-P energy: -109.476 tors. eta vs tors. theta energy: -163.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1399.728056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.728056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.728056 (E_RNA) where: Base-Base interactions energy: -857.663 where: short stacking energy: -410.003 Base-Backbone interact. energy: 0.135 local terms energy: -542.200041 where: bonds (distance) C4'-P energy: -124.417 bonds (distance) P-C4' energy: -137.616 flat angles C4'-P-C4' energy: -151.604 flat angles P-C4'-P energy: -86.050 tors. eta vs tors. theta energy: -42.512 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: 10, replica: 9 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1098.247720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.247720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.247720 (E_RNA) where: Base-Base interactions energy: -582.998 where: short stacking energy: -302.495 Base-Backbone interact. energy: -0.775 local terms energy: -514.474680 where: bonds (distance) C4'-P energy: -112.856 bonds (distance) P-C4' energy: -154.173 flat angles C4'-P-C4' energy: -116.214 flat angles P-C4'-P energy: -96.329 tors. eta vs tors. theta energy: -34.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3119.772942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.772942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.772942 (E_RNA) where: Base-Base interactions energy: -2188.139 where: short stacking energy: -911.803 Base-Backbone interact. energy: -6.768 local terms energy: -924.865740 where: bonds (distance) C4'-P energy: -174.045 bonds (distance) P-C4' energy: -152.656 flat angles C4'-P-C4' energy: -189.776 flat angles P-C4'-P energy: -136.630 tors. eta vs tors. theta energy: -271.759 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: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2994.666280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.666280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.666280 (E_RNA) where: Base-Base interactions energy: -2082.815 where: short stacking energy: -893.405 Base-Backbone interact. energy: 3.967 local terms energy: -915.818078 where: bonds (distance) C4'-P energy: -160.573 bonds (distance) P-C4' energy: -166.106 flat angles C4'-P-C4' energy: -189.180 flat angles P-C4'-P energy: -136.622 tors. eta vs tors. theta energy: -263.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2921.806133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.806133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.806133 (E_RNA) where: Base-Base interactions energy: -2003.227 where: short stacking energy: -872.089 Base-Backbone interact. energy: -4.060 local terms energy: -914.519465 where: bonds (distance) C4'-P energy: -163.456 bonds (distance) P-C4' energy: -155.557 flat angles C4'-P-C4' energy: -184.740 flat angles P-C4'-P energy: -134.687 tors. eta vs tors. theta energy: -276.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2805.388103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.388103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.388103 (E_RNA) where: Base-Base interactions energy: -1951.813 where: short stacking energy: -818.715 Base-Backbone interact. energy: -1.570 local terms energy: -852.005217 where: bonds (distance) C4'-P energy: -143.071 bonds (distance) P-C4' energy: -166.126 flat angles C4'-P-C4' energy: -182.334 flat angles P-C4'-P energy: -122.541 tors. eta vs tors. theta energy: -237.934 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: 8 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2717.160345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.160345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.160345 (E_RNA) where: Base-Base interactions energy: -1891.992 where: short stacking energy: -823.750 Base-Backbone interact. energy: -1.124 local terms energy: -824.043914 where: bonds (distance) C4'-P energy: -145.720 bonds (distance) P-C4' energy: -167.831 flat angles C4'-P-C4' energy: -159.132 flat angles P-C4'-P energy: -101.111 tors. eta vs tors. theta energy: -250.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2617.111612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.111612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.111612 (E_RNA) where: Base-Base interactions energy: -1838.989 where: short stacking energy: -790.141 Base-Backbone interact. energy: -2.635 local terms energy: -775.487505 where: bonds (distance) C4'-P energy: -140.781 bonds (distance) P-C4' energy: -129.032 flat angles C4'-P-C4' energy: -162.973 flat angles P-C4'-P energy: -106.835 tors. eta vs tors. theta energy: -235.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2443.046933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.046933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.046933 (E_RNA) where: Base-Base interactions energy: -1704.153 where: short stacking energy: -745.303 Base-Backbone interact. energy: -1.368 local terms energy: -737.526019 where: bonds (distance) C4'-P energy: -129.846 bonds (distance) P-C4' energy: -145.666 flat angles C4'-P-C4' energy: -159.467 flat angles P-C4'-P energy: -95.591 tors. eta vs tors. theta energy: -206.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -2145.691192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.691192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.691192 (E_RNA) where: Base-Base interactions energy: -1471.601 where: short stacking energy: -647.212 Base-Backbone interact. energy: 3.560 local terms energy: -677.649985 where: bonds (distance) C4'-P energy: -112.999 bonds (distance) P-C4' energy: -129.561 flat angles C4'-P-C4' energy: -167.964 flat angles P-C4'-P energy: -108.065 tors. eta vs tors. theta energy: -159.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1443.332510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.332510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.332510 (E_RNA) where: Base-Base interactions energy: -869.990 where: short stacking energy: -426.164 Base-Backbone interact. energy: -0.200 local terms energy: -573.142523 where: bonds (distance) C4'-P energy: -130.753 bonds (distance) P-C4' energy: -137.273 flat angles C4'-P-C4' energy: -146.994 flat angles P-C4'-P energy: -70.812 tors. eta vs tors. theta energy: -87.310 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: 10, replica: 9 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1105.678676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.678676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.678676 (E_RNA) where: Base-Base interactions energy: -639.276 where: short stacking energy: -340.122 Base-Backbone interact. energy: -0.016 local terms energy: -466.386709 where: bonds (distance) C4'-P energy: -118.673 bonds (distance) P-C4' energy: -123.002 flat angles C4'-P-C4' energy: -123.488 flat angles P-C4'-P energy: -64.695 tors. eta vs tors. theta energy: -36.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3142.417855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.417855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.417855 (E_RNA) where: Base-Base interactions energy: -2219.500 where: short stacking energy: -933.767 Base-Backbone interact. energy: -4.452 local terms energy: -918.466289 where: bonds (distance) C4'-P energy: -166.231 bonds (distance) P-C4' energy: -163.992 flat angles C4'-P-C4' energy: -189.172 flat angles P-C4'-P energy: -122.473 tors. eta vs tors. theta energy: -276.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3008.378126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.378126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.378126 (E_RNA) where: Base-Base interactions energy: -2121.318 where: short stacking energy: -894.644 Base-Backbone interact. energy: -2.170 local terms energy: -884.890392 where: bonds (distance) C4'-P energy: -157.716 bonds (distance) P-C4' energy: -148.590 flat angles C4'-P-C4' energy: -193.069 flat angles P-C4'-P energy: -118.502 tors. eta vs tors. theta energy: -267.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2895.122394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.122394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.122394 (E_RNA) where: Base-Base interactions energy: -2027.738 where: short stacking energy: -879.806 Base-Backbone interact. energy: -2.910 local terms energy: -864.474174 where: bonds (distance) C4'-P energy: -155.973 bonds (distance) P-C4' energy: -153.636 flat angles C4'-P-C4' energy: -174.956 flat angles P-C4'-P energy: -121.679 tors. eta vs tors. theta energy: -258.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2782.649270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.649270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.649270 (E_RNA) where: Base-Base interactions energy: -1951.140 where: short stacking energy: -847.804 Base-Backbone interact. energy: 6.081 local terms energy: -837.590158 where: bonds (distance) C4'-P energy: -124.223 bonds (distance) P-C4' energy: -160.092 flat angles C4'-P-C4' energy: -179.113 flat angles P-C4'-P energy: -126.185 tors. eta vs tors. theta energy: -247.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2683.143824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.143824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.143824 (E_RNA) where: Base-Base interactions energy: -1859.701 where: short stacking energy: -835.125 Base-Backbone interact. energy: 1.199 local terms energy: -824.642251 where: bonds (distance) C4'-P energy: -142.837 bonds (distance) P-C4' energy: -159.263 flat angles C4'-P-C4' energy: -167.986 flat angles P-C4'-P energy: -122.476 tors. eta vs tors. theta energy: -232.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2589.741395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.741395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.741395 (E_RNA) where: Base-Base interactions energy: -1785.407 where: short stacking energy: -762.065 Base-Backbone interact. energy: -0.994 local terms energy: -803.340849 where: bonds (distance) C4'-P energy: -156.955 bonds (distance) P-C4' energy: -156.227 flat angles C4'-P-C4' energy: -155.390 flat angles P-C4'-P energy: -114.634 tors. eta vs tors. theta energy: -220.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2378.909933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.909933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.909933 (E_RNA) where: Base-Base interactions energy: -1649.583 where: short stacking energy: -702.499 Base-Backbone interact. energy: -3.069 local terms energy: -726.258697 where: bonds (distance) C4'-P energy: -147.607 bonds (distance) P-C4' energy: -119.364 flat angles C4'-P-C4' energy: -156.561 flat angles P-C4'-P energy: -107.984 tors. eta vs tors. theta energy: -194.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -2104.531647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.531647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.531647 (E_RNA) where: Base-Base interactions energy: -1397.075 where: short stacking energy: -630.471 Base-Backbone interact. energy: 1.989 local terms energy: -709.445749 where: bonds (distance) C4'-P energy: -155.985 bonds (distance) P-C4' energy: -149.440 flat angles C4'-P-C4' energy: -148.043 flat angles P-C4'-P energy: -80.851 tors. eta vs tors. theta energy: -175.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1434.586791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.586791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.586791 (E_RNA) where: Base-Base interactions energy: -845.237 where: short stacking energy: -403.060 Base-Backbone interact. energy: -2.328 local terms energy: -587.022091 where: bonds (distance) C4'-P energy: -145.500 bonds (distance) P-C4' energy: -147.707 flat angles C4'-P-C4' energy: -138.041 flat angles P-C4'-P energy: -78.401 tors. eta vs tors. theta energy: -77.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1046.476683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.476683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.476683 (E_RNA) where: Base-Base interactions energy: -581.752 where: short stacking energy: -285.221 Base-Backbone interact. energy: 2.796 local terms energy: -467.520755 where: bonds (distance) C4'-P energy: -115.730 bonds (distance) P-C4' energy: -152.009 flat angles C4'-P-C4' energy: -125.892 flat angles P-C4'-P energy: -76.122 tors. eta vs tors. theta energy: 2.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3100.380540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.380540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.380540 (E_RNA) where: Base-Base interactions energy: -2190.811 where: short stacking energy: -913.922 Base-Backbone interact. energy: -2.050 local terms energy: -907.519456 where: bonds (distance) C4'-P energy: -144.173 bonds (distance) P-C4' energy: -170.030 flat angles C4'-P-C4' energy: -195.820 flat angles P-C4'-P energy: -137.792 tors. eta vs tors. theta energy: -259.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3042.418324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.418324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.418324 (E_RNA) where: Base-Base interactions energy: -2124.923 where: short stacking energy: -903.190 Base-Backbone interact. energy: -2.250 local terms energy: -915.245039 where: bonds (distance) C4'-P energy: -155.207 bonds (distance) P-C4' energy: -170.182 flat angles C4'-P-C4' energy: -195.710 flat angles P-C4'-P energy: -125.386 tors. eta vs tors. theta energy: -268.759 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: 4 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2953.035101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.035101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.035101 (E_RNA) where: Base-Base interactions energy: -2081.744 where: short stacking energy: -885.087 Base-Backbone interact. energy: -3.218 local terms energy: -868.072931 where: bonds (distance) C4'-P energy: -148.583 bonds (distance) P-C4' energy: -160.132 flat angles C4'-P-C4' energy: -176.605 flat angles P-C4'-P energy: -130.113 tors. eta vs tors. theta energy: -252.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2767.278645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.278645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.278645 (E_RNA) where: Base-Base interactions energy: -1915.284 where: short stacking energy: -826.646 Base-Backbone interact. energy: 2.091 local terms energy: -854.086014 where: bonds (distance) C4'-P energy: -161.734 bonds (distance) P-C4' energy: -164.055 flat angles C4'-P-C4' energy: -168.631 flat angles P-C4'-P energy: -128.076 tors. eta vs tors. theta energy: -231.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2683.780063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.780063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.780063 (E_RNA) where: Base-Base interactions energy: -1869.950 where: short stacking energy: -814.386 Base-Backbone interact. energy: -1.774 local terms energy: -812.055754 where: bonds (distance) C4'-P energy: -147.099 bonds (distance) P-C4' energy: -145.158 flat angles C4'-P-C4' energy: -179.289 flat angles P-C4'-P energy: -111.895 tors. eta vs tors. theta energy: -228.615 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: 385 Temperature: 1.150000 Total energy: -2602.974838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.974838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.974838 (E_RNA) where: Base-Base interactions energy: -1779.192 where: short stacking energy: -747.832 Base-Backbone interact. energy: 1.883 local terms energy: -825.666326 where: bonds (distance) C4'-P energy: -158.331 bonds (distance) P-C4' energy: -156.659 flat angles C4'-P-C4' energy: -160.674 flat angles P-C4'-P energy: -118.428 tors. eta vs tors. theta energy: -231.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2395.744621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.744621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.744621 (E_RNA) where: Base-Base interactions energy: -1662.349 where: short stacking energy: -732.243 Base-Backbone interact. energy: 0.755 local terms energy: -734.150461 where: bonds (distance) C4'-P energy: -145.758 bonds (distance) P-C4' energy: -140.389 flat angles C4'-P-C4' energy: -176.286 flat angles P-C4'-P energy: -80.960 tors. eta vs tors. theta energy: -190.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -2071.778794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.778794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.778794 (E_RNA) where: Base-Base interactions energy: -1417.174 where: short stacking energy: -639.164 Base-Backbone interact. energy: -1.870 local terms energy: -652.734963 where: bonds (distance) C4'-P energy: -140.911 bonds (distance) P-C4' energy: -127.870 flat angles C4'-P-C4' energy: -142.209 flat angles P-C4'-P energy: -94.881 tors. eta vs tors. theta energy: -146.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1398.754983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.754983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.754983 (E_RNA) where: Base-Base interactions energy: -864.796 where: short stacking energy: -400.474 Base-Backbone interact. energy: -1.038 local terms energy: -532.920327 where: bonds (distance) C4'-P energy: -136.647 bonds (distance) P-C4' energy: -137.131 flat angles C4'-P-C4' energy: -130.979 flat angles P-C4'-P energy: -80.497 tors. eta vs tors. theta energy: -47.667 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: 10, replica: 9 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1026.002499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.002499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.002499 (E_RNA) where: Base-Base interactions energy: -555.262 where: short stacking energy: -337.748 Base-Backbone interact. energy: -2.486 local terms energy: -468.255240 where: bonds (distance) C4'-P energy: -114.188 bonds (distance) P-C4' energy: -138.553 flat angles C4'-P-C4' energy: -125.703 flat angles P-C4'-P energy: -73.639 tors. eta vs tors. theta energy: -16.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3114.314836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.314836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.314836 (E_RNA) where: Base-Base interactions energy: -2189.040 where: short stacking energy: -912.687 Base-Backbone interact. energy: -4.863 local terms energy: -920.411923 where: bonds (distance) C4'-P energy: -157.972 bonds (distance) P-C4' energy: -173.109 flat angles C4'-P-C4' energy: -195.334 flat angles P-C4'-P energy: -137.146 tors. eta vs tors. theta energy: -256.851 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: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -3030.563431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.563431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.563431 (E_RNA) where: Base-Base interactions energy: -2104.117 where: short stacking energy: -931.644 Base-Backbone interact. energy: -4.209 local terms energy: -922.237459 where: bonds (distance) C4'-P energy: -162.174 bonds (distance) P-C4' energy: -159.815 flat angles C4'-P-C4' energy: -190.398 flat angles P-C4'-P energy: -130.596 tors. eta vs tors. theta energy: -279.255 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: 4 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2896.642132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.642132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.642132 (E_RNA) where: Base-Base interactions energy: -2010.538 where: short stacking energy: -864.604 Base-Backbone interact. energy: -4.966 local terms energy: -881.138008 where: bonds (distance) C4'-P energy: -151.453 bonds (distance) P-C4' energy: -161.114 flat angles C4'-P-C4' energy: -180.441 flat angles P-C4'-P energy: -126.373 tors. eta vs tors. theta energy: -261.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2789.252629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.252629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.252629 (E_RNA) where: Base-Base interactions energy: -1997.210 where: short stacking energy: -868.057 Base-Backbone interact. energy: 1.459 local terms energy: -793.501984 where: bonds (distance) C4'-P energy: -165.572 bonds (distance) P-C4' energy: -131.768 flat angles C4'-P-C4' energy: -154.320 flat angles P-C4'-P energy: -105.787 tors. eta vs tors. theta energy: -236.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2704.946921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.946921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.946921 (E_RNA) where: Base-Base interactions energy: -1885.524 where: short stacking energy: -806.715 Base-Backbone interact. energy: -6.476 local terms energy: -812.947322 where: bonds (distance) C4'-P energy: -148.973 bonds (distance) P-C4' energy: -144.895 flat angles C4'-P-C4' energy: -177.706 flat angles P-C4'-P energy: -107.492 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: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2590.794716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.794716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.794716 (E_RNA) where: Base-Base interactions energy: -1805.849 where: short stacking energy: -776.184 Base-Backbone interact. energy: -2.440 local terms energy: -782.505455 where: bonds (distance) C4'-P energy: -133.938 bonds (distance) P-C4' energy: -156.803 flat angles C4'-P-C4' energy: -172.492 flat angles P-C4'-P energy: -87.551 tors. eta vs tors. theta energy: -231.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2428.455652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.455652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.455652 (E_RNA) where: Base-Base interactions energy: -1675.007 where: short stacking energy: -734.728 Base-Backbone interact. energy: 1.911 local terms energy: -755.360416 where: bonds (distance) C4'-P energy: -153.918 bonds (distance) P-C4' energy: -130.860 flat angles C4'-P-C4' energy: -175.549 flat angles P-C4'-P energy: -96.657 tors. eta vs tors. theta energy: -198.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -2071.984978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.984978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.984978 (E_RNA) where: Base-Base interactions energy: -1442.007 where: short stacking energy: -620.118 Base-Backbone interact. energy: -2.799 local terms energy: -627.179562 where: bonds (distance) C4'-P energy: -119.715 bonds (distance) P-C4' energy: -117.114 flat angles C4'-P-C4' energy: -143.953 flat angles P-C4'-P energy: -100.148 tors. eta vs tors. theta energy: -146.249 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: 386 Temperature: 1.300000 Total energy: -1371.570290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.570290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.570290 (E_RNA) where: Base-Base interactions energy: -863.622 where: short stacking energy: -409.764 Base-Backbone interact. energy: -3.134 local terms energy: -504.814037 where: bonds (distance) C4'-P energy: -115.841 bonds (distance) P-C4' energy: -149.465 flat angles C4'-P-C4' energy: -117.274 flat angles P-C4'-P energy: -73.066 tors. eta vs tors. theta energy: -49.168 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: 9 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -999.450246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.450246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.450246 (E_RNA) where: Base-Base interactions energy: -581.513 where: short stacking energy: -301.510 Base-Backbone interact. energy: 5.212 local terms energy: -423.149313 where: bonds (distance) C4'-P energy: -110.754 bonds (distance) P-C4' energy: -136.029 flat angles C4'-P-C4' energy: -111.480 flat angles P-C4'-P energy: -65.384 tors. eta vs tors. theta energy: 0.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3117.774351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.774351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.774351 (E_RNA) where: Base-Base interactions energy: -2190.366 where: short stacking energy: -935.890 Base-Backbone interact. energy: -6.453 local terms energy: -920.955672 where: bonds (distance) C4'-P energy: -152.371 bonds (distance) P-C4' energy: -172.457 flat angles C4'-P-C4' energy: -196.848 flat angles P-C4'-P energy: -134.954 tors. eta vs tors. theta energy: -264.326 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: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -3036.884212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.884212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.884212 (E_RNA) where: Base-Base interactions energy: -2122.534 where: short stacking energy: -922.805 Base-Backbone interact. energy: -2.982 local terms energy: -911.368277 where: bonds (distance) C4'-P energy: -159.341 bonds (distance) P-C4' energy: -167.636 flat angles C4'-P-C4' energy: -193.859 flat angles P-C4'-P energy: -115.882 tors. eta vs tors. theta energy: -274.651 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: 4 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2930.479159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.479159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.479159 (E_RNA) where: Base-Base interactions energy: -2032.383 where: short stacking energy: -868.237 Base-Backbone interact. energy: 0.569 local terms energy: -898.664513 where: bonds (distance) C4'-P energy: -170.289 bonds (distance) P-C4' energy: -152.438 flat angles C4'-P-C4' energy: -202.302 flat angles P-C4'-P energy: -116.787 tors. eta vs tors. theta energy: -256.847 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: 387 Temperature: 1.050000 Total energy: -2814.855769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.855769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.855769 (E_RNA) where: Base-Base interactions energy: -1982.889 where: short stacking energy: -852.413 Base-Backbone interact. energy: 3.811 local terms energy: -835.778013 where: bonds (distance) C4'-P energy: -146.441 bonds (distance) P-C4' energy: -155.955 flat angles C4'-P-C4' energy: -179.978 flat angles P-C4'-P energy: -115.393 tors. eta vs tors. theta energy: -238.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2719.276147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.276147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.276147 (E_RNA) where: Base-Base interactions energy: -1926.263 where: short stacking energy: -817.346 Base-Backbone interact. energy: -4.232 local terms energy: -788.781030 where: bonds (distance) C4'-P energy: -137.926 bonds (distance) P-C4' energy: -139.903 flat angles C4'-P-C4' energy: -165.528 flat angles P-C4'-P energy: -96.992 tors. eta vs tors. theta energy: -248.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2580.476195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.476195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.476195 (E_RNA) where: Base-Base interactions energy: -1818.231 where: short stacking energy: -788.244 Base-Backbone interact. energy: -0.790 local terms energy: -761.455476 where: bonds (distance) C4'-P energy: -134.160 bonds (distance) P-C4' energy: -132.834 flat angles C4'-P-C4' energy: -181.835 flat angles P-C4'-P energy: -104.441 tors. eta vs tors. theta energy: -208.187 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: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2414.401170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.401170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.401170 (E_RNA) where: Base-Base interactions energy: -1660.228 where: short stacking energy: -714.140 Base-Backbone interact. energy: -2.011 local terms energy: -752.162013 where: bonds (distance) C4'-P energy: -130.542 bonds (distance) P-C4' energy: -149.276 flat angles C4'-P-C4' energy: -170.778 flat angles P-C4'-P energy: -106.225 tors. eta vs tors. theta energy: -195.341 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: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -2084.928778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.928778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.928778 (E_RNA) where: Base-Base interactions energy: -1413.097 where: short stacking energy: -626.749 Base-Backbone interact. energy: -3.524 local terms energy: -668.307335 where: bonds (distance) C4'-P energy: -128.564 bonds (distance) P-C4' energy: -138.318 flat angles C4'-P-C4' energy: -140.253 flat angles P-C4'-P energy: -102.622 tors. eta vs tors. theta energy: -158.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1465.278051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.278051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.278051 (E_RNA) where: Base-Base interactions energy: -913.738 where: short stacking energy: -436.115 Base-Backbone interact. energy: -2.096 local terms energy: -549.443967 where: bonds (distance) C4'-P energy: -124.765 bonds (distance) P-C4' energy: -124.677 flat angles C4'-P-C4' energy: -140.359 flat angles P-C4'-P energy: -75.074 tors. eta vs tors. theta energy: -84.569 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: 10, replica: 9 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1019.829888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.829888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.829888 (E_RNA) where: Base-Base interactions energy: -567.158 where: short stacking energy: -320.255 Base-Backbone interact. energy: 2.623 local terms energy: -455.294237 where: bonds (distance) C4'-P energy: -111.531 bonds (distance) P-C4' energy: -129.272 flat angles C4'-P-C4' energy: -105.978 flat angles P-C4'-P energy: -84.147 tors. eta vs tors. theta energy: -24.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3130.895479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.895479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.895479 (E_RNA) where: Base-Base interactions energy: -2204.781 where: short stacking energy: -938.513 Base-Backbone interact. energy: -6.709 local terms energy: -919.405360 where: bonds (distance) C4'-P energy: -144.719 bonds (distance) P-C4' energy: -176.700 flat angles C4'-P-C4' energy: -200.779 flat angles P-C4'-P energy: -133.899 tors. eta vs tors. theta energy: -263.308 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: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -3026.383400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.383400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.383400 (E_RNA) where: Base-Base interactions energy: -2139.369 where: short stacking energy: -900.112 Base-Backbone interact. energy: -3.005 local terms energy: -884.009041 where: bonds (distance) C4'-P energy: -140.090 bonds (distance) P-C4' energy: -163.184 flat angles C4'-P-C4' energy: -193.033 flat angles P-C4'-P energy: -128.180 tors. eta vs tors. theta energy: -259.522 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: 4 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2921.749833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.749833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.749833 (E_RNA) where: Base-Base interactions energy: -2054.612 where: short stacking energy: -901.244 Base-Backbone interact. energy: -4.230 local terms energy: -862.908054 where: bonds (distance) C4'-P energy: -143.768 bonds (distance) P-C4' energy: -148.547 flat angles C4'-P-C4' energy: -189.615 flat angles P-C4'-P energy: -119.259 tors. eta vs tors. theta energy: -261.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2767.210922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.210922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.210922 (E_RNA) where: Base-Base interactions energy: -1948.033 where: short stacking energy: -841.810 Base-Backbone interact. energy: -0.871 local terms energy: -818.307300 where: bonds (distance) C4'-P energy: -150.624 bonds (distance) P-C4' energy: -148.012 flat angles C4'-P-C4' energy: -177.014 flat angles P-C4'-P energy: -105.636 tors. eta vs tors. theta energy: -237.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2706.790878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.790878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.790878 (E_RNA) where: Base-Base interactions energy: -1903.797 where: short stacking energy: -838.537 Base-Backbone interact. energy: 2.170 local terms energy: -805.163979 where: bonds (distance) C4'-P energy: -138.039 bonds (distance) P-C4' energy: -150.114 flat angles C4'-P-C4' energy: -176.197 flat angles P-C4'-P energy: -110.059 tors. eta vs tors. theta energy: -230.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2656.837974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.837974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.837974 (E_RNA) where: Base-Base interactions energy: -1837.454 where: short stacking energy: -831.736 Base-Backbone interact. energy: -2.583 local terms energy: -816.800740 where: bonds (distance) C4'-P energy: -138.019 bonds (distance) P-C4' energy: -150.937 flat angles C4'-P-C4' energy: -171.367 flat angles P-C4'-P energy: -126.796 tors. eta vs tors. theta energy: -229.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2349.033552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.033552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.033552 (E_RNA) where: Base-Base interactions energy: -1651.366 where: short stacking energy: -698.539 Base-Backbone interact. energy: -3.118 local terms energy: -694.549217 where: bonds (distance) C4'-P energy: -135.770 bonds (distance) P-C4' energy: -124.679 flat angles C4'-P-C4' energy: -168.066 flat angles P-C4'-P energy: -86.297 tors. eta vs tors. theta energy: -179.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -2040.520322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.520322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.520322 (E_RNA) where: Base-Base interactions energy: -1384.879 where: short stacking energy: -627.622 Base-Backbone interact. energy: 0.786 local terms energy: -656.427560 where: bonds (distance) C4'-P energy: -131.693 bonds (distance) P-C4' energy: -146.750 flat angles C4'-P-C4' energy: -143.763 flat angles P-C4'-P energy: -84.006 tors. eta vs tors. theta energy: -150.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1512.504915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.504915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.504915 (E_RNA) where: Base-Base interactions energy: -924.077 where: short stacking energy: -460.880 Base-Backbone interact. energy: -0.210 local terms energy: -588.218363 where: bonds (distance) C4'-P energy: -143.257 bonds (distance) P-C4' energy: -137.518 flat angles C4'-P-C4' energy: -143.386 flat angles P-C4'-P energy: -70.678 tors. eta vs tors. theta energy: -93.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -943.988088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.988088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.988088 (E_RNA) where: Base-Base interactions energy: -488.692 where: short stacking energy: -286.104 Base-Backbone interact. energy: 4.110 local terms energy: -459.406335 where: bonds (distance) C4'-P energy: -135.575 bonds (distance) P-C4' energy: -141.640 flat angles C4'-P-C4' energy: -107.989 flat angles P-C4'-P energy: -67.643 tors. eta vs tors. theta energy: -6.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3122.248267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.248267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.248267 (E_RNA) where: Base-Base interactions energy: -2183.235 where: short stacking energy: -930.354 Base-Backbone interact. energy: -6.815 local terms energy: -932.198511 where: bonds (distance) C4'-P energy: -161.022 bonds (distance) P-C4' energy: -179.222 flat angles C4'-P-C4' energy: -194.074 flat angles P-C4'-P energy: -126.359 tors. eta vs tors. theta energy: -271.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -3022.362144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.362144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.362144 (E_RNA) where: Base-Base interactions energy: -2079.540 where: short stacking energy: -904.026 Base-Backbone interact. energy: -2.431 local terms energy: -940.390926 where: bonds (distance) C4'-P energy: -158.168 bonds (distance) P-C4' energy: -175.846 flat angles C4'-P-C4' energy: -197.680 flat angles P-C4'-P energy: -131.542 tors. eta vs tors. theta energy: -277.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2911.376056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.376056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.376056 (E_RNA) where: Base-Base interactions energy: -2026.368 where: short stacking energy: -871.763 Base-Backbone interact. energy: -1.351 local terms energy: -883.657921 where: bonds (distance) C4'-P energy: -134.649 bonds (distance) P-C4' energy: -165.288 flat angles C4'-P-C4' energy: -185.758 flat angles P-C4'-P energy: -134.251 tors. eta vs tors. theta energy: -263.711 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: 389 Temperature: 1.050000 Total energy: -2776.175169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.175169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.175169 (E_RNA) where: Base-Base interactions energy: -1947.717 where: short stacking energy: -813.752 Base-Backbone interact. energy: -2.081 local terms energy: -826.376712 where: bonds (distance) C4'-P energy: -140.208 bonds (distance) P-C4' energy: -148.539 flat angles C4'-P-C4' energy: -190.302 flat angles P-C4'-P energy: -120.105 tors. eta vs tors. theta energy: -227.223 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: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2691.007962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.007962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.007962 (E_RNA) where: Base-Base interactions energy: -1896.592 where: short stacking energy: -829.261 Base-Backbone interact. energy: 3.005 local terms energy: -797.420640 where: bonds (distance) C4'-P energy: -139.308 bonds (distance) P-C4' energy: -124.682 flat angles C4'-P-C4' energy: -184.205 flat angles P-C4'-P energy: -115.021 tors. eta vs tors. theta energy: -234.204 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: 6, replica: 2 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2610.112636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.112636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.112636 (E_RNA) where: Base-Base interactions energy: -1799.895 where: short stacking energy: -794.201 Base-Backbone interact. energy: -4.160 local terms energy: -806.057422 where: bonds (distance) C4'-P energy: -139.868 bonds (distance) P-C4' energy: -141.546 flat angles C4'-P-C4' energy: -176.340 flat angles P-C4'-P energy: -110.671 tors. eta vs tors. theta energy: -237.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2348.249065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.249065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.249065 (E_RNA) where: Base-Base interactions energy: -1598.730 where: short stacking energy: -694.465 Base-Backbone interact. energy: 0.529 local terms energy: -750.048001 where: bonds (distance) C4'-P energy: -145.395 bonds (distance) P-C4' energy: -141.412 flat angles C4'-P-C4' energy: -159.866 flat angles P-C4'-P energy: -115.003 tors. eta vs tors. theta energy: -188.373 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: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1985.348358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.348358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.348358 (E_RNA) where: Base-Base interactions energy: -1329.170 where: short stacking energy: -603.401 Base-Backbone interact. energy: -2.712 local terms energy: -653.465817 where: bonds (distance) C4'-P energy: -134.618 bonds (distance) P-C4' energy: -131.072 flat angles C4'-P-C4' energy: -167.498 flat angles P-C4'-P energy: -79.939 tors. eta vs tors. theta energy: -140.338 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: 10 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1478.202017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.202017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.202017 (E_RNA) where: Base-Base interactions energy: -910.118 where: short stacking energy: -419.788 Base-Backbone interact. energy: -0.316 local terms energy: -567.767646 where: bonds (distance) C4'-P energy: -128.638 bonds (distance) P-C4' energy: -136.737 flat angles C4'-P-C4' energy: -119.747 flat angles P-C4'-P energy: -100.674 tors. eta vs tors. theta energy: -81.972 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: 9 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1008.091222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.091222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.091222 (E_RNA) where: Base-Base interactions energy: -536.842 where: short stacking energy: -300.989 Base-Backbone interact. energy: 1.173 local terms energy: -472.422598 where: bonds (distance) C4'-P energy: -141.308 bonds (distance) P-C4' energy: -147.287 flat angles C4'-P-C4' energy: -108.408 flat angles P-C4'-P energy: -66.142 tors. eta vs tors. theta energy: -9.278 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: 3 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3107.684314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.684314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.684314 (E_RNA) where: Base-Base interactions energy: -2208.679 where: short stacking energy: -919.995 Base-Backbone interact. energy: 2.154 local terms energy: -901.159263 where: bonds (distance) C4'-P energy: -152.644 bonds (distance) P-C4' energy: -163.815 flat angles C4'-P-C4' energy: -194.258 flat angles P-C4'-P energy: -122.623 tors. eta vs tors. theta energy: -267.819 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: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -3042.430571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.430571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.430571 (E_RNA) where: Base-Base interactions energy: -2128.980 where: short stacking energy: -906.100 Base-Backbone interact. energy: -1.051 local terms energy: -912.399093 where: bonds (distance) C4'-P energy: -150.497 bonds (distance) P-C4' energy: -167.305 flat angles C4'-P-C4' energy: -196.342 flat angles P-C4'-P energy: -125.507 tors. eta vs tors. theta energy: -272.748 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: 4 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2889.809237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.809237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.809237 (E_RNA) where: Base-Base interactions energy: -2009.594 where: short stacking energy: -865.987 Base-Backbone interact. energy: 1.891 local terms energy: -882.105878 where: bonds (distance) C4'-P energy: -148.750 bonds (distance) P-C4' energy: -173.851 flat angles C4'-P-C4' energy: -174.886 flat angles P-C4'-P energy: -124.137 tors. eta vs tors. theta energy: -260.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2796.135561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.135561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.135561 (E_RNA) where: Base-Base interactions energy: -1964.423 where: short stacking energy: -817.179 Base-Backbone interact. energy: 1.546 local terms energy: -833.258890 where: bonds (distance) C4'-P energy: -147.643 bonds (distance) P-C4' energy: -160.362 flat angles C4'-P-C4' energy: -176.487 flat angles P-C4'-P energy: -118.938 tors. eta vs tors. theta energy: -229.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2691.917301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.917301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.917301 (E_RNA) where: Base-Base interactions energy: -1886.882 where: short stacking energy: -802.290 Base-Backbone interact. energy: -1.933 local terms energy: -803.102386 where: bonds (distance) C4'-P energy: -148.618 bonds (distance) P-C4' energy: -147.184 flat angles C4'-P-C4' energy: -161.071 flat angles P-C4'-P energy: -109.229 tors. eta vs tors. theta energy: -237.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2611.339147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.339147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.339147 (E_RNA) where: Base-Base interactions energy: -1813.296 where: short stacking energy: -785.132 Base-Backbone interact. energy: -1.151 local terms energy: -796.891981 where: bonds (distance) C4'-P energy: -144.025 bonds (distance) P-C4' energy: -138.481 flat angles C4'-P-C4' energy: -173.911 flat angles P-C4'-P energy: -104.486 tors. eta vs tors. theta energy: -235.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2339.309132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.309132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.309132 (E_RNA) where: Base-Base interactions energy: -1601.328 where: short stacking energy: -689.633 Base-Backbone interact. energy: 1.579 local terms energy: -739.560185 where: bonds (distance) C4'-P energy: -136.752 bonds (distance) P-C4' energy: -160.356 flat angles C4'-P-C4' energy: -163.390 flat angles P-C4'-P energy: -97.574 tors. eta vs tors. theta energy: -181.489 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: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1926.860260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.860260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.860260 (E_RNA) where: Base-Base interactions energy: -1294.415 where: short stacking energy: -584.956 Base-Backbone interact. energy: -1.883 local terms energy: -630.562439 where: bonds (distance) C4'-P energy: -126.778 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -142.251 flat angles P-C4'-P energy: -94.453 tors. eta vs tors. theta energy: -124.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1542.508198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.508198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.508198 (E_RNA) where: Base-Base interactions energy: -979.542 where: short stacking energy: -480.335 Base-Backbone interact. energy: -0.015 local terms energy: -562.950649 where: bonds (distance) C4'-P energy: -117.586 bonds (distance) P-C4' energy: -125.740 flat angles C4'-P-C4' energy: -135.706 flat angles P-C4'-P energy: -83.552 tors. eta vs tors. theta energy: -100.367 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: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1002.266013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.266013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.266013 (E_RNA) where: Base-Base interactions energy: -506.779 where: short stacking energy: -287.133 Base-Backbone interact. energy: 3.851 local terms energy: -499.337895 where: bonds (distance) C4'-P energy: -119.205 bonds (distance) P-C4' energy: -146.341 flat angles C4'-P-C4' energy: -137.321 flat angles P-C4'-P energy: -63.637 tors. eta vs tors. theta energy: -32.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3102.482396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.482396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.482396 (E_RNA) where: Base-Base interactions energy: -2150.295 where: short stacking energy: -917.216 Base-Backbone interact. energy: 1.319 local terms energy: -953.506676 where: bonds (distance) C4'-P energy: -176.169 bonds (distance) P-C4' energy: -172.533 flat angles C4'-P-C4' energy: -201.119 flat angles P-C4'-P energy: -134.050 tors. eta vs tors. theta energy: -269.636 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: 2, replica: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -3011.408673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.408673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.408673 (E_RNA) where: Base-Base interactions energy: -2135.710 where: short stacking energy: -928.898 Base-Backbone interact. energy: -5.753 local terms energy: -869.946374 where: bonds (distance) C4'-P energy: -147.606 bonds (distance) P-C4' energy: -146.487 flat angles C4'-P-C4' energy: -192.508 flat angles P-C4'-P energy: -124.523 tors. eta vs tors. theta energy: -258.822 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: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2893.728274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.728274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.728274 (E_RNA) where: Base-Base interactions energy: -2008.438 where: short stacking energy: -873.191 Base-Backbone interact. energy: -2.982 local terms energy: -882.308374 where: bonds (distance) C4'-P energy: -148.793 bonds (distance) P-C4' energy: -167.435 flat angles C4'-P-C4' energy: -186.428 flat angles P-C4'-P energy: -119.611 tors. eta vs tors. theta energy: -260.042 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: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2806.223016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.223016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.223016 (E_RNA) where: Base-Base interactions energy: -1975.953 where: short stacking energy: -835.353 Base-Backbone interact. energy: -0.575 local terms energy: -829.695413 where: bonds (distance) C4'-P energy: -147.045 bonds (distance) P-C4' energy: -146.540 flat angles C4'-P-C4' energy: -184.523 flat angles P-C4'-P energy: -111.368 tors. eta vs tors. theta energy: -240.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2691.272357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.272357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.272357 (E_RNA) where: Base-Base interactions energy: -1874.581 where: short stacking energy: -812.065 Base-Backbone interact. energy: -2.628 local terms energy: -814.063948 where: bonds (distance) C4'-P energy: -134.181 bonds (distance) P-C4' energy: -164.201 flat angles C4'-P-C4' energy: -179.464 flat angles P-C4'-P energy: -106.716 tors. eta vs tors. theta energy: -229.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2563.111608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.111608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.111608 (E_RNA) where: Base-Base interactions energy: -1810.876 where: short stacking energy: -775.043 Base-Backbone interact. energy: -2.136 local terms energy: -750.100354 where: bonds (distance) C4'-P energy: -130.660 bonds (distance) P-C4' energy: -130.216 flat angles C4'-P-C4' energy: -175.977 flat angles P-C4'-P energy: -91.638 tors. eta vs tors. theta energy: -221.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2462.833943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.833943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.833943 (E_RNA) where: Base-Base interactions energy: -1717.312 where: short stacking energy: -759.972 Base-Backbone interact. energy: -5.242 local terms energy: -740.280494 where: bonds (distance) C4'-P energy: -128.588 bonds (distance) P-C4' energy: -152.682 flat angles C4'-P-C4' energy: -143.943 flat angles P-C4'-P energy: -110.100 tors. eta vs tors. theta energy: -204.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1945.827143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.827143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.827143 (E_RNA) where: Base-Base interactions energy: -1270.831 where: short stacking energy: -581.504 Base-Backbone interact. energy: -1.298 local terms energy: -673.698681 where: bonds (distance) C4'-P energy: -140.650 bonds (distance) P-C4' energy: -141.234 flat angles C4'-P-C4' energy: -166.628 flat angles P-C4'-P energy: -81.231 tors. eta vs tors. theta energy: -143.955 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: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1555.888359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.888359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.888359 (E_RNA) where: Base-Base interactions energy: -988.600 where: short stacking energy: -443.676 Base-Backbone interact. energy: 0.206 local terms energy: -567.493473 where: bonds (distance) C4'-P energy: -133.770 bonds (distance) P-C4' energy: -132.124 flat angles C4'-P-C4' energy: -142.227 flat angles P-C4'-P energy: -78.331 tors. eta vs tors. theta energy: -81.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -969.655367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.655367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.655367 (E_RNA) where: Base-Base interactions energy: -548.517 where: short stacking energy: -286.520 Base-Backbone interact. energy: 4.414 local terms energy: -425.552866 where: bonds (distance) C4'-P energy: -122.480 bonds (distance) P-C4' energy: -131.362 flat angles C4'-P-C4' energy: -100.813 flat angles P-C4'-P energy: -61.601 tors. eta vs tors. theta energy: -9.297 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: 3 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3111.718249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.718249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.718249 (E_RNA) where: Base-Base interactions energy: -2168.781 where: short stacking energy: -923.766 Base-Backbone interact. energy: -1.743 local terms energy: -941.194617 where: bonds (distance) C4'-P energy: -159.153 bonds (distance) P-C4' energy: -175.074 flat angles C4'-P-C4' energy: -189.533 flat angles P-C4'-P energy: -146.391 tors. eta vs tors. theta energy: -271.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -3016.309263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.309263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.309263 (E_RNA) where: Base-Base interactions energy: -2114.389 where: short stacking energy: -902.753 Base-Backbone interact. energy: -3.674 local terms energy: -898.247014 where: bonds (distance) C4'-P energy: -151.920 bonds (distance) P-C4' energy: -148.355 flat angles C4'-P-C4' energy: -189.707 flat angles P-C4'-P energy: -138.859 tors. eta vs tors. theta energy: -269.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2933.901050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.901050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.901050 (E_RNA) where: Base-Base interactions energy: -2047.028 where: short stacking energy: -903.070 Base-Backbone interact. energy: 2.058 local terms energy: -888.931713 where: bonds (distance) C4'-P energy: -151.443 bonds (distance) P-C4' energy: -161.771 flat angles C4'-P-C4' energy: -192.376 flat angles P-C4'-P energy: -125.590 tors. eta vs tors. theta energy: -257.751 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: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2810.283931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.283931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.283931 (E_RNA) where: Base-Base interactions energy: -1954.210 where: short stacking energy: -822.133 Base-Backbone interact. energy: -2.675 local terms energy: -853.399494 where: bonds (distance) C4'-P energy: -162.403 bonds (distance) P-C4' energy: -140.983 flat angles C4'-P-C4' energy: -173.761 flat angles P-C4'-P energy: -123.810 tors. eta vs tors. theta energy: -252.444 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: 8 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2659.389608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.389608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.389608 (E_RNA) where: Base-Base interactions energy: -1844.921 where: short stacking energy: -822.146 Base-Backbone interact. energy: -2.689 local terms energy: -811.779731 where: bonds (distance) C4'-P energy: -145.156 bonds (distance) P-C4' energy: -140.082 flat angles C4'-P-C4' energy: -177.595 flat angles P-C4'-P energy: -111.182 tors. eta vs tors. theta energy: -237.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2559.628081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.628081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.628081 (E_RNA) where: Base-Base interactions energy: -1762.170 where: short stacking energy: -752.153 Base-Backbone interact. energy: 0.418 local terms energy: -797.876638 where: bonds (distance) C4'-P energy: -139.275 bonds (distance) P-C4' energy: -159.587 flat angles C4'-P-C4' energy: -188.353 flat angles P-C4'-P energy: -97.573 tors. eta vs tors. theta energy: -213.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2418.055552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.055552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.055552 (E_RNA) where: Base-Base interactions energy: -1668.464 where: short stacking energy: -738.586 Base-Backbone interact. energy: -2.603 local terms energy: -746.989340 where: bonds (distance) C4'-P energy: -142.742 bonds (distance) P-C4' energy: -151.026 flat angles C4'-P-C4' energy: -150.920 flat angles P-C4'-P energy: -103.911 tors. eta vs tors. theta energy: -198.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1921.750100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.750100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.750100 (E_RNA) where: Base-Base interactions energy: -1273.851 where: short stacking energy: -582.476 Base-Backbone interact. energy: 0.853 local terms energy: -648.752155 where: bonds (distance) C4'-P energy: -109.867 bonds (distance) P-C4' energy: -145.123 flat angles C4'-P-C4' energy: -144.687 flat angles P-C4'-P energy: -103.682 tors. eta vs tors. theta energy: -145.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1550.541635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.541635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.541635 (E_RNA) where: Base-Base interactions energy: -972.106 where: short stacking energy: -466.095 Base-Backbone interact. energy: -0.759 local terms energy: -577.675793 where: bonds (distance) C4'-P energy: -124.968 bonds (distance) P-C4' energy: -147.133 flat angles C4'-P-C4' energy: -145.604 flat angles P-C4'-P energy: -81.980 tors. eta vs tors. theta energy: -77.991 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: 9 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -946.201583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.201583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.201583 (E_RNA) where: Base-Base interactions energy: -525.299 where: short stacking energy: -292.883 Base-Backbone interact. energy: -1.793 local terms energy: -419.109581 where: bonds (distance) C4'-P energy: -124.368 bonds (distance) P-C4' energy: -128.086 flat angles C4'-P-C4' energy: -107.708 flat angles P-C4'-P energy: -34.647 tors. eta vs tors. theta energy: -24.300 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: 3 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3096.713445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.713445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.713445 (E_RNA) where: Base-Base interactions energy: -2148.555 where: short stacking energy: -929.755 Base-Backbone interact. energy: -5.121 local terms energy: -943.037570 where: bonds (distance) C4'-P energy: -152.317 bonds (distance) P-C4' energy: -185.552 flat angles C4'-P-C4' energy: -199.503 flat angles P-C4'-P energy: -142.697 tors. eta vs tors. theta energy: -262.969 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: 2, replica: 4 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2968.263074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.263074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.263074 (E_RNA) where: Base-Base interactions energy: -2078.927 where: short stacking energy: -895.139 Base-Backbone interact. energy: -3.245 local terms energy: -886.090899 where: bonds (distance) C4'-P energy: -137.369 bonds (distance) P-C4' energy: -171.078 flat angles C4'-P-C4' energy: -190.719 flat angles P-C4'-P energy: -117.531 tors. eta vs tors. theta energy: -269.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2949.455032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.455032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.455032 (E_RNA) where: Base-Base interactions energy: -2068.272 where: short stacking energy: -917.200 Base-Backbone interact. energy: -3.352 local terms energy: -877.831869 where: bonds (distance) C4'-P energy: -133.569 bonds (distance) P-C4' energy: -141.613 flat angles C4'-P-C4' energy: -195.977 flat angles P-C4'-P energy: -131.550 tors. eta vs tors. theta energy: -275.123 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: 7 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2793.005715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.005715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.005715 (E_RNA) where: Base-Base interactions energy: -1967.730 where: short stacking energy: -859.292 Base-Backbone interact. energy: 6.233 local terms energy: -831.508313 where: bonds (distance) C4'-P energy: -132.001 bonds (distance) P-C4' energy: -162.682 flat angles C4'-P-C4' energy: -171.776 flat angles P-C4'-P energy: -120.613 tors. eta vs tors. theta energy: -244.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2688.083436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.083436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.083436 (E_RNA) where: Base-Base interactions energy: -1886.488 where: short stacking energy: -817.529 Base-Backbone interact. energy: -3.806 local terms energy: -797.788749 where: bonds (distance) C4'-P energy: -138.612 bonds (distance) P-C4' energy: -152.348 flat angles C4'-P-C4' energy: -169.193 flat angles P-C4'-P energy: -94.194 tors. eta vs tors. theta energy: -243.441 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: 6, replica: 2 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2601.410082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.410082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.410082 (E_RNA) where: Base-Base interactions energy: -1805.634 where: short stacking energy: -809.994 Base-Backbone interact. energy: 1.025 local terms energy: -796.800194 where: bonds (distance) C4'-P energy: -121.811 bonds (distance) P-C4' energy: -142.688 flat angles C4'-P-C4' energy: -174.915 flat angles P-C4'-P energy: -113.131 tors. eta vs tors. theta energy: -244.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2469.982946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.982946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.982946 (E_RNA) where: Base-Base interactions energy: -1733.064 where: short stacking energy: -731.564 Base-Backbone interact. energy: -3.321 local terms energy: -733.598040 where: bonds (distance) C4'-P energy: -142.292 bonds (distance) P-C4' energy: -139.519 flat angles C4'-P-C4' energy: -161.745 flat angles P-C4'-P energy: -96.256 tors. eta vs tors. theta energy: -193.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1907.538078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.538078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.538078 (E_RNA) where: Base-Base interactions energy: -1258.715 where: short stacking energy: -554.392 Base-Backbone interact. energy: 9.413 local terms energy: -658.236293 where: bonds (distance) C4'-P energy: -118.904 bonds (distance) P-C4' energy: -157.638 flat angles C4'-P-C4' energy: -136.763 flat angles P-C4'-P energy: -89.770 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: 9, replica: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1546.004491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.004491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.004491 (E_RNA) where: Base-Base interactions energy: -977.153 where: short stacking energy: -431.359 Base-Backbone interact. energy: 0.283 local terms energy: -569.134237 where: bonds (distance) C4'-P energy: -125.891 bonds (distance) P-C4' energy: -155.537 flat angles C4'-P-C4' energy: -128.370 flat angles P-C4'-P energy: -84.475 tors. eta vs tors. theta energy: -74.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1059.616316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.616316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.616316 (E_RNA) where: Base-Base interactions energy: -544.173 where: short stacking energy: -280.344 Base-Backbone interact. energy: -0.677 local terms energy: -514.765613 where: bonds (distance) C4'-P energy: -137.108 bonds (distance) P-C4' energy: -163.246 flat angles C4'-P-C4' energy: -124.911 flat angles P-C4'-P energy: -79.865 tors. eta vs tors. theta energy: -9.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3116.588533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.588533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.588533 (E_RNA) where: Base-Base interactions energy: -2187.586 where: short stacking energy: -910.047 Base-Backbone interact. energy: -1.316 local terms energy: -927.686925 where: bonds (distance) C4'-P energy: -171.495 bonds (distance) P-C4' energy: -169.434 flat angles C4'-P-C4' energy: -197.783 flat angles P-C4'-P energy: -127.828 tors. eta vs tors. theta energy: -261.147 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: 4 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -2941.754008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.754008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.754008 (E_RNA) where: Base-Base interactions energy: -2053.296 where: short stacking energy: -900.028 Base-Backbone interact. energy: -2.062 local terms energy: -886.395620 where: bonds (distance) C4'-P energy: -159.066 bonds (distance) P-C4' energy: -159.756 flat angles C4'-P-C4' energy: -194.073 flat angles P-C4'-P energy: -122.825 tors. eta vs tors. theta energy: -250.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2946.371733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.371733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.371733 (E_RNA) where: Base-Base interactions energy: -2040.208 where: short stacking energy: -886.893 Base-Backbone interact. energy: -2.557 local terms energy: -903.606733 where: bonds (distance) C4'-P energy: -154.636 bonds (distance) P-C4' energy: -147.162 flat angles C4'-P-C4' energy: -196.598 flat angles P-C4'-P energy: -133.770 tors. eta vs tors. theta energy: -271.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2782.138097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.138097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.138097 (E_RNA) where: Base-Base interactions energy: -1943.124 where: short stacking energy: -842.233 Base-Backbone interact. energy: 5.985 local terms energy: -844.998605 where: bonds (distance) C4'-P energy: -139.809 bonds (distance) P-C4' energy: -165.617 flat angles C4'-P-C4' energy: -181.786 flat angles P-C4'-P energy: -113.391 tors. eta vs tors. theta energy: -244.396 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: 8 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2750.435172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.435172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.435172 (E_RNA) where: Base-Base interactions energy: -1923.469 where: short stacking energy: -847.790 Base-Backbone interact. energy: -0.920 local terms energy: -826.045687 where: bonds (distance) C4'-P energy: -156.314 bonds (distance) P-C4' energy: -147.403 flat angles C4'-P-C4' energy: -173.442 flat angles P-C4'-P energy: -106.752 tors. eta vs tors. theta energy: -242.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2618.497033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.497033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.497033 (E_RNA) where: Base-Base interactions energy: -1791.302 where: short stacking energy: -777.822 Base-Backbone interact. energy: 2.248 local terms energy: -829.442859 where: bonds (distance) C4'-P energy: -151.891 bonds (distance) P-C4' energy: -158.529 flat angles C4'-P-C4' energy: -171.066 flat angles P-C4'-P energy: -106.015 tors. eta vs tors. theta energy: -241.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2474.573901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.573901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.573901 (E_RNA) where: Base-Base interactions energy: -1728.220 where: short stacking energy: -738.257 Base-Backbone interact. energy: -2.213 local terms energy: -744.140190 where: bonds (distance) C4'-P energy: -135.692 bonds (distance) P-C4' energy: -132.516 flat angles C4'-P-C4' energy: -147.653 flat angles P-C4'-P energy: -112.380 tors. eta vs tors. theta energy: -215.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1962.133711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.133711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.133711 (E_RNA) where: Base-Base interactions energy: -1340.342 where: short stacking energy: -613.249 Base-Backbone interact. energy: 4.482 local terms energy: -626.274064 where: bonds (distance) C4'-P energy: -131.982 bonds (distance) P-C4' energy: -127.594 flat angles C4'-P-C4' energy: -141.760 flat angles P-C4'-P energy: -86.014 tors. eta vs tors. theta energy: -138.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1501.505307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.505307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.505307 (E_RNA) where: Base-Base interactions energy: -928.872 where: short stacking energy: -433.142 Base-Backbone interact. energy: -3.439 local terms energy: -569.194871 where: bonds (distance) C4'-P energy: -126.348 bonds (distance) P-C4' energy: -136.300 flat angles C4'-P-C4' energy: -134.159 flat angles P-C4'-P energy: -95.701 tors. eta vs tors. theta energy: -76.686 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: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -984.163683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.163683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.163683 (E_RNA) where: Base-Base interactions energy: -535.760 where: short stacking energy: -290.776 Base-Backbone interact. energy: -3.535 local terms energy: -444.868922 where: bonds (distance) C4'-P energy: -141.502 bonds (distance) P-C4' energy: -99.002 flat angles C4'-P-C4' energy: -125.206 flat angles P-C4'-P energy: -70.267 tors. eta vs tors. theta energy: -8.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3111.606602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.606602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.606602 (E_RNA) where: Base-Base interactions energy: -2193.421 where: short stacking energy: -940.516 Base-Backbone interact. energy: -1.154 local terms energy: -917.031607 where: bonds (distance) C4'-P energy: -149.612 bonds (distance) P-C4' energy: -177.796 flat angles C4'-P-C4' energy: -196.339 flat angles P-C4'-P energy: -132.141 tors. eta vs tors. theta energy: -261.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2959.596081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.596081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.596081 (E_RNA) where: Base-Base interactions energy: -2049.256 where: short stacking energy: -898.680 Base-Backbone interact. energy: -2.651 local terms energy: -907.688573 where: bonds (distance) C4'-P energy: -165.073 bonds (distance) P-C4' energy: -173.048 flat angles C4'-P-C4' energy: -180.291 flat angles P-C4'-P energy: -131.420 tors. eta vs tors. theta energy: -257.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2956.346225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.346225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.346225 (E_RNA) where: Base-Base interactions energy: -2044.312 where: short stacking energy: -881.570 Base-Backbone interact. energy: -4.614 local terms energy: -907.420847 where: bonds (distance) C4'-P energy: -173.847 bonds (distance) P-C4' energy: -153.740 flat angles C4'-P-C4' energy: -184.064 flat angles P-C4'-P energy: -130.578 tors. eta vs tors. theta energy: -265.191 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: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2847.621545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.621545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.621545 (E_RNA) where: Base-Base interactions energy: -1998.536 where: short stacking energy: -864.270 Base-Backbone interact. energy: -1.520 local terms energy: -847.565583 where: bonds (distance) C4'-P energy: -149.827 bonds (distance) P-C4' energy: -150.280 flat angles C4'-P-C4' energy: -186.464 flat angles P-C4'-P energy: -108.823 tors. eta vs tors. theta energy: -252.172 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: 8 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2684.793928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.793928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.793928 (E_RNA) where: Base-Base interactions energy: -1907.193 where: short stacking energy: -822.370 Base-Backbone interact. energy: -1.333 local terms energy: -776.267359 where: bonds (distance) C4'-P energy: -138.377 bonds (distance) P-C4' energy: -137.453 flat angles C4'-P-C4' energy: -157.127 flat angles P-C4'-P energy: -107.632 tors. eta vs tors. theta energy: -235.678 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: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2631.206945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.206945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.206945 (E_RNA) where: Base-Base interactions energy: -1824.376 where: short stacking energy: -816.453 Base-Backbone interact. energy: 0.266 local terms energy: -807.096871 where: bonds (distance) C4'-P energy: -140.011 bonds (distance) P-C4' energy: -148.413 flat angles C4'-P-C4' energy: -173.211 flat angles P-C4'-P energy: -102.467 tors. eta vs tors. theta energy: -242.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2467.090667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.090667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.090667 (E_RNA) where: Base-Base interactions energy: -1717.230 where: short stacking energy: -741.931 Base-Backbone interact. energy: 4.274 local terms energy: -754.134345 where: bonds (distance) C4'-P energy: -137.058 bonds (distance) P-C4' energy: -146.614 flat angles C4'-P-C4' energy: -161.588 flat angles P-C4'-P energy: -105.671 tors. eta vs tors. theta energy: -203.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1895.858760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.858760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.858760 (E_RNA) where: Base-Base interactions energy: -1278.991 where: short stacking energy: -575.730 Base-Backbone interact. energy: 3.863 local terms energy: -620.731010 where: bonds (distance) C4'-P energy: -131.764 bonds (distance) P-C4' energy: -130.035 flat angles C4'-P-C4' energy: -125.638 flat angles P-C4'-P energy: -93.184 tors. eta vs tors. theta energy: -140.110 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: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1473.394839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.394839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.394839 (E_RNA) where: Base-Base interactions energy: -901.872 where: short stacking energy: -453.988 Base-Backbone interact. energy: -1.829 local terms energy: -569.693400 where: bonds (distance) C4'-P energy: -128.393 bonds (distance) P-C4' energy: -130.572 flat angles C4'-P-C4' energy: -151.397 flat angles P-C4'-P energy: -74.861 tors. eta vs tors. theta energy: -84.470 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: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -990.624634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.624634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.624634 (E_RNA) where: Base-Base interactions energy: -532.176 where: short stacking energy: -292.506 Base-Backbone interact. energy: -0.974 local terms energy: -457.474151 where: bonds (distance) C4'-P energy: -115.897 bonds (distance) P-C4' energy: -139.342 flat angles C4'-P-C4' energy: -119.859 flat angles P-C4'-P energy: -69.712 tors. eta vs tors. theta energy: -12.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3110.173578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.173578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.173578 (E_RNA) where: Base-Base interactions energy: -2186.757 where: short stacking energy: -919.388 Base-Backbone interact. energy: -1.393 local terms energy: -922.022990 where: bonds (distance) C4'-P energy: -168.077 bonds (distance) P-C4' energy: -176.166 flat angles C4'-P-C4' energy: -190.253 flat angles P-C4'-P energy: -130.038 tors. eta vs tors. theta energy: -257.489 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: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2978.527886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.527886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.527886 (E_RNA) where: Base-Base interactions energy: -2094.423 where: short stacking energy: -914.074 Base-Backbone interact. energy: -4.852 local terms energy: -879.252469 where: bonds (distance) C4'-P energy: -175.417 bonds (distance) P-C4' energy: -131.393 flat angles C4'-P-C4' energy: -193.676 flat angles P-C4'-P energy: -119.616 tors. eta vs tors. theta energy: -259.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2946.262531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.262531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.262531 (E_RNA) where: Base-Base interactions energy: -2066.265 where: short stacking energy: -911.125 Base-Backbone interact. energy: -0.495 local terms energy: -879.501801 where: bonds (distance) C4'-P energy: -157.545 bonds (distance) P-C4' energy: -145.818 flat angles C4'-P-C4' energy: -189.694 flat angles P-C4'-P energy: -122.805 tors. eta vs tors. theta energy: -263.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2796.230494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.230494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.230494 (E_RNA) where: Base-Base interactions energy: -1959.452 where: short stacking energy: -841.055 Base-Backbone interact. energy: 2.666 local terms energy: -839.443606 where: bonds (distance) C4'-P energy: -155.639 bonds (distance) P-C4' energy: -145.336 flat angles C4'-P-C4' energy: -175.991 flat angles P-C4'-P energy: -122.387 tors. eta vs tors. theta energy: -240.090 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: 5, replica: 8 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2743.224039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.224039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.224039 (E_RNA) where: Base-Base interactions energy: -1914.145 where: short stacking energy: -848.718 Base-Backbone interact. energy: -3.834 local terms energy: -825.244851 where: bonds (distance) C4'-P energy: -148.130 bonds (distance) P-C4' energy: -155.415 flat angles C4'-P-C4' energy: -174.481 flat angles P-C4'-P energy: -115.585 tors. eta vs tors. theta energy: -231.634 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: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2669.075658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.075658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.075658 (E_RNA) where: Base-Base interactions energy: -1834.044 where: short stacking energy: -827.027 Base-Backbone interact. energy: -1.877 local terms energy: -833.154034 where: bonds (distance) C4'-P energy: -141.350 bonds (distance) P-C4' energy: -149.846 flat angles C4'-P-C4' energy: -178.699 flat angles P-C4'-P energy: -114.786 tors. eta vs tors. theta energy: -248.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2436.299947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.299947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.299947 (E_RNA) where: Base-Base interactions energy: -1703.436 where: short stacking energy: -749.338 Base-Backbone interact. energy: -0.375 local terms energy: -732.489294 where: bonds (distance) C4'-P energy: -134.515 bonds (distance) P-C4' energy: -119.878 flat angles C4'-P-C4' energy: -164.344 flat angles P-C4'-P energy: -103.269 tors. eta vs tors. theta energy: -210.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1916.546083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.546083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.546083 (E_RNA) where: Base-Base interactions energy: -1279.152 where: short stacking energy: -561.479 Base-Backbone interact. energy: -0.774 local terms energy: -636.619603 where: bonds (distance) C4'-P energy: -121.419 bonds (distance) P-C4' energy: -142.766 flat angles C4'-P-C4' energy: -148.705 flat angles P-C4'-P energy: -94.376 tors. eta vs tors. theta energy: -129.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1509.188344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.188344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.188344 (E_RNA) where: Base-Base interactions energy: -949.855 where: short stacking energy: -433.284 Base-Backbone interact. energy: -1.674 local terms energy: -557.659870 where: bonds (distance) C4'-P energy: -122.299 bonds (distance) P-C4' energy: -133.350 flat angles C4'-P-C4' energy: -144.008 flat angles P-C4'-P energy: -71.465 tors. eta vs tors. theta energy: -86.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1091.480403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.480403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.480403 (E_RNA) where: Base-Base interactions energy: -638.921 where: short stacking energy: -310.987 Base-Backbone interact. energy: 7.739 local terms energy: -460.298808 where: bonds (distance) C4'-P energy: -139.057 bonds (distance) P-C4' energy: -135.094 flat angles C4'-P-C4' energy: -119.533 flat angles P-C4'-P energy: -64.093 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3125.031672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.031672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.031672 (E_RNA) where: Base-Base interactions energy: -2192.073 where: short stacking energy: -932.286 Base-Backbone interact. energy: -2.661 local terms energy: -930.297615 where: bonds (distance) C4'-P energy: -185.108 bonds (distance) P-C4' energy: -163.957 flat angles C4'-P-C4' energy: -194.083 flat angles P-C4'-P energy: -134.320 tors. eta vs tors. theta energy: -252.830 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: 4 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2969.847371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.847371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.847371 (E_RNA) where: Base-Base interactions energy: -2050.919 where: short stacking energy: -889.480 Base-Backbone interact. energy: 0.183 local terms energy: -919.111256 where: bonds (distance) C4'-P energy: -160.864 bonds (distance) P-C4' energy: -160.275 flat angles C4'-P-C4' energy: -186.675 flat angles P-C4'-P energy: -140.372 tors. eta vs tors. theta energy: -270.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2925.310213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.310213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.310213 (E_RNA) where: Base-Base interactions energy: -2053.475 where: short stacking energy: -891.893 Base-Backbone interact. energy: -4.423 local terms energy: -867.412351 where: bonds (distance) C4'-P energy: -148.611 bonds (distance) P-C4' energy: -147.414 flat angles C4'-P-C4' energy: -191.371 flat angles P-C4'-P energy: -114.418 tors. eta vs tors. theta energy: -265.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2839.141089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.141089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.141089 (E_RNA) where: Base-Base interactions energy: -1986.917 where: short stacking energy: -882.091 Base-Backbone interact. energy: 2.294 local terms energy: -854.518447 where: bonds (distance) C4'-P energy: -137.159 bonds (distance) P-C4' energy: -169.878 flat angles C4'-P-C4' energy: -182.552 flat angles P-C4'-P energy: -115.806 tors. eta vs tors. theta energy: -249.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2717.558452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.558452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.558452 (E_RNA) where: Base-Base interactions energy: -1923.115 where: short stacking energy: -839.470 Base-Backbone interact. energy: 1.779 local terms energy: -796.221601 where: bonds (distance) C4'-P energy: -122.711 bonds (distance) P-C4' energy: -159.446 flat angles C4'-P-C4' energy: -169.138 flat angles P-C4'-P energy: -110.633 tors. eta vs tors. theta energy: -234.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2623.680709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.680709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.680709 (E_RNA) where: Base-Base interactions energy: -1850.532 where: short stacking energy: -838.858 Base-Backbone interact. energy: 1.865 local terms energy: -775.014062 where: bonds (distance) C4'-P energy: -119.204 bonds (distance) P-C4' energy: -125.743 flat angles C4'-P-C4' energy: -175.119 flat angles P-C4'-P energy: -116.211 tors. eta vs tors. theta energy: -238.737 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: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2453.874595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.874595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.874595 (E_RNA) where: Base-Base interactions energy: -1703.916 where: short stacking energy: -730.285 Base-Backbone interact. energy: 1.645 local terms energy: -751.602971 where: bonds (distance) C4'-P energy: -119.538 bonds (distance) P-C4' energy: -156.923 flat angles C4'-P-C4' energy: -175.098 flat angles P-C4'-P energy: -97.244 tors. eta vs tors. theta energy: -202.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1900.198682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.198682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.198682 (E_RNA) where: Base-Base interactions energy: -1248.231 where: short stacking energy: -546.642 Base-Backbone interact. energy: -1.643 local terms energy: -650.324759 where: bonds (distance) C4'-P energy: -125.196 bonds (distance) P-C4' energy: -143.963 flat angles C4'-P-C4' energy: -161.571 flat angles P-C4'-P energy: -99.520 tors. eta vs tors. theta energy: -120.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1551.579016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.579016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.579016 (E_RNA) where: Base-Base interactions energy: -993.651 where: short stacking energy: -445.072 Base-Backbone interact. energy: 2.486 local terms energy: -560.413782 where: bonds (distance) C4'-P energy: -127.329 bonds (distance) P-C4' energy: -140.370 flat angles C4'-P-C4' energy: -126.131 flat angles P-C4'-P energy: -95.072 tors. eta vs tors. theta energy: -71.511 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: 9 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1156.218046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.218046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.218046 (E_RNA) where: Base-Base interactions energy: -691.967 where: short stacking energy: -357.049 Base-Backbone interact. energy: 7.290 local terms energy: -471.540405 where: bonds (distance) C4'-P energy: -123.420 bonds (distance) P-C4' energy: -130.837 flat angles C4'-P-C4' energy: -103.118 flat angles P-C4'-P energy: -68.508 tors. eta vs tors. theta energy: -45.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3084.344642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.344642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.344642 (E_RNA) where: Base-Base interactions energy: -2160.219 where: short stacking energy: -928.371 Base-Backbone interact. energy: -6.854 local terms energy: -917.272199 where: bonds (distance) C4'-P energy: -163.137 bonds (distance) P-C4' energy: -166.543 flat angles C4'-P-C4' energy: -195.016 flat angles P-C4'-P energy: -132.452 tors. eta vs tors. theta energy: -260.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2974.430551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.430551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.430551 (E_RNA) where: Base-Base interactions energy: -2044.762 where: short stacking energy: -893.330 Base-Backbone interact. energy: -5.344 local terms energy: -924.324741 where: bonds (distance) C4'-P energy: -159.518 bonds (distance) P-C4' energy: -172.912 flat angles C4'-P-C4' energy: -198.745 flat angles P-C4'-P energy: -134.859 tors. eta vs tors. theta energy: -258.291 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: 5 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -3001.883247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.883247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.883247 (E_RNA) where: Base-Base interactions energy: -2095.716 where: short stacking energy: -918.924 Base-Backbone interact. energy: 0.486 local terms energy: -906.653065 where: bonds (distance) C4'-P energy: -145.510 bonds (distance) P-C4' energy: -169.963 flat angles C4'-P-C4' energy: -179.139 flat angles P-C4'-P energy: -134.366 tors. eta vs tors. theta energy: -277.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2800.487088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.487088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.487088 (E_RNA) where: Base-Base interactions energy: -1966.718 where: short stacking energy: -854.324 Base-Backbone interact. energy: -3.727 local terms energy: -830.042682 where: bonds (distance) C4'-P energy: -137.038 bonds (distance) P-C4' energy: -148.661 flat angles C4'-P-C4' energy: -188.769 flat angles P-C4'-P energy: -117.183 tors. eta vs tors. theta energy: -238.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2719.662893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.662893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.662893 (E_RNA) where: Base-Base interactions energy: -1934.086 where: short stacking energy: -821.957 Base-Backbone interact. energy: -2.349 local terms energy: -783.227671 where: bonds (distance) C4'-P energy: -140.646 bonds (distance) P-C4' energy: -131.041 flat angles C4'-P-C4' energy: -162.995 flat angles P-C4'-P energy: -107.045 tors. eta vs tors. theta energy: -241.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2599.023243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.023243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.023243 (E_RNA) where: Base-Base interactions energy: -1815.703 where: short stacking energy: -795.923 Base-Backbone interact. energy: -3.489 local terms energy: -779.831759 where: bonds (distance) C4'-P energy: -117.972 bonds (distance) P-C4' energy: -130.710 flat angles C4'-P-C4' energy: -175.189 flat angles P-C4'-P energy: -112.647 tors. eta vs tors. theta energy: -243.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2448.930802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.930802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.930802 (E_RNA) where: Base-Base interactions energy: -1664.637 where: short stacking energy: -737.731 Base-Backbone interact. energy: -2.812 local terms energy: -781.481357 where: bonds (distance) C4'-P energy: -143.273 bonds (distance) P-C4' energy: -147.169 flat angles C4'-P-C4' energy: -158.212 flat angles P-C4'-P energy: -115.990 tors. eta vs tors. theta energy: -216.837 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: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1940.569339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.569339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.569339 (E_RNA) where: Base-Base interactions energy: -1263.530 where: short stacking energy: -599.869 Base-Backbone interact. energy: -4.491 local terms energy: -672.548395 where: bonds (distance) C4'-P energy: -136.312 bonds (distance) P-C4' energy: -144.923 flat angles C4'-P-C4' energy: -153.047 flat angles P-C4'-P energy: -100.141 tors. eta vs tors. theta energy: -138.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1515.180590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.180590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.180590 (E_RNA) where: Base-Base interactions energy: -981.590 where: short stacking energy: -451.101 Base-Backbone interact. energy: 0.613 local terms energy: -534.203516 where: bonds (distance) C4'-P energy: -121.263 bonds (distance) P-C4' energy: -151.760 flat angles C4'-P-C4' energy: -121.697 flat angles P-C4'-P energy: -67.588 tors. eta vs tors. theta energy: -71.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1065.867959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.867959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.867959 (E_RNA) where: Base-Base interactions energy: -588.546 where: short stacking energy: -328.606 Base-Backbone interact. energy: -1.004 local terms energy: -476.317852 where: bonds (distance) C4'-P energy: -113.562 bonds (distance) P-C4' energy: -137.080 flat angles C4'-P-C4' energy: -146.067 flat angles P-C4'-P energy: -58.677 tors. eta vs tors. theta energy: -20.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3106.904445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.904445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.904445 (E_RNA) where: Base-Base interactions energy: -2186.676 where: short stacking energy: -928.749 Base-Backbone interact. energy: 1.918 local terms energy: -922.146807 where: bonds (distance) C4'-P energy: -176.769 bonds (distance) P-C4' energy: -154.835 flat angles C4'-P-C4' energy: -199.514 flat angles P-C4'-P energy: -123.740 tors. eta vs tors. theta energy: -267.289 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: 4 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2965.553287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.553287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.553287 (E_RNA) where: Base-Base interactions energy: -2048.993 where: short stacking energy: -869.233 Base-Backbone interact. energy: -3.847 local terms energy: -912.713312 where: bonds (distance) C4'-P energy: -160.037 bonds (distance) P-C4' energy: -158.793 flat angles C4'-P-C4' energy: -194.544 flat angles P-C4'-P energy: -132.915 tors. eta vs tors. theta energy: -266.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2923.487189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.487189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.487189 (E_RNA) where: Base-Base interactions energy: -2059.622 where: short stacking energy: -918.790 Base-Backbone interact. energy: -3.376 local terms energy: -860.488848 where: bonds (distance) C4'-P energy: -134.992 bonds (distance) P-C4' energy: -156.609 flat angles C4'-P-C4' energy: -186.820 flat angles P-C4'-P energy: -122.196 tors. eta vs tors. theta energy: -259.871 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: 399 Temperature: 1.050000 Total energy: -2784.945034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.945034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.945034 (E_RNA) where: Base-Base interactions energy: -1953.256 where: short stacking energy: -851.257 Base-Backbone interact. energy: -5.165 local terms energy: -826.523585 where: bonds (distance) C4'-P energy: -145.524 bonds (distance) P-C4' energy: -150.122 flat angles C4'-P-C4' energy: -168.773 flat angles P-C4'-P energy: -117.760 tors. eta vs tors. theta energy: -244.344 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: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2755.727472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.727472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.727472 (E_RNA) where: Base-Base interactions energy: -1908.038 where: short stacking energy: -835.195 Base-Backbone interact. energy: -0.243 local terms energy: -847.446796 where: bonds (distance) C4'-P energy: -151.069 bonds (distance) P-C4' energy: -160.081 flat angles C4'-P-C4' energy: -179.524 flat angles P-C4'-P energy: -123.739 tors. eta vs tors. theta energy: -233.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2620.631338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.631338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.631338 (E_RNA) where: Base-Base interactions energy: -1799.938 where: short stacking energy: -789.867 Base-Backbone interact. energy: -2.672 local terms energy: -818.020486 where: bonds (distance) C4'-P energy: -137.485 bonds (distance) P-C4' energy: -158.842 flat angles C4'-P-C4' energy: -175.263 flat angles P-C4'-P energy: -117.964 tors. eta vs tors. theta energy: -228.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2501.064562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.064562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.064562 (E_RNA) where: Base-Base interactions energy: -1766.888 where: short stacking energy: -769.930 Base-Backbone interact. energy: -3.926 local terms energy: -730.251439 where: bonds (distance) C4'-P energy: -141.714 bonds (distance) P-C4' energy: -131.285 flat angles C4'-P-C4' energy: -144.629 flat angles P-C4'-P energy: -96.371 tors. eta vs tors. theta energy: -216.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1943.758667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.758667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.758667 (E_RNA) where: Base-Base interactions energy: -1267.398 where: short stacking energy: -597.360 Base-Backbone interact. energy: 0.028 local terms energy: -676.388467 where: bonds (distance) C4'-P energy: -131.458 bonds (distance) P-C4' energy: -151.870 flat angles C4'-P-C4' energy: -156.746 flat angles P-C4'-P energy: -103.235 tors. eta vs tors. theta energy: -133.079 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: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1666.261192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.261192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.261192 (E_RNA) where: Base-Base interactions energy: -1098.840 where: short stacking energy: -497.080 Base-Backbone interact. energy: 3.191 local terms energy: -570.612270 where: bonds (distance) C4'-P energy: -121.812 bonds (distance) P-C4' energy: -134.146 flat angles C4'-P-C4' energy: -135.055 flat angles P-C4'-P energy: -82.681 tors. eta vs tors. theta energy: -96.919 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: 9 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1114.622525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.622525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.622525 (E_RNA) where: Base-Base interactions energy: -640.110 where: short stacking energy: -320.790 Base-Backbone interact. energy: 1.865 local terms energy: -476.377930 where: bonds (distance) C4'-P energy: -111.334 bonds (distance) P-C4' energy: -144.737 flat angles C4'-P-C4' energy: -107.076 flat angles P-C4'-P energy: -97.772 tors. eta vs tors. theta energy: -15.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3092.084294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.084294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.084294 (E_RNA) where: Base-Base interactions energy: -2170.269 where: short stacking energy: -926.199 Base-Backbone interact. energy: 5.835 local terms energy: -927.650296 where: bonds (distance) C4'-P energy: -173.242 bonds (distance) P-C4' energy: -173.466 flat angles C4'-P-C4' energy: -189.149 flat angles P-C4'-P energy: -128.989 tors. eta vs tors. theta energy: -262.804 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: 4 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2964.609807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.609807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.609807 (E_RNA) where: Base-Base interactions energy: -2059.337 where: short stacking energy: -915.806 Base-Backbone interact. energy: 3.478 local terms energy: -908.750572 where: bonds (distance) C4'-P energy: -157.933 bonds (distance) P-C4' energy: -155.056 flat angles C4'-P-C4' energy: -198.545 flat angles P-C4'-P energy: -127.012 tors. eta vs tors. theta energy: -270.205 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: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2927.021100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.021100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.021100 (E_RNA) where: Base-Base interactions energy: -2026.435 where: short stacking energy: -900.351 Base-Backbone interact. energy: -2.237 local terms energy: -898.348992 where: bonds (distance) C4'-P energy: -156.950 bonds (distance) P-C4' energy: -161.792 flat angles C4'-P-C4' energy: -193.873 flat angles P-C4'-P energy: -109.606 tors. eta vs tors. theta energy: -276.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2779.217546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.217546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.217546 (E_RNA) where: Base-Base interactions energy: -1956.219 where: short stacking energy: -843.190 Base-Backbone interact. energy: -5.397 local terms energy: -817.601543 where: bonds (distance) C4'-P energy: -132.134 bonds (distance) P-C4' energy: -154.167 flat angles C4'-P-C4' energy: -169.558 flat angles P-C4'-P energy: -120.144 tors. eta vs tors. theta energy: -241.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2709.529378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.529378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.529378 (E_RNA) where: Base-Base interactions energy: -1863.127 where: short stacking energy: -805.080 Base-Backbone interact. energy: -3.601 local terms energy: -842.801175 where: bonds (distance) C4'-P energy: -148.837 bonds (distance) P-C4' energy: -160.011 flat angles C4'-P-C4' energy: -167.927 flat angles P-C4'-P energy: -137.506 tors. eta vs tors. theta energy: -228.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2644.955199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.955199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.955199 (E_RNA) where: Base-Base interactions energy: -1831.671 where: short stacking energy: -814.376 Base-Backbone interact. energy: -0.935 local terms energy: -812.348827 where: bonds (distance) C4'-P energy: -128.720 bonds (distance) P-C4' energy: -135.825 flat angles C4'-P-C4' energy: -169.964 flat angles P-C4'-P energy: -127.379 tors. eta vs tors. theta energy: -250.462 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: 400 Temperature: 1.200000 Total energy: -2515.809025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.809025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.809025 (E_RNA) where: Base-Base interactions energy: -1770.890 where: short stacking energy: -749.645 Base-Backbone interact. energy: 0.441 local terms energy: -745.359963 where: bonds (distance) C4'-P energy: -144.776 bonds (distance) P-C4' energy: -119.877 flat angles C4'-P-C4' energy: -159.679 flat angles P-C4'-P energy: -105.317 tors. eta vs tors. theta energy: -215.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1956.916313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.916313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.916313 (E_RNA) where: Base-Base interactions energy: -1313.369 where: short stacking energy: -591.716 Base-Backbone interact. energy: -1.355 local terms energy: -642.191887 where: bonds (distance) C4'-P energy: -144.075 bonds (distance) P-C4' energy: -142.879 flat angles C4'-P-C4' energy: -132.226 flat angles P-C4'-P energy: -83.664 tors. eta vs tors. theta energy: -139.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1687.462212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.462212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.462212 (E_RNA) where: Base-Base interactions energy: -1107.372 where: short stacking energy: -489.073 Base-Backbone interact. energy: 2.277 local terms energy: -582.366708 where: bonds (distance) C4'-P energy: -123.282 bonds (distance) P-C4' energy: -155.004 flat angles C4'-P-C4' energy: -127.933 flat angles P-C4'-P energy: -82.907 tors. eta vs tors. theta energy: -93.241 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: 9 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1096.514525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.514525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.514525 (E_RNA) where: Base-Base interactions energy: -623.917 where: short stacking energy: -344.315 Base-Backbone interact. energy: 2.075 local terms energy: -474.672651 where: bonds (distance) C4'-P energy: -124.448 bonds (distance) P-C4' energy: -129.955 flat angles C4'-P-C4' energy: -102.322 flat angles P-C4'-P energy: -81.323 tors. eta vs tors. theta energy: -36.625 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: 3 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3105.788861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.788861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.788861 (E_RNA) where: Base-Base interactions energy: -2184.317 where: short stacking energy: -925.009 Base-Backbone interact. energy: -2.703 local terms energy: -918.768240 where: bonds (distance) C4'-P energy: -161.691 bonds (distance) P-C4' energy: -167.303 flat angles C4'-P-C4' energy: -191.780 flat angles P-C4'-P energy: -127.745 tors. eta vs tors. theta energy: -270.250 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: 4 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -2984.409230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.409230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.409230 (E_RNA) where: Base-Base interactions energy: -2072.703 where: short stacking energy: -890.484 Base-Backbone interact. energy: -4.890 local terms energy: -906.816689 where: bonds (distance) C4'-P energy: -156.141 bonds (distance) P-C4' energy: -155.273 flat angles C4'-P-C4' energy: -200.263 flat angles P-C4'-P energy: -121.890 tors. eta vs tors. theta energy: -273.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -2946.266119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.266119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.266119 (E_RNA) where: Base-Base interactions energy: -2073.844 where: short stacking energy: -899.156 Base-Backbone interact. energy: 2.202 local terms energy: -874.624290 where: bonds (distance) C4'-P energy: -143.491 bonds (distance) P-C4' energy: -157.841 flat angles C4'-P-C4' energy: -186.152 flat angles P-C4'-P energy: -125.127 tors. eta vs tors. theta energy: -262.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2789.350916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.350916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.350916 (E_RNA) where: Base-Base interactions energy: -1972.407 where: short stacking energy: -849.826 Base-Backbone interact. energy: 0.746 local terms energy: -817.690411 where: bonds (distance) C4'-P energy: -130.197 bonds (distance) P-C4' energy: -157.546 flat angles C4'-P-C4' energy: -178.017 flat angles P-C4'-P energy: -105.153 tors. eta vs tors. theta energy: -246.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2713.419869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.419869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.419869 (E_RNA) where: Base-Base interactions energy: -1904.355 where: short stacking energy: -831.248 Base-Backbone interact. energy: -4.213 local terms energy: -804.851773 where: bonds (distance) C4'-P energy: -147.662 bonds (distance) P-C4' energy: -137.651 flat angles C4'-P-C4' energy: -163.529 flat angles P-C4'-P energy: -120.028 tors. eta vs tors. theta energy: -235.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2677.186230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.186230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.186230 (E_RNA) where: Base-Base interactions energy: -1832.937 where: short stacking energy: -818.765 Base-Backbone interact. energy: -2.027 local terms energy: -842.222307 where: bonds (distance) C4'-P energy: -153.471 bonds (distance) P-C4' energy: -143.902 flat angles C4'-P-C4' energy: -179.685 flat angles P-C4'-P energy: -115.815 tors. eta vs tors. theta energy: -249.349 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: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2509.509948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.509948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.509948 (E_RNA) where: Base-Base interactions energy: -1766.097 where: short stacking energy: -774.567 Base-Backbone interact. energy: 2.113 local terms energy: -745.525736 where: bonds (distance) C4'-P energy: -118.852 bonds (distance) P-C4' energy: -145.181 flat angles C4'-P-C4' energy: -167.226 flat angles P-C4'-P energy: -102.103 tors. eta vs tors. theta energy: -212.164 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: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1951.290591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.290591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.290591 (E_RNA) where: Base-Base interactions energy: -1330.484 where: short stacking energy: -584.129 Base-Backbone interact. energy: 3.213 local terms energy: -624.019371 where: bonds (distance) C4'-P energy: -121.573 bonds (distance) P-C4' energy: -141.148 flat angles C4'-P-C4' energy: -137.737 flat angles P-C4'-P energy: -95.262 tors. eta vs tors. theta energy: -128.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1667.865644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.865644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.865644 (E_RNA) where: Base-Base interactions energy: -1143.888 where: short stacking energy: -539.960 Base-Backbone interact. energy: 2.541 local terms energy: -526.518005 where: bonds (distance) C4'-P energy: -100.150 bonds (distance) P-C4' energy: -102.531 flat angles C4'-P-C4' energy: -129.521 flat angles P-C4'-P energy: -85.518 tors. eta vs tors. theta energy: -108.797 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: 401 Temperature: 1.350000 Total energy: -1107.470070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.470070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.470070 (E_RNA) where: Base-Base interactions energy: -667.959 where: short stacking energy: -322.174 Base-Backbone interact. energy: -1.347 local terms energy: -438.164154 where: bonds (distance) C4'-P energy: -99.077 bonds (distance) P-C4' energy: -137.895 flat angles C4'-P-C4' energy: -109.201 flat angles P-C4'-P energy: -90.347 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3120.845443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.845443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.845443 (E_RNA) where: Base-Base interactions energy: -2189.521 where: short stacking energy: -924.603 Base-Backbone interact. energy: -3.008 local terms energy: -928.316243 where: bonds (distance) C4'-P energy: -167.419 bonds (distance) P-C4' energy: -164.084 flat angles C4'-P-C4' energy: -190.137 flat angles P-C4'-P energy: -143.023 tors. eta vs tors. theta energy: -263.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2962.028117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.028117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.028117 (E_RNA) where: Base-Base interactions energy: -2051.881 where: short stacking energy: -904.248 Base-Backbone interact. energy: -3.554 local terms energy: -906.593152 where: bonds (distance) C4'-P energy: -159.130 bonds (distance) P-C4' energy: -169.445 flat angles C4'-P-C4' energy: -188.177 flat angles P-C4'-P energy: -128.070 tors. eta vs tors. theta energy: -261.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2929.159048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.159048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.159048 (E_RNA) where: Base-Base interactions energy: -2051.814 where: short stacking energy: -901.061 Base-Backbone interact. energy: -5.431 local terms energy: -871.914365 where: bonds (distance) C4'-P energy: -139.310 bonds (distance) P-C4' energy: -156.191 flat angles C4'-P-C4' energy: -195.427 flat angles P-C4'-P energy: -119.063 tors. eta vs tors. theta energy: -261.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2801.383219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.383219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.383219 (E_RNA) where: Base-Base interactions energy: -1954.848 where: short stacking energy: -853.923 Base-Backbone interact. energy: -0.770 local terms energy: -845.764494 where: bonds (distance) C4'-P energy: -152.548 bonds (distance) P-C4' energy: -156.857 flat angles C4'-P-C4' energy: -185.067 flat angles P-C4'-P energy: -114.466 tors. eta vs tors. theta energy: -236.826 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: 8 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2699.822445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.822445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.822445 (E_RNA) where: Base-Base interactions energy: -1881.353 where: short stacking energy: -806.925 Base-Backbone interact. energy: -3.571 local terms energy: -814.898379 where: bonds (distance) C4'-P energy: -142.312 bonds (distance) P-C4' energy: -150.830 flat angles C4'-P-C4' energy: -171.937 flat angles P-C4'-P energy: -120.435 tors. eta vs tors. theta energy: -229.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2602.183498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.183498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.183498 (E_RNA) where: Base-Base interactions energy: -1775.400 where: short stacking energy: -796.936 Base-Backbone interact. energy: -1.411 local terms energy: -825.372826 where: bonds (distance) C4'-P energy: -131.373 bonds (distance) P-C4' energy: -161.985 flat angles C4'-P-C4' energy: -182.009 flat angles P-C4'-P energy: -112.611 tors. eta vs tors. theta energy: -237.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2426.987568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.987568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.987568 (E_RNA) where: Base-Base interactions energy: -1701.685 where: short stacking energy: -726.953 Base-Backbone interact. energy: -2.002 local terms energy: -723.300686 where: bonds (distance) C4'-P energy: -146.035 bonds (distance) P-C4' energy: -141.669 flat angles C4'-P-C4' energy: -149.398 flat angles P-C4'-P energy: -88.262 tors. eta vs tors. theta energy: -197.936 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: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1922.625324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.625324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.625324 (E_RNA) where: Base-Base interactions energy: -1262.886 where: short stacking energy: -596.617 Base-Backbone interact. energy: -0.467 local terms energy: -659.272277 where: bonds (distance) C4'-P energy: -131.611 bonds (distance) P-C4' energy: -141.557 flat angles C4'-P-C4' energy: -144.161 flat angles P-C4'-P energy: -95.434 tors. eta vs tors. theta energy: -146.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1550.102352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.102352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.102352 (E_RNA) where: Base-Base interactions energy: -1012.061 where: short stacking energy: -488.377 Base-Backbone interact. energy: 0.955 local terms energy: -538.996429 where: bonds (distance) C4'-P energy: -106.561 bonds (distance) P-C4' energy: -140.775 flat angles C4'-P-C4' energy: -127.185 flat angles P-C4'-P energy: -81.954 tors. eta vs tors. theta energy: -82.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1056.732292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.732292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.732292 (E_RNA) where: Base-Base interactions energy: -600.041 where: short stacking energy: -294.552 Base-Backbone interact. energy: 2.628 local terms energy: -459.318601 where: bonds (distance) C4'-P energy: -139.652 bonds (distance) P-C4' energy: -120.446 flat angles C4'-P-C4' energy: -113.269 flat angles P-C4'-P energy: -68.440 tors. eta vs tors. theta energy: -17.512 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: 403 Temperature: 0.900000 Total energy: -3105.511839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.511839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.511839 (E_RNA) where: Base-Base interactions energy: -2190.966 where: short stacking energy: -928.184 Base-Backbone interact. energy: -0.913 local terms energy: -913.632997 where: bonds (distance) C4'-P energy: -160.250 bonds (distance) P-C4' energy: -162.666 flat angles C4'-P-C4' energy: -192.712 flat angles P-C4'-P energy: -138.368 tors. eta vs tors. theta energy: -259.636 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: 2, replica: 5 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2991.572667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.572667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.572667 (E_RNA) where: Base-Base interactions energy: -2068.007 where: short stacking energy: -911.131 Base-Backbone interact. energy: -9.400 local terms energy: -914.165839 where: bonds (distance) C4'-P energy: -163.068 bonds (distance) P-C4' energy: -178.624 flat angles C4'-P-C4' energy: -189.590 flat angles P-C4'-P energy: -128.427 tors. eta vs tors. theta energy: -254.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2898.383756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.383756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.383756 (E_RNA) where: Base-Base interactions energy: -2016.250 where: short stacking energy: -879.092 Base-Backbone interact. energy: -1.647 local terms energy: -880.486549 where: bonds (distance) C4'-P energy: -159.553 bonds (distance) P-C4' energy: -152.640 flat angles C4'-P-C4' energy: -179.925 flat angles P-C4'-P energy: -118.290 tors. eta vs tors. theta energy: -270.077 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: 403 Temperature: 1.050000 Total energy: -2764.369542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.369542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.369542 (E_RNA) where: Base-Base interactions energy: -1955.113 where: short stacking energy: -834.665 Base-Backbone interact. energy: 2.569 local terms energy: -811.825115 where: bonds (distance) C4'-P energy: -150.567 bonds (distance) P-C4' energy: -140.357 flat angles C4'-P-C4' energy: -179.945 flat angles P-C4'-P energy: -104.033 tors. eta vs tors. theta energy: -236.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2714.750540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.750540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.750540 (E_RNA) where: Base-Base interactions energy: -1881.701 where: short stacking energy: -818.338 Base-Backbone interact. energy: 3.180 local terms energy: -836.229250 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -166.694 flat angles C4'-P-C4' energy: -190.685 flat angles P-C4'-P energy: -108.418 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: 6, replica: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2616.881063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.881063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.881063 (E_RNA) where: Base-Base interactions energy: -1837.992 where: short stacking energy: -788.942 Base-Backbone interact. energy: -2.421 local terms energy: -776.468363 where: bonds (distance) C4'-P energy: -135.580 bonds (distance) P-C4' energy: -139.941 flat angles C4'-P-C4' energy: -164.821 flat angles P-C4'-P energy: -116.713 tors. eta vs tors. theta energy: -219.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2388.858627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.858627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.858627 (E_RNA) where: Base-Base interactions energy: -1661.116 where: short stacking energy: -720.199 Base-Backbone interact. energy: -2.741 local terms energy: -725.001870 where: bonds (distance) C4'-P energy: -152.921 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -152.348 flat angles P-C4'-P energy: -87.601 tors. eta vs tors. theta energy: -191.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1954.777825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.777825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.777825 (E_RNA) where: Base-Base interactions energy: -1308.558 where: short stacking energy: -603.185 Base-Backbone interact. energy: 0.086 local terms energy: -646.305758 where: bonds (distance) C4'-P energy: -137.632 bonds (distance) P-C4' energy: -141.252 flat angles C4'-P-C4' energy: -144.425 flat angles P-C4'-P energy: -82.818 tors. eta vs tors. theta energy: -140.179 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: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1470.344546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.344546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.344546 (E_RNA) where: Base-Base interactions energy: -918.927 where: short stacking energy: -422.634 Base-Backbone interact. energy: 2.388 local terms energy: -553.805978 where: bonds (distance) C4'-P energy: -122.893 bonds (distance) P-C4' energy: -138.578 flat angles C4'-P-C4' energy: -160.174 flat angles P-C4'-P energy: -57.205 tors. eta vs tors. theta energy: -74.957 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: 403 Temperature: 1.350000 Total energy: -1051.267101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.267101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.267101 (E_RNA) where: Base-Base interactions energy: -575.943 where: short stacking energy: -301.747 Base-Backbone interact. energy: 3.494 local terms energy: -478.818048 where: bonds (distance) C4'-P energy: -137.428 bonds (distance) P-C4' energy: -145.516 flat angles C4'-P-C4' energy: -113.596 flat angles P-C4'-P energy: -60.201 tors. eta vs tors. theta energy: -22.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3104.423509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.423509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.423509 (E_RNA) where: Base-Base interactions energy: -2201.067 where: short stacking energy: -944.520 Base-Backbone interact. energy: -1.811 local terms energy: -901.545845 where: bonds (distance) C4'-P energy: -160.886 bonds (distance) P-C4' energy: -152.330 flat angles C4'-P-C4' energy: -196.335 flat angles P-C4'-P energy: -123.799 tors. eta vs tors. theta energy: -268.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -3010.004965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.004965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.004965 (E_RNA) where: Base-Base interactions energy: -2123.264 where: short stacking energy: -919.228 Base-Backbone interact. energy: -7.829 local terms energy: -878.911707 where: bonds (distance) C4'-P energy: -133.941 bonds (distance) P-C4' energy: -162.362 flat angles C4'-P-C4' energy: -183.714 flat angles P-C4'-P energy: -134.777 tors. eta vs tors. theta energy: -264.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2909.977144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.977144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.977144 (E_RNA) where: Base-Base interactions energy: -1999.241 where: short stacking energy: -880.199 Base-Backbone interact. energy: -5.983 local terms energy: -904.753938 where: bonds (distance) C4'-P energy: -149.155 bonds (distance) P-C4' energy: -159.558 flat angles C4'-P-C4' energy: -194.241 flat angles P-C4'-P energy: -136.378 tors. eta vs tors. theta energy: -265.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2770.250319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.250319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.250319 (E_RNA) where: Base-Base interactions energy: -1922.157 where: short stacking energy: -830.919 Base-Backbone interact. energy: -1.776 local terms energy: -846.318087 where: bonds (distance) C4'-P energy: -159.823 bonds (distance) P-C4' energy: -150.970 flat angles C4'-P-C4' energy: -178.024 flat angles P-C4'-P energy: -121.475 tors. eta vs tors. theta energy: -236.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2729.980320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.980320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.980320 (E_RNA) where: Base-Base interactions energy: -1887.577 where: short stacking energy: -813.584 Base-Backbone interact. energy: -0.904 local terms energy: -841.499458 where: bonds (distance) C4'-P energy: -146.704 bonds (distance) P-C4' energy: -164.302 flat angles C4'-P-C4' energy: -179.496 flat angles P-C4'-P energy: -101.181 tors. eta vs tors. theta energy: -249.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2615.615431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.615431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.615431 (E_RNA) where: Base-Base interactions energy: -1824.216 where: short stacking energy: -793.660 Base-Backbone interact. energy: 0.474 local terms energy: -791.873443 where: bonds (distance) C4'-P energy: -150.308 bonds (distance) P-C4' energy: -129.750 flat angles C4'-P-C4' energy: -169.102 flat angles P-C4'-P energy: -103.620 tors. eta vs tors. theta energy: -239.094 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: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2331.212918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.212918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.212918 (E_RNA) where: Base-Base interactions energy: -1657.090 where: short stacking energy: -700.113 Base-Backbone interact. energy: 0.955 local terms energy: -675.077996 where: bonds (distance) C4'-P energy: -131.965 bonds (distance) P-C4' energy: -127.209 flat angles C4'-P-C4' energy: -150.529 flat angles P-C4'-P energy: -93.503 tors. eta vs tors. theta energy: -171.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1998.452657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.452657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.452657 (E_RNA) where: Base-Base interactions energy: -1361.986 where: short stacking energy: -609.431 Base-Backbone interact. energy: -2.255 local terms energy: -634.211721 where: bonds (distance) C4'-P energy: -113.181 bonds (distance) P-C4' energy: -131.742 flat angles C4'-P-C4' energy: -131.619 flat angles P-C4'-P energy: -94.154 tors. eta vs tors. theta energy: -163.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1534.034811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.034811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.034811 (E_RNA) where: Base-Base interactions energy: -962.300 where: short stacking energy: -410.350 Base-Backbone interact. energy: -0.266 local terms energy: -571.469414 where: bonds (distance) C4'-P energy: -142.744 bonds (distance) P-C4' energy: -131.350 flat angles C4'-P-C4' energy: -155.828 flat angles P-C4'-P energy: -82.163 tors. eta vs tors. theta energy: -59.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1087.253063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.253063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.253063 (E_RNA) where: Base-Base interactions energy: -610.901 where: short stacking energy: -312.895 Base-Backbone interact. energy: 3.718 local terms energy: -480.070116 where: bonds (distance) C4'-P energy: -137.418 bonds (distance) P-C4' energy: -136.091 flat angles C4'-P-C4' energy: -121.664 flat angles P-C4'-P energy: -72.236 tors. eta vs tors. theta energy: -12.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3113.248668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.248668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.248668 (E_RNA) where: Base-Base interactions energy: -2191.920 where: short stacking energy: -925.287 Base-Backbone interact. energy: -4.085 local terms energy: -917.243740 where: bonds (distance) C4'-P energy: -168.851 bonds (distance) P-C4' energy: -174.242 flat angles C4'-P-C4' energy: -170.551 flat angles P-C4'-P energy: -138.236 tors. eta vs tors. theta energy: -265.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -3014.585766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.585766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.585766 (E_RNA) where: Base-Base interactions energy: -2119.544 where: short stacking energy: -928.633 Base-Backbone interact. energy: 3.653 local terms energy: -898.694993 where: bonds (distance) C4'-P energy: -144.389 bonds (distance) P-C4' energy: -156.857 flat angles C4'-P-C4' energy: -201.757 flat angles P-C4'-P energy: -136.313 tors. eta vs tors. theta energy: -259.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -2874.576366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.576366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.576366 (E_RNA) where: Base-Base interactions energy: -2000.294 where: short stacking energy: -853.495 Base-Backbone interact. energy: -3.963 local terms energy: -870.319385 where: bonds (distance) C4'-P energy: -147.942 bonds (distance) P-C4' energy: -166.247 flat angles C4'-P-C4' energy: -189.034 flat angles P-C4'-P energy: -112.417 tors. eta vs tors. theta energy: -254.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2791.191599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.191599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.191599 (E_RNA) where: Base-Base interactions energy: -1927.008 where: short stacking energy: -885.121 Base-Backbone interact. energy: -2.509 local terms energy: -861.674757 where: bonds (distance) C4'-P energy: -155.642 bonds (distance) P-C4' energy: -134.243 flat angles C4'-P-C4' energy: -188.622 flat angles P-C4'-P energy: -134.601 tors. eta vs tors. theta energy: -248.567 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: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2660.059122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.059122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.059122 (E_RNA) where: Base-Base interactions energy: -1841.065 where: short stacking energy: -801.636 Base-Backbone interact. energy: -2.727 local terms energy: -816.267015 where: bonds (distance) C4'-P energy: -154.117 bonds (distance) P-C4' energy: -160.029 flat angles C4'-P-C4' energy: -167.140 flat angles P-C4'-P energy: -104.374 tors. eta vs tors. theta energy: -230.607 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: 2 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2572.152604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.152604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.152604 (E_RNA) where: Base-Base interactions energy: -1795.028 where: short stacking energy: -764.373 Base-Backbone interact. energy: -2.325 local terms energy: -774.799178 where: bonds (distance) C4'-P energy: -146.213 bonds (distance) P-C4' energy: -145.703 flat angles C4'-P-C4' energy: -152.691 flat angles P-C4'-P energy: -104.484 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: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2367.338128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.338128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.338128 (E_RNA) where: Base-Base interactions energy: -1633.178 where: short stacking energy: -707.930 Base-Backbone interact. energy: -6.259 local terms energy: -727.900445 where: bonds (distance) C4'-P energy: -127.403 bonds (distance) P-C4' energy: -133.303 flat angles C4'-P-C4' energy: -158.596 flat angles P-C4'-P energy: -120.859 tors. eta vs tors. theta energy: -187.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1982.908465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.908465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.908465 (E_RNA) where: Base-Base interactions energy: -1330.397 where: short stacking energy: -622.325 Base-Backbone interact. energy: -1.911 local terms energy: -650.600256 where: bonds (distance) C4'-P energy: -127.155 bonds (distance) P-C4' energy: -125.186 flat angles C4'-P-C4' energy: -145.889 flat angles P-C4'-P energy: -96.118 tors. eta vs tors. theta energy: -156.252 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: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1534.052848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.052848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.052848 (E_RNA) where: Base-Base interactions energy: -967.997 where: short stacking energy: -443.206 Base-Backbone interact. energy: 4.944 local terms energy: -571.000225 where: bonds (distance) C4'-P energy: -133.380 bonds (distance) P-C4' energy: -139.579 flat angles C4'-P-C4' energy: -122.739 flat angles P-C4'-P energy: -84.042 tors. eta vs tors. theta energy: -91.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1020.834123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.834123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.834123 (E_RNA) where: Base-Base interactions energy: -530.127 where: short stacking energy: -299.117 Base-Backbone interact. energy: 1.757 local terms energy: -492.464137 where: bonds (distance) C4'-P energy: -134.864 bonds (distance) P-C4' energy: -151.129 flat angles C4'-P-C4' energy: -126.423 flat angles P-C4'-P energy: -71.789 tors. eta vs tors. theta energy: -8.259 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: 3 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3112.035091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.035091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.035091 (E_RNA) where: Base-Base interactions energy: -2176.010 where: short stacking energy: -903.925 Base-Backbone interact. energy: -6.672 local terms energy: -929.353423 where: bonds (distance) C4'-P energy: -159.595 bonds (distance) P-C4' energy: -176.458 flat angles C4'-P-C4' energy: -183.465 flat angles P-C4'-P energy: -144.910 tors. eta vs tors. theta energy: -264.926 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: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3028.998253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.998253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.998253 (E_RNA) where: Base-Base interactions energy: -2109.925 where: short stacking energy: -907.789 Base-Backbone interact. energy: -3.444 local terms energy: -915.629932 where: bonds (distance) C4'-P energy: -179.158 bonds (distance) P-C4' energy: -161.149 flat angles C4'-P-C4' energy: -187.744 flat angles P-C4'-P energy: -121.065 tors. eta vs tors. theta energy: -266.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2883.422132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.422132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.422132 (E_RNA) where: Base-Base interactions energy: -2006.671 where: short stacking energy: -887.856 Base-Backbone interact. energy: -5.520 local terms energy: -871.231284 where: bonds (distance) C4'-P energy: -155.947 bonds (distance) P-C4' energy: -155.539 flat angles C4'-P-C4' energy: -185.732 flat angles P-C4'-P energy: -111.766 tors. eta vs tors. theta energy: -262.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2796.416212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.416212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.416212 (E_RNA) where: Base-Base interactions energy: -1947.145 where: short stacking energy: -870.527 Base-Backbone interact. energy: 2.747 local terms energy: -852.017522 where: bonds (distance) C4'-P energy: -151.103 bonds (distance) P-C4' energy: -140.151 flat angles C4'-P-C4' energy: -180.116 flat angles P-C4'-P energy: -129.904 tors. eta vs tors. theta energy: -250.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2666.745450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.745450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.745450 (E_RNA) where: Base-Base interactions energy: -1882.338 where: short stacking energy: -800.702 Base-Backbone interact. energy: 4.941 local terms energy: -789.348538 where: bonds (distance) C4'-P energy: -137.403 bonds (distance) P-C4' energy: -151.763 flat angles C4'-P-C4' energy: -186.227 flat angles P-C4'-P energy: -107.692 tors. eta vs tors. theta energy: -206.263 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: 6, replica: 2 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2548.143592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.143592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.143592 (E_RNA) where: Base-Base interactions energy: -1749.696 where: short stacking energy: -783.500 Base-Backbone interact. energy: 2.066 local terms energy: -800.513441 where: bonds (distance) C4'-P energy: -145.198 bonds (distance) P-C4' energy: -144.234 flat angles C4'-P-C4' energy: -168.405 flat angles P-C4'-P energy: -112.829 tors. eta vs tors. theta energy: -229.848 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: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2450.398852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.398852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.398852 (E_RNA) where: Base-Base interactions energy: -1722.652 where: short stacking energy: -720.886 Base-Backbone interact. energy: 8.496 local terms energy: -736.243562 where: bonds (distance) C4'-P energy: -131.503 bonds (distance) P-C4' energy: -144.575 flat angles C4'-P-C4' energy: -163.447 flat angles P-C4'-P energy: -102.706 tors. eta vs tors. theta energy: -194.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1930.701654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.701654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.701654 (E_RNA) where: Base-Base interactions energy: -1261.148 where: short stacking energy: -520.366 Base-Backbone interact. energy: 3.227 local terms energy: -672.780649 where: bonds (distance) C4'-P energy: -133.838 bonds (distance) P-C4' energy: -156.811 flat angles C4'-P-C4' energy: -150.804 flat angles P-C4'-P energy: -93.706 tors. eta vs tors. theta energy: -137.622 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: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1536.990238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.990238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.990238 (E_RNA) where: Base-Base interactions energy: -969.911 where: short stacking energy: -440.292 Base-Backbone interact. energy: 0.860 local terms energy: -567.938808 where: bonds (distance) C4'-P energy: -145.689 bonds (distance) P-C4' energy: -139.323 flat angles C4'-P-C4' energy: -133.787 flat angles P-C4'-P energy: -68.120 tors. eta vs tors. theta energy: -81.020 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: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1062.524555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.524555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.524555 (E_RNA) where: Base-Base interactions energy: -613.419 where: short stacking energy: -308.731 Base-Backbone interact. energy: 2.096 local terms energy: -451.202154 where: bonds (distance) C4'-P energy: -114.668 bonds (distance) P-C4' energy: -141.486 flat angles C4'-P-C4' energy: -112.442 flat angles P-C4'-P energy: -74.140 tors. eta vs tors. theta energy: -8.467 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: 3 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3144.188488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.188488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.188488 (E_RNA) where: Base-Base interactions energy: -2194.791 where: short stacking energy: -935.487 Base-Backbone interact. energy: -5.452 local terms energy: -943.945939 where: bonds (distance) C4'-P energy: -175.582 bonds (distance) P-C4' energy: -174.603 flat angles C4'-P-C4' energy: -191.372 flat angles P-C4'-P energy: -134.531 tors. eta vs tors. theta energy: -267.858 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: 5 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2982.125656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.125656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.125656 (E_RNA) where: Base-Base interactions energy: -2080.086 where: short stacking energy: -920.145 Base-Backbone interact. energy: -6.267 local terms energy: -895.772604 where: bonds (distance) C4'-P energy: -141.877 bonds (distance) P-C4' energy: -164.681 flat angles C4'-P-C4' energy: -196.242 flat angles P-C4'-P energy: -127.844 tors. eta vs tors. theta energy: -265.129 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: 4 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2921.545915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.545915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.545915 (E_RNA) where: Base-Base interactions energy: -2040.801 where: short stacking energy: -881.730 Base-Backbone interact. energy: -4.398 local terms energy: -876.347097 where: bonds (distance) C4'-P energy: -147.116 bonds (distance) P-C4' energy: -158.305 flat angles C4'-P-C4' energy: -190.736 flat angles P-C4'-P energy: -115.631 tors. eta vs tors. theta energy: -264.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2790.214625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.214625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.214625 (E_RNA) where: Base-Base interactions energy: -1914.575 where: short stacking energy: -817.371 Base-Backbone interact. energy: -2.315 local terms energy: -873.324306 where: bonds (distance) C4'-P energy: -169.618 bonds (distance) P-C4' energy: -164.683 flat angles C4'-P-C4' energy: -183.434 flat angles P-C4'-P energy: -114.471 tors. eta vs tors. theta energy: -241.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2697.284087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.284087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.284087 (E_RNA) where: Base-Base interactions energy: -1879.068 where: short stacking energy: -792.833 Base-Backbone interact. energy: -2.706 local terms energy: -815.510288 where: bonds (distance) C4'-P energy: -142.931 bonds (distance) P-C4' energy: -151.672 flat angles C4'-P-C4' energy: -177.298 flat angles P-C4'-P energy: -111.482 tors. eta vs tors. theta energy: -232.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2553.640472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.640472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.640472 (E_RNA) where: Base-Base interactions energy: -1754.460 where: short stacking energy: -771.121 Base-Backbone interact. energy: -2.402 local terms energy: -796.777718 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -136.986 flat angles C4'-P-C4' energy: -168.071 flat angles P-C4'-P energy: -118.092 tors. eta vs tors. theta energy: -226.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2457.952465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.952465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.952465 (E_RNA) where: Base-Base interactions energy: -1734.105 where: short stacking energy: -712.995 Base-Backbone interact. energy: -0.437 local terms energy: -723.409912 where: bonds (distance) C4'-P energy: -143.400 bonds (distance) P-C4' energy: -151.680 flat angles C4'-P-C4' energy: -144.146 flat angles P-C4'-P energy: -89.628 tors. eta vs tors. theta energy: -194.557 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: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1923.386030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.386030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.386030 (E_RNA) where: Base-Base interactions energy: -1306.756 where: short stacking energy: -559.280 Base-Backbone interact. energy: 2.203 local terms energy: -618.833178 where: bonds (distance) C4'-P energy: -127.131 bonds (distance) P-C4' energy: -123.771 flat angles C4'-P-C4' energy: -158.659 flat angles P-C4'-P energy: -78.377 tors. eta vs tors. theta energy: -130.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1528.523053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.523053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.523053 (E_RNA) where: Base-Base interactions energy: -970.607 where: short stacking energy: -452.977 Base-Backbone interact. energy: -1.030 local terms energy: -556.886155 where: bonds (distance) C4'-P energy: -122.768 bonds (distance) P-C4' energy: -141.903 flat angles C4'-P-C4' energy: -134.318 flat angles P-C4'-P energy: -89.010 tors. eta vs tors. theta energy: -68.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1158.618982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.618982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.618982 (E_RNA) where: Base-Base interactions energy: -678.790 where: short stacking energy: -373.491 Base-Backbone interact. energy: -1.247 local terms energy: -478.582789 where: bonds (distance) C4'-P energy: -130.423 bonds (distance) P-C4' energy: -141.652 flat angles C4'-P-C4' energy: -99.902 flat angles P-C4'-P energy: -71.207 tors. eta vs tors. theta energy: -35.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3142.039665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.039665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.039665 (E_RNA) where: Base-Base interactions energy: -2222.340 where: short stacking energy: -933.874 Base-Backbone interact. energy: -2.710 local terms energy: -916.989102 where: bonds (distance) C4'-P energy: -155.273 bonds (distance) P-C4' energy: -166.573 flat angles C4'-P-C4' energy: -181.137 flat angles P-C4'-P energy: -147.804 tors. eta vs tors. theta energy: -266.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -3013.303562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.303562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.303562 (E_RNA) where: Base-Base interactions energy: -2126.695 where: short stacking energy: -919.186 Base-Backbone interact. energy: -5.419 local terms energy: -881.189770 where: bonds (distance) C4'-P energy: -158.294 bonds (distance) P-C4' energy: -153.377 flat angles C4'-P-C4' energy: -192.851 flat angles P-C4'-P energy: -108.252 tors. eta vs tors. theta energy: -268.415 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: 3, replica: 4 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2920.916787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.916787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.916787 (E_RNA) where: Base-Base interactions energy: -2027.883 where: short stacking energy: -879.147 Base-Backbone interact. energy: -2.113 local terms energy: -890.921146 where: bonds (distance) C4'-P energy: -145.554 bonds (distance) P-C4' energy: -178.489 flat angles C4'-P-C4' energy: -179.975 flat angles P-C4'-P energy: -124.431 tors. eta vs tors. theta energy: -262.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2786.711645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.711645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.711645 (E_RNA) where: Base-Base interactions energy: -1932.969 where: short stacking energy: -871.219 Base-Backbone interact. energy: -3.173 local terms energy: -850.568988 where: bonds (distance) C4'-P energy: -147.472 bonds (distance) P-C4' energy: -165.189 flat angles C4'-P-C4' energy: -179.707 flat angles P-C4'-P energy: -115.015 tors. eta vs tors. theta energy: -243.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2720.767409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.767409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.767409 (E_RNA) where: Base-Base interactions energy: -1911.000 where: short stacking energy: -835.837 Base-Backbone interact. energy: 5.542 local terms energy: -815.308557 where: bonds (distance) C4'-P energy: -135.692 bonds (distance) P-C4' energy: -158.827 flat angles C4'-P-C4' energy: -166.738 flat angles P-C4'-P energy: -117.602 tors. eta vs tors. theta energy: -236.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2539.224585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.224585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.224585 (E_RNA) where: Base-Base interactions energy: -1805.960 where: short stacking energy: -813.013 Base-Backbone interact. energy: -2.252 local terms energy: -731.011906 where: bonds (distance) C4'-P energy: -128.063 bonds (distance) P-C4' energy: -108.643 flat angles C4'-P-C4' energy: -157.064 flat angles P-C4'-P energy: -92.540 tors. eta vs tors. theta energy: -244.702 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: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2480.696270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.696270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.696270 (E_RNA) where: Base-Base interactions energy: -1737.933 where: short stacking energy: -737.024 Base-Backbone interact. energy: -4.946 local terms energy: -737.817348 where: bonds (distance) C4'-P energy: -135.937 bonds (distance) P-C4' energy: -152.520 flat angles C4'-P-C4' energy: -147.785 flat angles P-C4'-P energy: -109.289 tors. eta vs tors. theta energy: -192.287 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: 408 Temperature: 1.250000 Total energy: -1846.044272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.044272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.044272 (E_RNA) where: Base-Base interactions energy: -1237.635 where: short stacking energy: -551.482 Base-Backbone interact. energy: -2.566 local terms energy: -605.842834 where: bonds (distance) C4'-P energy: -131.007 bonds (distance) P-C4' energy: -118.696 flat angles C4'-P-C4' energy: -165.772 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: -113.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1525.936497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.936497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.936497 (E_RNA) where: Base-Base interactions energy: -984.613 where: short stacking energy: -451.156 Base-Backbone interact. energy: 0.155 local terms energy: -541.478361 where: bonds (distance) C4'-P energy: -112.159 bonds (distance) P-C4' energy: -141.404 flat angles C4'-P-C4' energy: -125.756 flat angles P-C4'-P energy: -78.224 tors. eta vs tors. theta energy: -83.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1105.250757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.250757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.250757 (E_RNA) where: Base-Base interactions energy: -606.359 where: short stacking energy: -325.204 Base-Backbone interact. energy: 3.624 local terms energy: -502.515913 where: bonds (distance) C4'-P energy: -131.735 bonds (distance) P-C4' energy: -131.655 flat angles C4'-P-C4' energy: -135.346 flat angles P-C4'-P energy: -78.914 tors. eta vs tors. theta energy: -24.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3127.877233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.877233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.877233 (E_RNA) where: Base-Base interactions energy: -2207.887 where: short stacking energy: -914.055 Base-Backbone interact. energy: -4.502 local terms energy: -915.488754 where: bonds (distance) C4'-P energy: -176.028 bonds (distance) P-C4' energy: -161.581 flat angles C4'-P-C4' energy: -192.206 flat angles P-C4'-P energy: -120.297 tors. eta vs tors. theta energy: -265.377 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: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -3021.230068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.230068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.230068 (E_RNA) where: Base-Base interactions energy: -2116.500 where: short stacking energy: -915.745 Base-Backbone interact. energy: 0.590 local terms energy: -905.319249 where: bonds (distance) C4'-P energy: -172.947 bonds (distance) P-C4' energy: -140.528 flat angles C4'-P-C4' energy: -192.285 flat angles P-C4'-P energy: -129.171 tors. eta vs tors. theta energy: -270.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2917.594125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.594125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.594125 (E_RNA) where: Base-Base interactions energy: -2030.271 where: short stacking energy: -859.656 Base-Backbone interact. energy: -3.149 local terms energy: -884.174368 where: bonds (distance) C4'-P energy: -163.534 bonds (distance) P-C4' energy: -153.671 flat angles C4'-P-C4' energy: -182.663 flat angles P-C4'-P energy: -134.233 tors. eta vs tors. theta energy: -250.073 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: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2789.450729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.450729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.450729 (E_RNA) where: Base-Base interactions energy: -1951.246 where: short stacking energy: -872.806 Base-Backbone interact. energy: -2.956 local terms energy: -835.249267 where: bonds (distance) C4'-P energy: -156.045 bonds (distance) P-C4' energy: -130.207 flat angles C4'-P-C4' energy: -163.457 flat angles P-C4'-P energy: -140.210 tors. eta vs tors. theta energy: -245.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2719.287577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.287577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.287577 (E_RNA) where: Base-Base interactions energy: -1916.529 where: short stacking energy: -821.449 Base-Backbone interact. energy: 2.696 local terms energy: -805.455313 where: bonds (distance) C4'-P energy: -142.007 bonds (distance) P-C4' energy: -143.369 flat angles C4'-P-C4' energy: -178.821 flat angles P-C4'-P energy: -101.176 tors. eta vs tors. theta energy: -240.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2556.117916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.117916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.117916 (E_RNA) where: Base-Base interactions energy: -1768.426 where: short stacking energy: -781.154 Base-Backbone interact. energy: -3.754 local terms energy: -783.938359 where: bonds (distance) C4'-P energy: -114.779 bonds (distance) P-C4' energy: -157.732 flat angles C4'-P-C4' energy: -183.926 flat angles P-C4'-P energy: -105.024 tors. eta vs tors. theta energy: -222.477 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: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2493.624959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.624959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.624959 (E_RNA) where: Base-Base interactions energy: -1780.846 where: short stacking energy: -773.771 Base-Backbone interact. energy: -4.171 local terms energy: -708.607590 where: bonds (distance) C4'-P energy: -125.224 bonds (distance) P-C4' energy: -137.999 flat angles C4'-P-C4' energy: -154.758 flat angles P-C4'-P energy: -77.812 tors. eta vs tors. theta energy: -212.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1855.090811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.090811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.090811 (E_RNA) where: Base-Base interactions energy: -1217.133 where: short stacking energy: -568.460 Base-Backbone interact. energy: 0.414 local terms energy: -638.371819 where: bonds (distance) C4'-P energy: -126.081 bonds (distance) P-C4' energy: -146.434 flat angles C4'-P-C4' energy: -133.481 flat angles P-C4'-P energy: -92.442 tors. eta vs tors. theta energy: -139.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1482.639627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.639627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.639627 (E_RNA) where: Base-Base interactions energy: -944.636 where: short stacking energy: -451.288 Base-Backbone interact. energy: -3.758 local terms energy: -534.245563 where: bonds (distance) C4'-P energy: -124.758 bonds (distance) P-C4' energy: -144.572 flat angles C4'-P-C4' energy: -128.906 flat angles P-C4'-P energy: -64.090 tors. eta vs tors. theta energy: -71.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1126.749178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.749178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.749178 (E_RNA) where: Base-Base interactions energy: -682.870 where: short stacking energy: -341.618 Base-Backbone interact. energy: 4.755 local terms energy: -448.634103 where: bonds (distance) C4'-P energy: -116.738 bonds (distance) P-C4' energy: -118.515 flat angles C4'-P-C4' energy: -118.706 flat angles P-C4'-P energy: -65.003 tors. eta vs tors. theta energy: -29.672 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: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3125.625164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.625164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.625164 (E_RNA) where: Base-Base interactions energy: -2181.932 where: short stacking energy: -938.556 Base-Backbone interact. energy: -4.473 local terms energy: -939.220599 where: bonds (distance) C4'-P energy: -158.966 bonds (distance) P-C4' energy: -174.463 flat angles C4'-P-C4' energy: -184.404 flat angles P-C4'-P energy: -148.362 tors. eta vs tors. theta energy: -273.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -3022.191906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.191906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.191906 (E_RNA) where: Base-Base interactions energy: -2101.034 where: short stacking energy: -939.997 Base-Backbone interact. energy: -2.324 local terms energy: -918.833328 where: bonds (distance) C4'-P energy: -160.968 bonds (distance) P-C4' energy: -161.494 flat angles C4'-P-C4' energy: -191.129 flat angles P-C4'-P energy: -134.658 tors. eta vs tors. theta energy: -270.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2908.390151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.390151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.390151 (E_RNA) where: Base-Base interactions energy: -2046.331 where: short stacking energy: -870.212 Base-Backbone interact. energy: -1.396 local terms energy: -860.662792 where: bonds (distance) C4'-P energy: -141.644 bonds (distance) P-C4' energy: -160.729 flat angles C4'-P-C4' energy: -189.279 flat angles P-C4'-P energy: -117.986 tors. eta vs tors. theta energy: -251.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2805.941015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.941015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.941015 (E_RNA) where: Base-Base interactions energy: -1963.146 where: short stacking energy: -889.522 Base-Backbone interact. energy: -1.645 local terms energy: -841.150020 where: bonds (distance) C4'-P energy: -146.272 bonds (distance) P-C4' energy: -149.765 flat angles C4'-P-C4' energy: -181.143 flat angles P-C4'-P energy: -114.616 tors. eta vs tors. theta energy: -249.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2745.228587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.228587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.228587 (E_RNA) where: Base-Base interactions energy: -1922.882 where: short stacking energy: -838.238 Base-Backbone interact. energy: 2.607 local terms energy: -824.953687 where: bonds (distance) C4'-P energy: -158.080 bonds (distance) P-C4' energy: -144.602 flat angles C4'-P-C4' energy: -175.385 flat angles P-C4'-P energy: -112.394 tors. eta vs tors. theta energy: -234.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2531.390444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.390444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.390444 (E_RNA) where: Base-Base interactions energy: -1766.767 where: short stacking energy: -784.897 Base-Backbone interact. energy: -0.737 local terms energy: -763.886189 where: bonds (distance) C4'-P energy: -129.827 bonds (distance) P-C4' energy: -134.047 flat angles C4'-P-C4' energy: -174.408 flat angles P-C4'-P energy: -105.995 tors. eta vs tors. theta energy: -219.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2516.011116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.011116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.011116 (E_RNA) where: Base-Base interactions energy: -1753.135 where: short stacking energy: -772.542 Base-Backbone interact. energy: 2.981 local terms energy: -765.857035 where: bonds (distance) C4'-P energy: -100.252 bonds (distance) P-C4' energy: -152.268 flat angles C4'-P-C4' energy: -171.699 flat angles P-C4'-P energy: -120.132 tors. eta vs tors. theta energy: -221.505 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: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1876.378837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.378837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.378837 (E_RNA) where: Base-Base interactions energy: -1250.141 where: short stacking energy: -548.564 Base-Backbone interact. energy: -0.706 local terms energy: -625.531400 where: bonds (distance) C4'-P energy: -112.635 bonds (distance) P-C4' energy: -136.121 flat angles C4'-P-C4' energy: -155.891 flat angles P-C4'-P energy: -89.647 tors. eta vs tors. theta energy: -131.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1463.807237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.807237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.807237 (E_RNA) where: Base-Base interactions energy: -971.179 where: short stacking energy: -445.103 Base-Backbone interact. energy: 1.932 local terms energy: -494.560532 where: bonds (distance) C4'-P energy: -109.920 bonds (distance) P-C4' energy: -127.398 flat angles C4'-P-C4' energy: -122.958 flat angles P-C4'-P energy: -65.273 tors. eta vs tors. theta energy: -69.012 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: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1067.279731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.279731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.279731 (E_RNA) where: Base-Base interactions energy: -618.822 where: short stacking energy: -311.504 Base-Backbone interact. energy: 3.622 local terms energy: -452.079279 where: bonds (distance) C4'-P energy: -110.728 bonds (distance) P-C4' energy: -117.043 flat angles C4'-P-C4' energy: -131.110 flat angles P-C4'-P energy: -72.012 tors. eta vs tors. theta energy: -21.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3101.521334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.521334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.521334 (E_RNA) where: Base-Base interactions energy: -2185.855 where: short stacking energy: -917.682 Base-Backbone interact. energy: -2.353 local terms energy: -913.313510 where: bonds (distance) C4'-P energy: -176.254 bonds (distance) P-C4' energy: -155.446 flat angles C4'-P-C4' energy: -191.448 flat angles P-C4'-P energy: -125.591 tors. eta vs tors. theta energy: -264.574 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: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -3038.734312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.734312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.734312 (E_RNA) where: Base-Base interactions energy: -2148.192 where: short stacking energy: -938.844 Base-Backbone interact. energy: -5.325 local terms energy: -885.217318 where: bonds (distance) C4'-P energy: -157.567 bonds (distance) P-C4' energy: -158.139 flat angles C4'-P-C4' energy: -172.118 flat angles P-C4'-P energy: -118.808 tors. eta vs tors. theta energy: -278.585 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: 3, replica: 4 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2921.461202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.461202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.461202 (E_RNA) where: Base-Base interactions energy: -2029.957 where: short stacking energy: -870.991 Base-Backbone interact. energy: -4.056 local terms energy: -887.448697 where: bonds (distance) C4'-P energy: -156.510 bonds (distance) P-C4' energy: -163.324 flat angles C4'-P-C4' energy: -191.799 flat angles P-C4'-P energy: -117.509 tors. eta vs tors. theta energy: -258.306 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: 8 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2842.333658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.333658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.333658 (E_RNA) where: Base-Base interactions energy: -1976.854 where: short stacking energy: -879.839 Base-Backbone interact. energy: -3.092 local terms energy: -862.387294 where: bonds (distance) C4'-P energy: -156.362 bonds (distance) P-C4' energy: -160.419 flat angles C4'-P-C4' energy: -176.426 flat angles P-C4'-P energy: -125.557 tors. eta vs tors. theta energy: -243.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2785.108919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.108919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.108919 (E_RNA) where: Base-Base interactions energy: -1968.020 where: short stacking energy: -858.694 Base-Backbone interact. energy: 12.585 local terms energy: -829.673710 where: bonds (distance) C4'-P energy: -133.825 bonds (distance) P-C4' energy: -160.090 flat angles C4'-P-C4' energy: -172.583 flat angles P-C4'-P energy: -104.617 tors. eta vs tors. theta energy: -258.559 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: 411 Temperature: 1.150000 Total energy: -2558.104137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.104137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.104137 (E_RNA) where: Base-Base interactions energy: -1790.908 where: short stacking energy: -768.586 Base-Backbone interact. energy: -1.680 local terms energy: -765.516431 where: bonds (distance) C4'-P energy: -138.528 bonds (distance) P-C4' energy: -143.699 flat angles C4'-P-C4' energy: -158.123 flat angles P-C4'-P energy: -105.950 tors. eta vs tors. theta energy: -219.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2468.605931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.605931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.605931 (E_RNA) where: Base-Base interactions energy: -1715.327 where: short stacking energy: -764.367 Base-Backbone interact. energy: -1.398 local terms energy: -751.880910 where: bonds (distance) C4'-P energy: -151.618 bonds (distance) P-C4' energy: -125.953 flat angles C4'-P-C4' energy: -166.687 flat angles P-C4'-P energy: -94.003 tors. eta vs tors. theta energy: -213.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1921.759666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.759666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.759666 (E_RNA) where: Base-Base interactions energy: -1309.938 where: short stacking energy: -581.069 Base-Backbone interact. energy: -3.097 local terms energy: -608.725471 where: bonds (distance) C4'-P energy: -136.327 bonds (distance) P-C4' energy: -121.089 flat angles C4'-P-C4' energy: -141.816 flat angles P-C4'-P energy: -84.222 tors. eta vs tors. theta energy: -125.272 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: 10 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1557.290506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.290506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.290506 (E_RNA) where: Base-Base interactions energy: -1034.234 where: short stacking energy: -462.258 Base-Backbone interact. energy: 9.362 local terms energy: -532.419257 where: bonds (distance) C4'-P energy: -113.005 bonds (distance) P-C4' energy: -143.758 flat angles C4'-P-C4' energy: -137.074 flat angles P-C4'-P energy: -77.413 tors. eta vs tors. theta energy: -61.168 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: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1003.243848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.243848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.243848 (E_RNA) where: Base-Base interactions energy: -547.625 where: short stacking energy: -286.119 Base-Backbone interact. energy: -1.234 local terms energy: -454.384472 where: bonds (distance) C4'-P energy: -121.968 bonds (distance) P-C4' energy: -139.651 flat angles C4'-P-C4' energy: -108.270 flat angles P-C4'-P energy: -60.814 tors. eta vs tors. theta energy: -23.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3116.438964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.438964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.438964 (E_RNA) where: Base-Base interactions energy: -2201.107 where: short stacking energy: -909.174 Base-Backbone interact. energy: 0.455 local terms energy: -915.787155 where: bonds (distance) C4'-P energy: -178.291 bonds (distance) P-C4' energy: -167.300 flat angles C4'-P-C4' energy: -196.069 flat angles P-C4'-P energy: -122.870 tors. eta vs tors. theta energy: -251.257 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: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -3016.118246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.118246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.118246 (E_RNA) where: Base-Base interactions energy: -2106.486 where: short stacking energy: -929.169 Base-Backbone interact. energy: -3.864 local terms energy: -905.768270 where: bonds (distance) C4'-P energy: -152.943 bonds (distance) P-C4' energy: -166.387 flat angles C4'-P-C4' energy: -188.633 flat angles P-C4'-P energy: -130.036 tors. eta vs tors. theta energy: -267.768 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: 4 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2911.670989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.670989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.670989 (E_RNA) where: Base-Base interactions energy: -2022.088 where: short stacking energy: -860.264 Base-Backbone interact. energy: -3.977 local terms energy: -885.606237 where: bonds (distance) C4'-P energy: -168.421 bonds (distance) P-C4' energy: -165.398 flat angles C4'-P-C4' energy: -183.192 flat angles P-C4'-P energy: -119.539 tors. eta vs tors. theta energy: -249.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2824.188756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.188756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.188756 (E_RNA) where: Base-Base interactions energy: -1986.040 where: short stacking energy: -885.788 Base-Backbone interact. energy: 0.189 local terms energy: -838.338361 where: bonds (distance) C4'-P energy: -150.604 bonds (distance) P-C4' energy: -146.718 flat angles C4'-P-C4' energy: -168.802 flat angles P-C4'-P energy: -111.019 tors. eta vs tors. theta energy: -261.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2757.968431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.968431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.968431 (E_RNA) where: Base-Base interactions energy: -1940.714 where: short stacking energy: -825.185 Base-Backbone interact. energy: 0.553 local terms energy: -817.807200 where: bonds (distance) C4'-P energy: -136.617 bonds (distance) P-C4' energy: -146.131 flat angles C4'-P-C4' energy: -172.619 flat angles P-C4'-P energy: -117.396 tors. eta vs tors. theta energy: -245.044 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: 6 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2563.195924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.195924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.195924 (E_RNA) where: Base-Base interactions energy: -1792.561 where: short stacking energy: -780.703 Base-Backbone interact. energy: 2.937 local terms energy: -773.572556 where: bonds (distance) C4'-P energy: -112.729 bonds (distance) P-C4' energy: -148.804 flat angles C4'-P-C4' energy: -171.442 flat angles P-C4'-P energy: -109.283 tors. eta vs tors. theta energy: -231.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2463.132830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.132830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.132830 (E_RNA) where: Base-Base interactions energy: -1720.390 where: short stacking energy: -732.951 Base-Backbone interact. energy: -3.787 local terms energy: -738.956251 where: bonds (distance) C4'-P energy: -133.415 bonds (distance) P-C4' energy: -137.553 flat angles C4'-P-C4' energy: -170.926 flat angles P-C4'-P energy: -85.822 tors. eta vs tors. theta energy: -211.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1833.166807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.166807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.166807 (E_RNA) where: Base-Base interactions energy: -1182.085 where: short stacking energy: -563.765 Base-Backbone interact. energy: -4.517 local terms energy: -646.565235 where: bonds (distance) C4'-P energy: -132.166 bonds (distance) P-C4' energy: -133.544 flat angles C4'-P-C4' energy: -145.829 flat angles P-C4'-P energy: -118.964 tors. eta vs tors. theta energy: -116.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1566.021647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.021647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.021647 (E_RNA) where: Base-Base interactions energy: -1025.726 where: short stacking energy: -465.534 Base-Backbone interact. energy: 0.656 local terms energy: -540.951840 where: bonds (distance) C4'-P energy: -123.811 bonds (distance) P-C4' energy: -140.338 flat angles C4'-P-C4' energy: -125.281 flat angles P-C4'-P energy: -93.760 tors. eta vs tors. theta energy: -57.761 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: 412 Temperature: 1.350000 Total energy: -1089.819468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.819468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.819468 (E_RNA) where: Base-Base interactions energy: -600.494 where: short stacking energy: -321.104 Base-Backbone interact. energy: 6.635 local terms energy: -495.960426 where: bonds (distance) C4'-P energy: -123.819 bonds (distance) P-C4' energy: -140.231 flat angles C4'-P-C4' energy: -120.846 flat angles P-C4'-P energy: -80.256 tors. eta vs tors. theta energy: -30.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3123.611001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.611001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.611001 (E_RNA) where: Base-Base interactions energy: -2216.256 where: short stacking energy: -930.248 Base-Backbone interact. energy: -2.929 local terms energy: -904.425497 where: bonds (distance) C4'-P energy: -164.209 bonds (distance) P-C4' energy: -161.333 flat angles C4'-P-C4' energy: -196.160 flat angles P-C4'-P energy: -125.768 tors. eta vs tors. theta energy: -256.955 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: 2, replica: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -3036.048637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.048637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.048637 (E_RNA) where: Base-Base interactions energy: -2114.436 where: short stacking energy: -951.967 Base-Backbone interact. energy: -2.397 local terms energy: -919.216047 where: bonds (distance) C4'-P energy: -151.355 bonds (distance) P-C4' energy: -159.785 flat angles C4'-P-C4' energy: -200.747 flat angles P-C4'-P energy: -129.124 tors. eta vs tors. theta energy: -278.205 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: 4 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2901.877898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.877898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.877898 (E_RNA) where: Base-Base interactions energy: -2038.898 where: short stacking energy: -893.985 Base-Backbone interact. energy: -4.584 local terms energy: -858.396639 where: bonds (distance) C4'-P energy: -151.913 bonds (distance) P-C4' energy: -143.236 flat angles C4'-P-C4' energy: -179.224 flat angles P-C4'-P energy: -122.389 tors. eta vs tors. theta energy: -261.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2855.661603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.661603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.661603 (E_RNA) where: Base-Base interactions energy: -1977.451 where: short stacking energy: -872.242 Base-Backbone interact. energy: -3.629 local terms energy: -874.580763 where: bonds (distance) C4'-P energy: -155.201 bonds (distance) P-C4' energy: -168.256 flat angles C4'-P-C4' energy: -175.237 flat angles P-C4'-P energy: -120.679 tors. eta vs tors. theta energy: -255.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2737.127955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2737.127955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2737.127955 (E_RNA) where: Base-Base interactions energy: -1917.041 where: short stacking energy: -826.782 Base-Backbone interact. energy: 2.289 local terms energy: -822.375471 where: bonds (distance) C4'-P energy: -138.230 bonds (distance) P-C4' energy: -152.234 flat angles C4'-P-C4' energy: -188.834 flat angles P-C4'-P energy: -102.758 tors. eta vs tors. theta energy: -240.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2619.690602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.690602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.690602 (E_RNA) where: Base-Base interactions energy: -1802.414 where: short stacking energy: -776.231 Base-Backbone interact. energy: -1.411 local terms energy: -815.865986 where: bonds (distance) C4'-P energy: -134.381 bonds (distance) P-C4' energy: -156.445 flat angles C4'-P-C4' energy: -167.375 flat angles P-C4'-P energy: -120.264 tors. eta vs tors. theta energy: -237.401 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: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2464.897632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.897632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.897632 (E_RNA) where: Base-Base interactions energy: -1725.166 where: short stacking energy: -753.471 Base-Backbone interact. energy: -0.626 local terms energy: -739.105337 where: bonds (distance) C4'-P energy: -139.533 bonds (distance) P-C4' energy: -123.926 flat angles C4'-P-C4' energy: -149.920 flat angles P-C4'-P energy: -100.711 tors. eta vs tors. theta energy: -225.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1835.256851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.256851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.256851 (E_RNA) where: Base-Base interactions energy: -1178.390 where: short stacking energy: -527.695 Base-Backbone interact. energy: -3.011 local terms energy: -653.855767 where: bonds (distance) C4'-P energy: -145.747 bonds (distance) P-C4' energy: -166.163 flat angles C4'-P-C4' energy: -141.589 flat angles P-C4'-P energy: -86.464 tors. eta vs tors. theta energy: -113.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1542.532852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.532852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.532852 (E_RNA) where: Base-Base interactions energy: -976.058 where: short stacking energy: -447.357 Base-Backbone interact. energy: 1.862 local terms energy: -568.336929 where: bonds (distance) C4'-P energy: -122.527 bonds (distance) P-C4' energy: -145.740 flat angles C4'-P-C4' energy: -129.787 flat angles P-C4'-P energy: -84.940 tors. eta vs tors. theta energy: -85.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1104.960631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.960631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.960631 (E_RNA) where: Base-Base interactions energy: -603.988 where: short stacking energy: -330.491 Base-Backbone interact. energy: -1.030 local terms energy: -499.942151 where: bonds (distance) C4'-P energy: -127.855 bonds (distance) P-C4' energy: -152.599 flat angles C4'-P-C4' energy: -108.969 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: -29.053 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: 3 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3101.613463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.613463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.613463 (E_RNA) where: Base-Base interactions energy: -2179.158 where: short stacking energy: -936.608 Base-Backbone interact. energy: -0.612 local terms energy: -921.844004 where: bonds (distance) C4'-P energy: -159.795 bonds (distance) P-C4' energy: -168.200 flat angles C4'-P-C4' energy: -190.877 flat angles P-C4'-P energy: -130.200 tors. eta vs tors. theta energy: -272.772 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: 2, replica: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -3050.155172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.155172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.155172 (E_RNA) where: Base-Base interactions energy: -2129.930 where: short stacking energy: -960.705 Base-Backbone interact. energy: 0.918 local terms energy: -921.143036 where: bonds (distance) C4'-P energy: -145.720 bonds (distance) P-C4' energy: -161.083 flat angles C4'-P-C4' energy: -197.586 flat angles P-C4'-P energy: -131.581 tors. eta vs tors. theta energy: -285.172 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: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2855.349022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.349022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.349022 (E_RNA) where: Base-Base interactions energy: -2000.891 where: short stacking energy: -884.792 Base-Backbone interact. energy: -0.374 local terms energy: -854.084794 where: bonds (distance) C4'-P energy: -135.489 bonds (distance) P-C4' energy: -164.019 flat angles C4'-P-C4' energy: -176.009 flat angles P-C4'-P energy: -115.381 tors. eta vs tors. theta energy: -263.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2838.981169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.981169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.981169 (E_RNA) where: Base-Base interactions energy: -1985.494 where: short stacking energy: -866.294 Base-Backbone interact. energy: -3.429 local terms energy: -850.057357 where: bonds (distance) C4'-P energy: -139.699 bonds (distance) P-C4' energy: -148.717 flat angles C4'-P-C4' energy: -188.113 flat angles P-C4'-P energy: -117.470 tors. eta vs tors. theta energy: -256.057 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: 414 Temperature: 1.100000 Total energy: -2703.068232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.068232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.068232 (E_RNA) where: Base-Base interactions energy: -1874.720 where: short stacking energy: -804.539 Base-Backbone interact. energy: -0.714 local terms energy: -827.633655 where: bonds (distance) C4'-P energy: -148.849 bonds (distance) P-C4' energy: -134.768 flat angles C4'-P-C4' energy: -172.938 flat angles P-C4'-P energy: -135.741 tors. eta vs tors. theta energy: -235.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2649.167708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.167708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.167708 (E_RNA) where: Base-Base interactions energy: -1842.363 where: short stacking energy: -765.972 Base-Backbone interact. energy: -3.702 local terms energy: -803.102359 where: bonds (distance) C4'-P energy: -143.144 bonds (distance) P-C4' energy: -157.518 flat angles C4'-P-C4' energy: -170.886 flat angles P-C4'-P energy: -101.199 tors. eta vs tors. theta energy: -230.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2490.606358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.606358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.606358 (E_RNA) where: Base-Base interactions energy: -1703.809 where: short stacking energy: -777.711 Base-Backbone interact. energy: -1.190 local terms energy: -785.607269 where: bonds (distance) C4'-P energy: -134.179 bonds (distance) P-C4' energy: -145.868 flat angles C4'-P-C4' energy: -165.969 flat angles P-C4'-P energy: -116.256 tors. eta vs tors. theta energy: -223.336 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: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1850.817238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.817238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.817238 (E_RNA) where: Base-Base interactions energy: -1209.826 where: short stacking energy: -543.395 Base-Backbone interact. energy: 0.059 local terms energy: -641.049832 where: bonds (distance) C4'-P energy: -141.598 bonds (distance) P-C4' energy: -149.100 flat angles C4'-P-C4' energy: -126.266 flat angles P-C4'-P energy: -86.207 tors. eta vs tors. theta energy: -137.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1569.598222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.598222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.598222 (E_RNA) where: Base-Base interactions energy: -1013.291 where: short stacking energy: -477.485 Base-Backbone interact. energy: 1.308 local terms energy: -557.615696 where: bonds (distance) C4'-P energy: -118.304 bonds (distance) P-C4' energy: -155.025 flat angles C4'-P-C4' energy: -133.081 flat angles P-C4'-P energy: -60.737 tors. eta vs tors. theta energy: -90.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1089.078894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.078894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.078894 (E_RNA) where: Base-Base interactions energy: -612.309 where: short stacking energy: -327.075 Base-Backbone interact. energy: 5.917 local terms energy: -482.687229 where: bonds (distance) C4'-P energy: -131.858 bonds (distance) P-C4' energy: -141.314 flat angles C4'-P-C4' energy: -130.287 flat angles P-C4'-P energy: -68.943 tors. eta vs tors. theta energy: -10.285 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: 3 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3136.232815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.232815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.232815 (E_RNA) where: Base-Base interactions energy: -2200.442 where: short stacking energy: -918.583 Base-Backbone interact. energy: -3.306 local terms energy: -932.484918 where: bonds (distance) C4'-P energy: -162.280 bonds (distance) P-C4' energy: -166.033 flat angles C4'-P-C4' energy: -200.328 flat angles P-C4'-P energy: -136.180 tors. eta vs tors. theta energy: -267.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -3023.760180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.760180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.760180 (E_RNA) where: Base-Base interactions energy: -2117.090 where: short stacking energy: -932.536 Base-Backbone interact. energy: -4.470 local terms energy: -902.200018 where: bonds (distance) C4'-P energy: -141.879 bonds (distance) P-C4' energy: -149.588 flat angles C4'-P-C4' energy: -197.538 flat angles P-C4'-P energy: -131.708 tors. eta vs tors. theta energy: -281.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2869.010104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.010104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.010104 (E_RNA) where: Base-Base interactions energy: -1989.287 where: short stacking energy: -862.400 Base-Backbone interact. energy: -1.348 local terms energy: -878.374732 where: bonds (distance) C4'-P energy: -144.829 bonds (distance) P-C4' energy: -173.716 flat angles C4'-P-C4' energy: -190.242 flat angles P-C4'-P energy: -123.290 tors. eta vs tors. theta energy: -246.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2850.808469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.808469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.808469 (E_RNA) where: Base-Base interactions energy: -1969.962 where: short stacking energy: -831.685 Base-Backbone interact. energy: 1.879 local terms energy: -882.725223 where: bonds (distance) C4'-P energy: -159.197 bonds (distance) P-C4' energy: -154.475 flat angles C4'-P-C4' energy: -189.076 flat angles P-C4'-P energy: -123.376 tors. eta vs tors. theta energy: -256.601 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: 415 Temperature: 1.100000 Total energy: -2702.946460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.946460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.946460 (E_RNA) where: Base-Base interactions energy: -1856.322 where: short stacking energy: -793.040 Base-Backbone interact. energy: -4.393 local terms energy: -842.231340 where: bonds (distance) C4'-P energy: -159.442 bonds (distance) P-C4' energy: -156.209 flat angles C4'-P-C4' energy: -177.312 flat angles P-C4'-P energy: -119.240 tors. eta vs tors. theta energy: -230.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2675.245075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.245075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.245075 (E_RNA) where: Base-Base interactions energy: -1870.966 where: short stacking energy: -814.093 Base-Backbone interact. energy: -2.824 local terms energy: -801.455269 where: bonds (distance) C4'-P energy: -134.828 bonds (distance) P-C4' energy: -145.127 flat angles C4'-P-C4' energy: -169.105 flat angles P-C4'-P energy: -111.505 tors. eta vs tors. theta energy: -240.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2518.127483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.127483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.127483 (E_RNA) where: Base-Base interactions energy: -1780.863 where: short stacking energy: -806.275 Base-Backbone interact. energy: -2.299 local terms energy: -734.965956 where: bonds (distance) C4'-P energy: -107.931 bonds (distance) P-C4' energy: -137.405 flat angles C4'-P-C4' energy: -162.075 flat angles P-C4'-P energy: -95.590 tors. eta vs tors. theta energy: -231.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1926.163383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.163383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.163383 (E_RNA) where: Base-Base interactions energy: -1283.432 where: short stacking energy: -569.554 Base-Backbone interact. energy: -0.329 local terms energy: -642.402112 where: bonds (distance) C4'-P energy: -122.453 bonds (distance) P-C4' energy: -137.216 flat angles C4'-P-C4' energy: -143.561 flat angles P-C4'-P energy: -96.401 tors. eta vs tors. theta energy: -142.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1534.236160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.236160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.236160 (E_RNA) where: Base-Base interactions energy: -985.954 where: short stacking energy: -456.260 Base-Backbone interact. energy: 0.553 local terms energy: -548.834438 where: bonds (distance) C4'-P energy: -116.276 bonds (distance) P-C4' energy: -131.977 flat angles C4'-P-C4' energy: -151.727 flat angles P-C4'-P energy: -75.026 tors. eta vs tors. theta energy: -73.828 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: 9 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1049.868578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.868578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.868578 (E_RNA) where: Base-Base interactions energy: -565.278 where: short stacking energy: -299.377 Base-Backbone interact. energy: -2.367 local terms energy: -482.222835 where: bonds (distance) C4'-P energy: -132.581 bonds (distance) P-C4' energy: -132.841 flat angles C4'-P-C4' energy: -122.862 flat angles P-C4'-P energy: -83.099 tors. eta vs tors. theta energy: -10.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3122.207642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.207642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.207642 (E_RNA) where: Base-Base interactions energy: -2210.574 where: short stacking energy: -926.509 Base-Backbone interact. energy: -2.881 local terms energy: -908.752704 where: bonds (distance) C4'-P energy: -160.903 bonds (distance) P-C4' energy: -165.238 flat angles C4'-P-C4' energy: -194.465 flat angles P-C4'-P energy: -124.663 tors. eta vs tors. theta energy: -263.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -3024.485203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.485203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.485203 (E_RNA) where: Base-Base interactions energy: -2084.139 where: short stacking energy: -916.326 Base-Backbone interact. energy: -4.524 local terms energy: -935.822321 where: bonds (distance) C4'-P energy: -165.891 bonds (distance) P-C4' energy: -166.739 flat angles C4'-P-C4' energy: -182.220 flat angles P-C4'-P energy: -140.955 tors. eta vs tors. theta energy: -280.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2862.429214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.429214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.429214 (E_RNA) where: Base-Base interactions energy: -1985.077 where: short stacking energy: -864.351 Base-Backbone interact. energy: 0.911 local terms energy: -878.263413 where: bonds (distance) C4'-P energy: -153.287 bonds (distance) P-C4' energy: -168.617 flat angles C4'-P-C4' energy: -190.899 flat angles P-C4'-P energy: -111.502 tors. eta vs tors. theta energy: -253.960 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: 4 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2861.604215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.604215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.604215 (E_RNA) where: Base-Base interactions energy: -1993.025 where: short stacking energy: -865.455 Base-Backbone interact. energy: -0.624 local terms energy: -867.954809 where: bonds (distance) C4'-P energy: -147.834 bonds (distance) P-C4' energy: -163.800 flat angles C4'-P-C4' energy: -170.082 flat angles P-C4'-P energy: -130.966 tors. eta vs tors. theta energy: -255.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2701.897790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.897790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.897790 (E_RNA) where: Base-Base interactions energy: -1863.714 where: short stacking energy: -794.709 Base-Backbone interact. energy: -0.840 local terms energy: -837.343470 where: bonds (distance) C4'-P energy: -151.117 bonds (distance) P-C4' energy: -155.709 flat angles C4'-P-C4' energy: -186.337 flat angles P-C4'-P energy: -114.384 tors. eta vs tors. theta energy: -229.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2643.830731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.830731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.830731 (E_RNA) where: Base-Base interactions energy: -1840.075 where: short stacking energy: -787.891 Base-Backbone interact. energy: -0.082 local terms energy: -803.673501 where: bonds (distance) C4'-P energy: -141.030 bonds (distance) P-C4' energy: -153.434 flat angles C4'-P-C4' energy: -165.557 flat angles P-C4'-P energy: -114.879 tors. eta vs tors. theta energy: -228.773 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: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2469.954742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.954742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.954742 (E_RNA) where: Base-Base interactions energy: -1732.087 where: short stacking energy: -761.447 Base-Backbone interact. energy: -2.811 local terms energy: -735.056813 where: bonds (distance) C4'-P energy: -144.435 bonds (distance) P-C4' energy: -125.968 flat angles C4'-P-C4' energy: -162.250 flat angles P-C4'-P energy: -98.710 tors. eta vs tors. theta energy: -203.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1999.548261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.548261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.548261 (E_RNA) where: Base-Base interactions energy: -1314.914 where: short stacking energy: -588.289 Base-Backbone interact. energy: -2.086 local terms energy: -682.548016 where: bonds (distance) C4'-P energy: -140.708 bonds (distance) P-C4' energy: -141.274 flat angles C4'-P-C4' energy: -167.496 flat angles P-C4'-P energy: -100.255 tors. eta vs tors. theta energy: -132.815 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: 10 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1636.830768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.830768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.830768 (E_RNA) where: Base-Base interactions energy: -1043.651 where: short stacking energy: -458.570 Base-Backbone interact. energy: 10.259 local terms energy: -603.438408 where: bonds (distance) C4'-P energy: -140.954 bonds (distance) P-C4' energy: -133.209 flat angles C4'-P-C4' energy: -159.185 flat angles P-C4'-P energy: -77.461 tors. eta vs tors. theta energy: -92.630 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: 416 Temperature: 1.350000 Total energy: -1112.380561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.380561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.380561 (E_RNA) where: Base-Base interactions energy: -623.496 where: short stacking energy: -337.136 Base-Backbone interact. energy: 10.744 local terms energy: -499.628668 where: bonds (distance) C4'-P energy: -116.572 bonds (distance) P-C4' energy: -148.740 flat angles C4'-P-C4' energy: -123.634 flat angles P-C4'-P energy: -79.231 tors. eta vs tors. theta energy: -31.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3165.063901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.063901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.063901 (E_RNA) where: Base-Base interactions energy: -2234.239 where: short stacking energy: -917.425 Base-Backbone interact. energy: -2.902 local terms energy: -927.922885 where: bonds (distance) C4'-P energy: -154.062 bonds (distance) P-C4' energy: -162.484 flat angles C4'-P-C4' energy: -195.582 flat angles P-C4'-P energy: -141.610 tors. eta vs tors. theta energy: -274.185 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: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -3037.824892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.824892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.824892 (E_RNA) where: Base-Base interactions energy: -2128.135 where: short stacking energy: -934.861 Base-Backbone interact. energy: -5.174 local terms energy: -904.515418 where: bonds (distance) C4'-P energy: -156.984 bonds (distance) P-C4' energy: -163.926 flat angles C4'-P-C4' energy: -187.435 flat angles P-C4'-P energy: -121.972 tors. eta vs tors. theta energy: -274.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2883.311731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.311731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.311731 (E_RNA) where: Base-Base interactions energy: -1977.605 where: short stacking energy: -910.751 Base-Backbone interact. energy: 0.737 local terms energy: -906.444643 where: bonds (distance) C4'-P energy: -169.623 bonds (distance) P-C4' energy: -172.360 flat angles C4'-P-C4' energy: -179.909 flat angles P-C4'-P energy: -121.455 tors. eta vs tors. theta energy: -263.097 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: 4 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2838.103339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.103339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.103339 (E_RNA) where: Base-Base interactions energy: -1997.542 where: short stacking energy: -851.091 Base-Backbone interact. energy: -3.045 local terms energy: -837.516129 where: bonds (distance) C4'-P energy: -132.561 bonds (distance) P-C4' energy: -164.598 flat angles C4'-P-C4' energy: -173.071 flat angles P-C4'-P energy: -110.545 tors. eta vs tors. theta energy: -256.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2662.813301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.813301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.813301 (E_RNA) where: Base-Base interactions energy: -1860.962 where: short stacking energy: -780.299 Base-Backbone interact. energy: -0.547 local terms energy: -801.304961 where: bonds (distance) C4'-P energy: -135.723 bonds (distance) P-C4' energy: -149.222 flat angles C4'-P-C4' energy: -174.274 flat angles P-C4'-P energy: -114.868 tors. eta vs tors. theta energy: -227.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2617.953530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.953530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.953530 (E_RNA) where: Base-Base interactions energy: -1808.572 where: short stacking energy: -778.486 Base-Backbone interact. energy: -0.250 local terms energy: -809.130747 where: bonds (distance) C4'-P energy: -142.005 bonds (distance) P-C4' energy: -160.511 flat angles C4'-P-C4' energy: -167.805 flat angles P-C4'-P energy: -104.272 tors. eta vs tors. theta energy: -234.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2463.266764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.266764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.266764 (E_RNA) where: Base-Base interactions energy: -1708.740 where: short stacking energy: -758.923 Base-Backbone interact. energy: -1.518 local terms energy: -753.008428 where: bonds (distance) C4'-P energy: -124.019 bonds (distance) P-C4' energy: -147.667 flat angles C4'-P-C4' energy: -168.410 flat angles P-C4'-P energy: -99.524 tors. eta vs tors. theta energy: -213.389 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: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1979.039169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.039169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.039169 (E_RNA) where: Base-Base interactions energy: -1338.534 where: short stacking energy: -580.885 Base-Backbone interact. energy: -0.037 local terms energy: -640.468022 where: bonds (distance) C4'-P energy: -139.310 bonds (distance) P-C4' energy: -118.522 flat angles C4'-P-C4' energy: -149.466 flat angles P-C4'-P energy: -82.604 tors. eta vs tors. theta energy: -150.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1593.909006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.909006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.909006 (E_RNA) where: Base-Base interactions energy: -1031.137 where: short stacking energy: -440.945 Base-Backbone interact. energy: -2.625 local terms energy: -560.146887 where: bonds (distance) C4'-P energy: -135.430 bonds (distance) P-C4' energy: -143.932 flat angles C4'-P-C4' energy: -127.377 flat angles P-C4'-P energy: -73.300 tors. eta vs tors. theta energy: -80.109 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: 417 Temperature: 1.350000 Total energy: -1158.530529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.530529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.530529 (E_RNA) where: Base-Base interactions energy: -719.526 where: short stacking energy: -354.799 Base-Backbone interact. energy: 6.251 local terms energy: -445.255531 where: bonds (distance) C4'-P energy: -124.959 bonds (distance) P-C4' energy: -110.926 flat angles C4'-P-C4' energy: -112.740 flat angles P-C4'-P energy: -56.583 tors. eta vs tors. theta energy: -40.047 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: 3 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3138.069589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.069589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.069589 (E_RNA) where: Base-Base interactions energy: -2211.867 where: short stacking energy: -929.823 Base-Backbone interact. energy: -4.060 local terms energy: -922.142784 where: bonds (distance) C4'-P energy: -156.668 bonds (distance) P-C4' energy: -178.671 flat angles C4'-P-C4' energy: -196.306 flat angles P-C4'-P energy: -129.586 tors. eta vs tors. theta energy: -260.912 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: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -3044.211519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.211519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.211519 (E_RNA) where: Base-Base interactions energy: -2113.400 where: short stacking energy: -914.623 Base-Backbone interact. energy: -3.147 local terms energy: -927.664245 where: bonds (distance) C4'-P energy: -169.494 bonds (distance) P-C4' energy: -157.841 flat angles C4'-P-C4' energy: -195.138 flat angles P-C4'-P energy: -124.889 tors. eta vs tors. theta energy: -280.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2876.556584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.556584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.556584 (E_RNA) where: Base-Base interactions energy: -2009.359 where: short stacking energy: -881.654 Base-Backbone interact. energy: -3.853 local terms energy: -863.344320 where: bonds (distance) C4'-P energy: -150.776 bonds (distance) P-C4' energy: -150.157 flat angles C4'-P-C4' energy: -184.179 flat angles P-C4'-P energy: -125.275 tors. eta vs tors. theta energy: -252.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2846.633033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.633033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.633033 (E_RNA) where: Base-Base interactions energy: -2017.917 where: short stacking energy: -834.915 Base-Backbone interact. energy: -3.298 local terms energy: -825.418482 where: bonds (distance) C4'-P energy: -130.174 bonds (distance) P-C4' energy: -142.241 flat angles C4'-P-C4' energy: -185.484 flat angles P-C4'-P energy: -121.028 tors. eta vs tors. theta energy: -246.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2681.746904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.746904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.746904 (E_RNA) where: Base-Base interactions energy: -1859.516 where: short stacking energy: -804.059 Base-Backbone interact. energy: -0.823 local terms energy: -821.407688 where: bonds (distance) C4'-P energy: -157.366 bonds (distance) P-C4' energy: -136.145 flat angles C4'-P-C4' energy: -172.041 flat angles P-C4'-P energy: -120.078 tors. eta vs tors. theta energy: -235.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2592.486622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.486622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.486622 (E_RNA) where: Base-Base interactions energy: -1774.123 where: short stacking energy: -759.726 Base-Backbone interact. energy: -2.715 local terms energy: -815.648486 where: bonds (distance) C4'-P energy: -145.670 bonds (distance) P-C4' energy: -153.603 flat angles C4'-P-C4' energy: -175.087 flat angles P-C4'-P energy: -117.460 tors. eta vs tors. theta energy: -223.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2449.015780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.015780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.015780 (E_RNA) where: Base-Base interactions energy: -1704.685 where: short stacking energy: -765.139 Base-Backbone interact. energy: -1.366 local terms energy: -742.964091 where: bonds (distance) C4'-P energy: -130.927 bonds (distance) P-C4' energy: -136.399 flat angles C4'-P-C4' energy: -168.239 flat angles P-C4'-P energy: -97.780 tors. eta vs tors. theta energy: -209.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1982.430465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.430465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.430465 (E_RNA) where: Base-Base interactions energy: -1320.127 where: short stacking energy: -580.838 Base-Backbone interact. energy: 0.454 local terms energy: -662.757530 where: bonds (distance) C4'-P energy: -125.594 bonds (distance) P-C4' energy: -143.734 flat angles C4'-P-C4' energy: -151.289 flat angles P-C4'-P energy: -100.347 tors. eta vs tors. theta energy: -141.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1633.187409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.187409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.187409 (E_RNA) where: Base-Base interactions energy: -1053.747 where: short stacking energy: -514.804 Base-Backbone interact. energy: -0.354 local terms energy: -579.087374 where: bonds (distance) C4'-P energy: -140.235 bonds (distance) P-C4' energy: -150.173 flat angles C4'-P-C4' energy: -132.675 flat angles P-C4'-P energy: -70.629 tors. eta vs tors. theta energy: -85.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1200.122532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.122532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.122532 (E_RNA) where: Base-Base interactions energy: -700.666 where: short stacking energy: -345.204 Base-Backbone interact. energy: 7.531 local terms energy: -506.987098 where: bonds (distance) C4'-P energy: -125.368 bonds (distance) P-C4' energy: -158.589 flat angles C4'-P-C4' energy: -130.630 flat angles P-C4'-P energy: -65.893 tors. eta vs tors. theta energy: -26.508 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: 3 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3161.376994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.376994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.376994 (E_RNA) where: Base-Base interactions energy: -2240.668 where: short stacking energy: -944.604 Base-Backbone interact. energy: -1.170 local terms energy: -919.538231 where: bonds (distance) C4'-P energy: -164.014 bonds (distance) P-C4' energy: -159.942 flat angles C4'-P-C4' energy: -203.169 flat angles P-C4'-P energy: -120.755 tors. eta vs tors. theta energy: -271.658 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: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -3044.370879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.370879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.370879 (E_RNA) where: Base-Base interactions energy: -2127.754 where: short stacking energy: -938.139 Base-Backbone interact. energy: -3.219 local terms energy: -913.398822 where: bonds (distance) C4'-P energy: -146.512 bonds (distance) P-C4' energy: -165.747 flat angles C4'-P-C4' energy: -189.952 flat angles P-C4'-P energy: -139.426 tors. eta vs tors. theta energy: -271.761 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: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2901.898475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.898475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.898475 (E_RNA) where: Base-Base interactions energy: -1991.484 where: short stacking energy: -904.207 Base-Backbone interact. energy: -2.567 local terms energy: -907.847375 where: bonds (distance) C4'-P energy: -153.563 bonds (distance) P-C4' energy: -169.188 flat angles C4'-P-C4' energy: -186.758 flat angles P-C4'-P energy: -138.116 tors. eta vs tors. theta energy: -260.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2846.148377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.148377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.148377 (E_RNA) where: Base-Base interactions energy: -1985.677 where: short stacking energy: -845.124 Base-Backbone interact. energy: -1.828 local terms energy: -858.643714 where: bonds (distance) C4'-P energy: -156.033 bonds (distance) P-C4' energy: -155.533 flat angles C4'-P-C4' energy: -171.775 flat angles P-C4'-P energy: -110.434 tors. eta vs tors. theta energy: -264.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2675.248862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.248862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.248862 (E_RNA) where: Base-Base interactions energy: -1866.188 where: short stacking energy: -786.699 Base-Backbone interact. energy: 5.362 local terms energy: -814.423164 where: bonds (distance) C4'-P energy: -158.347 bonds (distance) P-C4' energy: -155.545 flat angles C4'-P-C4' energy: -174.122 flat angles P-C4'-P energy: -103.964 tors. eta vs tors. theta energy: -222.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2596.650345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.650345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.650345 (E_RNA) where: Base-Base interactions energy: -1822.551 where: short stacking energy: -775.741 Base-Backbone interact. energy: 1.171 local terms energy: -775.270497 where: bonds (distance) C4'-P energy: -147.223 bonds (distance) P-C4' energy: -134.741 flat angles C4'-P-C4' energy: -166.383 flat angles P-C4'-P energy: -103.273 tors. eta vs tors. theta energy: -223.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2410.324598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.324598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.324598 (E_RNA) where: Base-Base interactions energy: -1681.841 where: short stacking energy: -733.816 Base-Backbone interact. energy: -2.942 local terms energy: -725.542187 where: bonds (distance) C4'-P energy: -129.260 bonds (distance) P-C4' energy: -119.482 flat angles C4'-P-C4' energy: -159.464 flat angles P-C4'-P energy: -108.017 tors. eta vs tors. theta energy: -209.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -2051.992618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.992618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.992618 (E_RNA) where: Base-Base interactions energy: -1363.011 where: short stacking energy: -608.454 Base-Backbone interact. energy: 4.184 local terms energy: -693.165030 where: bonds (distance) C4'-P energy: -154.902 bonds (distance) P-C4' energy: -157.360 flat angles C4'-P-C4' energy: -145.669 flat angles P-C4'-P energy: -86.888 tors. eta vs tors. theta energy: -148.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1501.772378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.772378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.772378 (E_RNA) where: Base-Base interactions energy: -948.594 where: short stacking energy: -425.878 Base-Backbone interact. energy: 3.655 local terms energy: -556.833867 where: bonds (distance) C4'-P energy: -149.245 bonds (distance) P-C4' energy: -108.829 flat angles C4'-P-C4' energy: -150.314 flat angles P-C4'-P energy: -86.136 tors. eta vs tors. theta energy: -62.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1127.926409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.926409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.926409 (E_RNA) where: Base-Base interactions energy: -684.299 where: short stacking energy: -324.723 Base-Backbone interact. energy: 4.934 local terms energy: -448.560935 where: bonds (distance) C4'-P energy: -138.922 bonds (distance) P-C4' energy: -105.693 flat angles C4'-P-C4' energy: -86.716 flat angles P-C4'-P energy: -76.229 tors. eta vs tors. theta energy: -41.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3141.585123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.585123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.585123 (E_RNA) where: Base-Base interactions energy: -2240.501 where: short stacking energy: -948.245 Base-Backbone interact. energy: -1.392 local terms energy: -899.691845 where: bonds (distance) C4'-P energy: -142.764 bonds (distance) P-C4' energy: -160.279 flat angles C4'-P-C4' energy: -201.956 flat angles P-C4'-P energy: -131.525 tors. eta vs tors. theta energy: -263.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -3009.962584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.962584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.962584 (E_RNA) where: Base-Base interactions energy: -2109.737 where: short stacking energy: -924.457 Base-Backbone interact. energy: -1.937 local terms energy: -898.288446 where: bonds (distance) C4'-P energy: -145.456 bonds (distance) P-C4' energy: -163.562 flat angles C4'-P-C4' energy: -189.149 flat angles P-C4'-P energy: -128.547 tors. eta vs tors. theta energy: -271.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2865.886136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.886136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.886136 (E_RNA) where: Base-Base interactions energy: -2005.256 where: short stacking energy: -892.963 Base-Backbone interact. energy: -0.470 local terms energy: -860.160279 where: bonds (distance) C4'-P energy: -165.521 bonds (distance) P-C4' energy: -158.485 flat angles C4'-P-C4' energy: -168.968 flat angles P-C4'-P energy: -117.887 tors. eta vs tors. theta energy: -249.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2829.577518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.577518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.577518 (E_RNA) where: Base-Base interactions energy: -1988.310 where: short stacking energy: -858.596 Base-Backbone interact. energy: -1.542 local terms energy: -839.725413 where: bonds (distance) C4'-P energy: -146.760 bonds (distance) P-C4' energy: -148.337 flat angles C4'-P-C4' energy: -174.431 flat angles P-C4'-P energy: -123.633 tors. eta vs tors. theta energy: -246.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2691.537718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.537718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.537718 (E_RNA) where: Base-Base interactions energy: -1898.747 where: short stacking energy: -800.056 Base-Backbone interact. energy: 8.037 local terms energy: -800.827589 where: bonds (distance) C4'-P energy: -137.844 bonds (distance) P-C4' energy: -150.012 flat angles C4'-P-C4' energy: -166.353 flat angles P-C4'-P energy: -122.475 tors. eta vs tors. theta energy: -224.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2611.128086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.128086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.128086 (E_RNA) where: Base-Base interactions energy: -1806.785 where: short stacking energy: -758.063 Base-Backbone interact. energy: -3.963 local terms energy: -800.380500 where: bonds (distance) C4'-P energy: -147.453 bonds (distance) P-C4' energy: -134.275 flat angles C4'-P-C4' energy: -181.804 flat angles P-C4'-P energy: -112.217 tors. eta vs tors. theta energy: -224.631 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: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2361.209773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.209773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.209773 (E_RNA) where: Base-Base interactions energy: -1629.587 where: short stacking energy: -702.350 Base-Backbone interact. energy: -0.644 local terms energy: -730.978635 where: bonds (distance) C4'-P energy: -125.927 bonds (distance) P-C4' energy: -132.671 flat angles C4'-P-C4' energy: -168.899 flat angles P-C4'-P energy: -113.559 tors. eta vs tors. theta energy: -189.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -2089.752072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.752072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.752072 (E_RNA) where: Base-Base interactions energy: -1403.432 where: short stacking energy: -651.126 Base-Backbone interact. energy: 3.398 local terms energy: -689.717812 where: bonds (distance) C4'-P energy: -120.081 bonds (distance) P-C4' energy: -147.759 flat angles C4'-P-C4' energy: -150.086 flat angles P-C4'-P energy: -105.592 tors. eta vs tors. theta energy: -166.200 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: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1557.202166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.202166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.202166 (E_RNA) where: Base-Base interactions energy: -1019.073 where: short stacking energy: -461.288 Base-Backbone interact. energy: 2.365 local terms energy: -540.494745 where: bonds (distance) C4'-P energy: -121.776 bonds (distance) P-C4' energy: -120.259 flat angles C4'-P-C4' energy: -142.857 flat angles P-C4'-P energy: -86.091 tors. eta vs tors. theta energy: -69.511 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: 9 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1189.070851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.070851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.070851 (E_RNA) where: Base-Base interactions energy: -713.051 where: short stacking energy: -343.511 Base-Backbone interact. energy: 2.767 local terms energy: -478.786473 where: bonds (distance) C4'-P energy: -136.061 bonds (distance) P-C4' energy: -120.845 flat angles C4'-P-C4' energy: -124.185 flat angles P-C4'-P energy: -86.555 tors. eta vs tors. theta energy: -11.141 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: 3 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3156.883040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.883040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.883040 (E_RNA) where: Base-Base interactions energy: -2220.670 where: short stacking energy: -921.136 Base-Backbone interact. energy: -4.751 local terms energy: -931.461362 where: bonds (distance) C4'-P energy: -171.192 bonds (distance) P-C4' energy: -163.413 flat angles C4'-P-C4' energy: -197.520 flat angles P-C4'-P energy: -128.769 tors. eta vs tors. theta energy: -270.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -3014.002742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.002742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.002742 (E_RNA) where: Base-Base interactions energy: -2099.928 where: short stacking energy: -913.063 Base-Backbone interact. energy: -6.574 local terms energy: -907.500842 where: bonds (distance) C4'-P energy: -165.430 bonds (distance) P-C4' energy: -170.649 flat angles C4'-P-C4' energy: -180.601 flat angles P-C4'-P energy: -119.052 tors. eta vs tors. theta energy: -271.769 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: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2920.297999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.297999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.297999 (E_RNA) where: Base-Base interactions energy: -2042.981 where: short stacking energy: -911.936 Base-Backbone interact. energy: -1.340 local terms energy: -875.976774 where: bonds (distance) C4'-P energy: -161.994 bonds (distance) P-C4' energy: -157.728 flat angles C4'-P-C4' energy: -178.154 flat angles P-C4'-P energy: -117.803 tors. eta vs tors. theta energy: -260.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2820.393992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.393992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.393992 (E_RNA) where: Base-Base interactions energy: -1960.441 where: short stacking energy: -855.165 Base-Backbone interact. energy: -4.463 local terms energy: -855.490316 where: bonds (distance) C4'-P energy: -161.800 bonds (distance) P-C4' energy: -153.494 flat angles C4'-P-C4' energy: -182.028 flat angles P-C4'-P energy: -110.747 tors. eta vs tors. theta energy: -247.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2684.165004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.165004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.165004 (E_RNA) where: Base-Base interactions energy: -1889.467 where: short stacking energy: -817.289 Base-Backbone interact. energy: 2.247 local terms energy: -796.945399 where: bonds (distance) C4'-P energy: -138.738 bonds (distance) P-C4' energy: -159.624 flat angles C4'-P-C4' energy: -170.404 flat angles P-C4'-P energy: -99.331 tors. eta vs tors. theta energy: -228.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2600.458055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.458055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.458055 (E_RNA) where: Base-Base interactions energy: -1812.457 where: short stacking energy: -778.730 Base-Backbone interact. energy: -4.184 local terms energy: -783.816163 where: bonds (distance) C4'-P energy: -142.948 bonds (distance) P-C4' energy: -136.143 flat angles C4'-P-C4' energy: -180.498 flat angles P-C4'-P energy: -104.083 tors. eta vs tors. theta energy: -220.144 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: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2416.286868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.286868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.286868 (E_RNA) where: Base-Base interactions energy: -1634.096 where: short stacking energy: -739.992 Base-Backbone interact. energy: -0.733 local terms energy: -781.457615 where: bonds (distance) C4'-P energy: -144.139 bonds (distance) P-C4' energy: -149.915 flat angles C4'-P-C4' energy: -173.151 flat angles P-C4'-P energy: -97.178 tors. eta vs tors. theta energy: -217.075 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: 421 Temperature: 1.250000 Total energy: -2093.693513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.693513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.693513 (E_RNA) where: Base-Base interactions energy: -1421.026 where: short stacking energy: -611.666 Base-Backbone interact. energy: -1.205 local terms energy: -671.462493 where: bonds (distance) C4'-P energy: -131.475 bonds (distance) P-C4' energy: -155.751 flat angles C4'-P-C4' energy: -148.584 flat angles P-C4'-P energy: -78.785 tors. eta vs tors. theta energy: -156.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1616.978653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.978653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.978653 (E_RNA) where: Base-Base interactions energy: -1046.801 where: short stacking energy: -478.628 Base-Backbone interact. energy: 1.855 local terms energy: -572.031758 where: bonds (distance) C4'-P energy: -137.740 bonds (distance) P-C4' energy: -119.244 flat angles C4'-P-C4' energy: -144.868 flat angles P-C4'-P energy: -77.684 tors. eta vs tors. theta energy: -92.495 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: 9 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1206.335974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.335974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.335974 (E_RNA) where: Base-Base interactions energy: -760.698 where: short stacking energy: -323.589 Base-Backbone interact. energy: 1.806 local terms energy: -447.444006 where: bonds (distance) C4'-P energy: -117.721 bonds (distance) P-C4' energy: -127.744 flat angles C4'-P-C4' energy: -111.951 flat angles P-C4'-P energy: -70.350 tors. eta vs tors. theta energy: -19.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3146.032020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.032020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.032020 (E_RNA) where: Base-Base interactions energy: -2224.686 where: short stacking energy: -942.540 Base-Backbone interact. energy: -2.714 local terms energy: -918.632080 where: bonds (distance) C4'-P energy: -170.752 bonds (distance) P-C4' energy: -158.922 flat angles C4'-P-C4' energy: -194.510 flat angles P-C4'-P energy: -124.244 tors. eta vs tors. theta energy: -270.205 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: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -3017.154803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.154803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.154803 (E_RNA) where: Base-Base interactions energy: -2099.591 where: short stacking energy: -932.153 Base-Backbone interact. energy: -0.598 local terms energy: -916.966099 where: bonds (distance) C4'-P energy: -168.107 bonds (distance) P-C4' energy: -147.040 flat angles C4'-P-C4' energy: -193.146 flat angles P-C4'-P energy: -129.243 tors. eta vs tors. theta energy: -279.430 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: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2881.740211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.740211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.740211 (E_RNA) where: Base-Base interactions energy: -1994.347 where: short stacking energy: -882.638 Base-Backbone interact. energy: -1.020 local terms energy: -886.372984 where: bonds (distance) C4'-P energy: -155.805 bonds (distance) P-C4' energy: -175.084 flat angles C4'-P-C4' energy: -184.077 flat angles P-C4'-P energy: -111.960 tors. eta vs tors. theta energy: -259.446 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: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2836.699765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.699765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.699765 (E_RNA) where: Base-Base interactions energy: -1980.720 where: short stacking energy: -837.367 Base-Backbone interact. energy: -1.794 local terms energy: -854.185532 where: bonds (distance) C4'-P energy: -159.848 bonds (distance) P-C4' energy: -151.277 flat angles C4'-P-C4' energy: -190.635 flat angles P-C4'-P energy: -105.039 tors. eta vs tors. theta energy: -247.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2700.752570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.752570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.752570 (E_RNA) where: Base-Base interactions energy: -1905.361 where: short stacking energy: -826.891 Base-Backbone interact. energy: 3.479 local terms energy: -798.869922 where: bonds (distance) C4'-P energy: -129.652 bonds (distance) P-C4' energy: -152.101 flat angles C4'-P-C4' energy: -158.684 flat angles P-C4'-P energy: -118.263 tors. eta vs tors. theta energy: -240.170 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: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2619.874604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.874604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.874604 (E_RNA) where: Base-Base interactions energy: -1826.722 where: short stacking energy: -811.326 Base-Backbone interact. energy: -2.051 local terms energy: -791.101452 where: bonds (distance) C4'-P energy: -133.292 bonds (distance) P-C4' energy: -163.837 flat angles C4'-P-C4' energy: -160.258 flat angles P-C4'-P energy: -101.319 tors. eta vs tors. theta energy: -232.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2407.265227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.265227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.265227 (E_RNA) where: Base-Base interactions energy: -1631.943 where: short stacking energy: -721.717 Base-Backbone interact. energy: 0.953 local terms energy: -776.275547 where: bonds (distance) C4'-P energy: -130.034 bonds (distance) P-C4' energy: -139.301 flat angles C4'-P-C4' energy: -156.418 flat angles P-C4'-P energy: -123.842 tors. eta vs tors. theta energy: -226.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -2071.268071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.268071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.268071 (E_RNA) where: Base-Base interactions energy: -1396.485 where: short stacking energy: -611.916 Base-Backbone interact. energy: -1.347 local terms energy: -673.436096 where: bonds (distance) C4'-P energy: -124.540 bonds (distance) P-C4' energy: -134.879 flat angles C4'-P-C4' energy: -150.819 flat angles P-C4'-P energy: -106.778 tors. eta vs tors. theta energy: -156.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1660.946175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.946175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.946175 (E_RNA) where: Base-Base interactions energy: -1080.932 where: short stacking energy: -470.938 Base-Backbone interact. energy: 1.339 local terms energy: -581.354062 where: bonds (distance) C4'-P energy: -129.249 bonds (distance) P-C4' energy: -134.895 flat angles C4'-P-C4' energy: -142.293 flat angles P-C4'-P energy: -76.295 tors. eta vs tors. theta energy: -98.622 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: 9 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1219.191390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.191390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.191390 (E_RNA) where: Base-Base interactions energy: -727.811 where: short stacking energy: -361.869 Base-Backbone interact. energy: 0.683 local terms energy: -492.063244 where: bonds (distance) C4'-P energy: -132.276 bonds (distance) P-C4' energy: -128.628 flat angles C4'-P-C4' energy: -124.617 flat angles P-C4'-P energy: -72.603 tors. eta vs tors. theta energy: -33.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3162.949381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.949381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.949381 (E_RNA) where: Base-Base interactions energy: -2243.830 where: short stacking energy: -948.255 Base-Backbone interact. energy: 2.482 local terms energy: -921.601280 where: bonds (distance) C4'-P energy: -145.288 bonds (distance) P-C4' energy: -182.526 flat angles C4'-P-C4' energy: -193.562 flat angles P-C4'-P energy: -127.260 tors. eta vs tors. theta energy: -272.966 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: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -3014.577581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.577581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.577581 (E_RNA) where: Base-Base interactions energy: -2128.893 where: short stacking energy: -903.994 Base-Backbone interact. energy: -3.041 local terms energy: -882.643203 where: bonds (distance) C4'-P energy: -159.116 bonds (distance) P-C4' energy: -158.938 flat angles C4'-P-C4' energy: -187.670 flat angles P-C4'-P energy: -119.895 tors. eta vs tors. theta energy: -257.024 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: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2886.123637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.123637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.123637 (E_RNA) where: Base-Base interactions energy: -2008.460 where: short stacking energy: -865.110 Base-Backbone interact. energy: -2.344 local terms energy: -875.320045 where: bonds (distance) C4'-P energy: -153.124 bonds (distance) P-C4' energy: -159.563 flat angles C4'-P-C4' energy: -178.024 flat angles P-C4'-P energy: -132.458 tors. eta vs tors. theta energy: -252.150 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: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2849.094217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.094217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.094217 (E_RNA) where: Base-Base interactions energy: -1986.706 where: short stacking energy: -859.203 Base-Backbone interact. energy: -4.528 local terms energy: -857.860361 where: bonds (distance) C4'-P energy: -147.748 bonds (distance) P-C4' energy: -143.602 flat angles C4'-P-C4' energy: -184.344 flat angles P-C4'-P energy: -122.936 tors. eta vs tors. theta energy: -259.231 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: 423 Temperature: 1.100000 Total energy: -2634.689800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.689800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.689800 (E_RNA) where: Base-Base interactions energy: -1850.311 where: short stacking energy: -817.598 Base-Backbone interact. energy: 5.591 local terms energy: -789.969369 where: bonds (distance) C4'-P energy: -142.578 bonds (distance) P-C4' energy: -146.969 flat angles C4'-P-C4' energy: -166.950 flat angles P-C4'-P energy: -108.282 tors. eta vs tors. theta energy: -225.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2574.051203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.051203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.051203 (E_RNA) where: Base-Base interactions energy: -1798.115 where: short stacking energy: -778.675 Base-Backbone interact. energy: -2.378 local terms energy: -773.557614 where: bonds (distance) C4'-P energy: -147.499 bonds (distance) P-C4' energy: -144.888 flat angles C4'-P-C4' energy: -169.201 flat angles P-C4'-P energy: -112.098 tors. eta vs tors. theta energy: -199.871 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: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2393.185666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.185666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.185666 (E_RNA) where: Base-Base interactions energy: -1639.576 where: short stacking energy: -732.946 Base-Backbone interact. energy: 0.107 local terms energy: -753.716684 where: bonds (distance) C4'-P energy: -145.088 bonds (distance) P-C4' energy: -141.523 flat angles C4'-P-C4' energy: -169.473 flat angles P-C4'-P energy: -92.993 tors. eta vs tors. theta energy: -204.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -2096.973237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.973237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.973237 (E_RNA) where: Base-Base interactions energy: -1486.198 where: short stacking energy: -677.973 Base-Backbone interact. energy: -0.915 local terms energy: -609.860267 where: bonds (distance) C4'-P energy: -94.202 bonds (distance) P-C4' energy: -114.351 flat angles C4'-P-C4' energy: -127.369 flat angles P-C4'-P energy: -95.405 tors. eta vs tors. theta energy: -178.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1648.149063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.149063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.149063 (E_RNA) where: Base-Base interactions energy: -1051.566 where: short stacking energy: -453.291 Base-Backbone interact. energy: -2.019 local terms energy: -594.564309 where: bonds (distance) C4'-P energy: -140.572 bonds (distance) P-C4' energy: -135.117 flat angles C4'-P-C4' energy: -148.501 flat angles P-C4'-P energy: -87.615 tors. eta vs tors. theta energy: -82.759 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: 423 Temperature: 1.350000 Total energy: -1118.774874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.774874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.774874 (E_RNA) where: Base-Base interactions energy: -661.232 where: short stacking energy: -281.315 Base-Backbone interact. energy: -4.232 local terms energy: -453.310762 where: bonds (distance) C4'-P energy: -127.583 bonds (distance) P-C4' energy: -132.936 flat angles C4'-P-C4' energy: -125.557 flat angles P-C4'-P energy: -60.839 tors. eta vs tors. theta energy: -6.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3136.548057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.548057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.548057 (E_RNA) where: Base-Base interactions energy: -2215.668 where: short stacking energy: -905.112 Base-Backbone interact. energy: -0.744 local terms energy: -920.136649 where: bonds (distance) C4'-P energy: -156.426 bonds (distance) P-C4' energy: -178.929 flat angles C4'-P-C4' energy: -198.660 flat angles P-C4'-P energy: -125.124 tors. eta vs tors. theta energy: -260.998 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: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -3014.649639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.649639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.649639 (E_RNA) where: Base-Base interactions energy: -2114.353 where: short stacking energy: -899.731 Base-Backbone interact. energy: -2.712 local terms energy: -897.585336 where: bonds (distance) C4'-P energy: -164.179 bonds (distance) P-C4' energy: -162.659 flat angles C4'-P-C4' energy: -182.331 flat angles P-C4'-P energy: -129.843 tors. eta vs tors. theta energy: -258.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2852.677850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.677850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.677850 (E_RNA) where: Base-Base interactions energy: -1978.810 where: short stacking energy: -879.517 Base-Backbone interact. energy: -4.402 local terms energy: -869.465993 where: bonds (distance) C4'-P energy: -143.818 bonds (distance) P-C4' energy: -167.782 flat angles C4'-P-C4' energy: -190.243 flat angles P-C4'-P energy: -118.926 tors. eta vs tors. theta energy: -248.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2801.939688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.939688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.939688 (E_RNA) where: Base-Base interactions energy: -1917.815 where: short stacking energy: -836.531 Base-Backbone interact. energy: -3.211 local terms energy: -880.913361 where: bonds (distance) C4'-P energy: -157.808 bonds (distance) P-C4' energy: -153.846 flat angles C4'-P-C4' energy: -190.334 flat angles P-C4'-P energy: -131.931 tors. eta vs tors. theta energy: -246.994 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: 424 Temperature: 1.100000 Total energy: -2571.104243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.104243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.104243 (E_RNA) where: Base-Base interactions energy: -1784.175 where: short stacking energy: -765.523 Base-Backbone interact. energy: 5.625 local terms energy: -792.554192 where: bonds (distance) C4'-P energy: -156.955 bonds (distance) P-C4' energy: -157.872 flat angles C4'-P-C4' energy: -151.580 flat angles P-C4'-P energy: -110.443 tors. eta vs tors. theta energy: -215.705 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: 6 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2594.364081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.364081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.364081 (E_RNA) where: Base-Base interactions energy: -1810.569 where: short stacking energy: -769.249 Base-Backbone interact. energy: -0.261 local terms energy: -783.534009 where: bonds (distance) C4'-P energy: -132.076 bonds (distance) P-C4' energy: -150.915 flat angles C4'-P-C4' energy: -167.711 flat angles P-C4'-P energy: -109.080 tors. eta vs tors. theta energy: -223.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2400.512927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.512927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.512927 (E_RNA) where: Base-Base interactions energy: -1646.407 where: short stacking energy: -729.485 Base-Backbone interact. energy: -2.472 local terms energy: -751.634496 where: bonds (distance) C4'-P energy: -151.906 bonds (distance) P-C4' energy: -133.593 flat angles C4'-P-C4' energy: -166.270 flat angles P-C4'-P energy: -96.050 tors. eta vs tors. theta energy: -203.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -2132.313261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.313261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.313261 (E_RNA) where: Base-Base interactions energy: -1455.689 where: short stacking energy: -647.304 Base-Backbone interact. energy: -3.697 local terms energy: -672.927699 where: bonds (distance) C4'-P energy: -139.146 bonds (distance) P-C4' energy: -127.688 flat angles C4'-P-C4' energy: -156.913 flat angles P-C4'-P energy: -89.396 tors. eta vs tors. theta energy: -159.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1630.631331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.631331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.631331 (E_RNA) where: Base-Base interactions energy: -1068.163 where: short stacking energy: -474.792 Base-Backbone interact. energy: 1.289 local terms energy: -563.757050 where: bonds (distance) C4'-P energy: -132.603 bonds (distance) P-C4' energy: -121.185 flat angles C4'-P-C4' energy: -130.431 flat angles P-C4'-P energy: -74.936 tors. eta vs tors. theta energy: -104.602 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: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1182.166611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.166611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.166611 (E_RNA) where: Base-Base interactions energy: -718.247 where: short stacking energy: -357.374 Base-Backbone interact. energy: -3.309 local terms energy: -460.610409 where: bonds (distance) C4'-P energy: -137.206 bonds (distance) P-C4' energy: -118.290 flat angles C4'-P-C4' energy: -102.992 flat angles P-C4'-P energy: -80.429 tors. eta vs tors. theta energy: -21.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3169.228836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.228836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.228836 (E_RNA) where: Base-Base interactions energy: -2220.253 where: short stacking energy: -938.844 Base-Backbone interact. energy: -5.994 local terms energy: -942.981989 where: bonds (distance) C4'-P energy: -167.950 bonds (distance) P-C4' energy: -173.823 flat angles C4'-P-C4' energy: -196.996 flat angles P-C4'-P energy: -135.106 tors. eta vs tors. theta energy: -269.107 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: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -3028.180606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.180606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.180606 (E_RNA) where: Base-Base interactions energy: -2099.932 where: short stacking energy: -903.623 Base-Backbone interact. energy: -0.229 local terms energy: -928.019867 where: bonds (distance) C4'-P energy: -163.930 bonds (distance) P-C4' energy: -164.979 flat angles C4'-P-C4' energy: -199.664 flat angles P-C4'-P energy: -130.053 tors. eta vs tors. theta energy: -269.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2853.595260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.595260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.595260 (E_RNA) where: Base-Base interactions energy: -1976.045 where: short stacking energy: -862.213 Base-Backbone interact. energy: 0.043 local terms energy: -877.593970 where: bonds (distance) C4'-P energy: -159.235 bonds (distance) P-C4' energy: -171.290 flat angles C4'-P-C4' energy: -184.948 flat angles P-C4'-P energy: -114.648 tors. eta vs tors. theta energy: -247.473 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: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2806.787177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.787177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.787177 (E_RNA) where: Base-Base interactions energy: -1959.181 where: short stacking energy: -870.889 Base-Backbone interact. energy: -0.959 local terms energy: -846.647912 where: bonds (distance) C4'-P energy: -150.804 bonds (distance) P-C4' energy: -153.339 flat angles C4'-P-C4' energy: -187.063 flat angles P-C4'-P energy: -108.721 tors. eta vs tors. theta energy: -246.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2626.478136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.478136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.478136 (E_RNA) where: Base-Base interactions energy: -1808.382 where: short stacking energy: -771.905 Base-Backbone interact. energy: 0.690 local terms energy: -818.785467 where: bonds (distance) C4'-P energy: -147.315 bonds (distance) P-C4' energy: -162.915 flat angles C4'-P-C4' energy: -172.154 flat angles P-C4'-P energy: -114.223 tors. eta vs tors. theta energy: -222.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2573.924320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.924320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.924320 (E_RNA) where: Base-Base interactions energy: -1808.094 where: short stacking energy: -780.410 Base-Backbone interact. energy: -6.432 local terms energy: -759.397905 where: bonds (distance) C4'-P energy: -130.579 bonds (distance) P-C4' energy: -134.547 flat angles C4'-P-C4' energy: -170.016 flat angles P-C4'-P energy: -102.422 tors. eta vs tors. theta energy: -221.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2343.785815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.785815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.785815 (E_RNA) where: Base-Base interactions energy: -1594.390 where: short stacking energy: -709.656 Base-Backbone interact. energy: -1.773 local terms energy: -747.623287 where: bonds (distance) C4'-P energy: -132.322 bonds (distance) P-C4' energy: -154.149 flat angles C4'-P-C4' energy: -170.160 flat angles P-C4'-P energy: -100.893 tors. eta vs tors. theta energy: -190.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -2067.513854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.513854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.513854 (E_RNA) where: Base-Base interactions energy: -1405.869 where: short stacking energy: -632.763 Base-Backbone interact. energy: 0.129 local terms energy: -661.773558 where: bonds (distance) C4'-P energy: -106.663 bonds (distance) P-C4' energy: -146.512 flat angles C4'-P-C4' energy: -141.247 flat angles P-C4'-P energy: -99.082 tors. eta vs tors. theta energy: -168.271 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: 9, replica: 10 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1641.384860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.384860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.384860 (E_RNA) where: Base-Base interactions energy: -1088.643 where: short stacking energy: -498.415 Base-Backbone interact. energy: 4.312 local terms energy: -557.053539 where: bonds (distance) C4'-P energy: -130.952 bonds (distance) P-C4' energy: -131.233 flat angles C4'-P-C4' energy: -128.342 flat angles P-C4'-P energy: -81.852 tors. eta vs tors. theta energy: -84.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1204.440205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.440205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.440205 (E_RNA) where: Base-Base interactions energy: -718.210 where: short stacking energy: -351.471 Base-Backbone interact. energy: 1.220 local terms energy: -487.449951 where: bonds (distance) C4'-P energy: -124.088 bonds (distance) P-C4' energy: -133.184 flat angles C4'-P-C4' energy: -118.809 flat angles P-C4'-P energy: -69.246 tors. eta vs tors. theta energy: -42.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3135.407549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.407549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.407549 (E_RNA) where: Base-Base interactions energy: -2210.776 where: short stacking energy: -925.393 Base-Backbone interact. energy: -5.557 local terms energy: -919.074183 where: bonds (distance) C4'-P energy: -161.771 bonds (distance) P-C4' energy: -156.196 flat angles C4'-P-C4' energy: -200.750 flat angles P-C4'-P energy: -129.792 tors. eta vs tors. theta energy: -270.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3043.528756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.528756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.528756 (E_RNA) where: Base-Base interactions energy: -2122.028 where: short stacking energy: -917.894 Base-Backbone interact. energy: 1.712 local terms energy: -923.212104 where: bonds (distance) C4'-P energy: -171.224 bonds (distance) P-C4' energy: -151.281 flat angles C4'-P-C4' energy: -199.016 flat angles P-C4'-P energy: -131.515 tors. eta vs tors. theta energy: -270.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2897.944806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.944806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.944806 (E_RNA) where: Base-Base interactions energy: -2014.362 where: short stacking energy: -871.346 Base-Backbone interact. energy: -2.704 local terms energy: -880.878556 where: bonds (distance) C4'-P energy: -152.942 bonds (distance) P-C4' energy: -155.100 flat angles C4'-P-C4' energy: -182.256 flat angles P-C4'-P energy: -138.732 tors. eta vs tors. theta energy: -251.849 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: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2800.833838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.833838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.833838 (E_RNA) where: Base-Base interactions energy: -1943.961 where: short stacking energy: -847.899 Base-Backbone interact. energy: -2.005 local terms energy: -854.867692 where: bonds (distance) C4'-P energy: -158.193 bonds (distance) P-C4' energy: -148.905 flat angles C4'-P-C4' energy: -175.694 flat angles P-C4'-P energy: -117.251 tors. eta vs tors. theta energy: -254.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2659.558173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.558173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.558173 (E_RNA) where: Base-Base interactions energy: -1861.228 where: short stacking energy: -787.240 Base-Backbone interact. energy: 5.555 local terms energy: -803.885785 where: bonds (distance) C4'-P energy: -142.577 bonds (distance) P-C4' energy: -145.808 flat angles C4'-P-C4' energy: -173.126 flat angles P-C4'-P energy: -124.196 tors. eta vs tors. theta energy: -218.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2580.596121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.596121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.596121 (E_RNA) where: Base-Base interactions energy: -1774.146 where: short stacking energy: -789.846 Base-Backbone interact. energy: 1.066 local terms energy: -807.516079 where: bonds (distance) C4'-P energy: -149.507 bonds (distance) P-C4' energy: -167.943 flat angles C4'-P-C4' energy: -167.838 flat angles P-C4'-P energy: -102.041 tors. eta vs tors. theta energy: -220.186 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: 7, replica: 2 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2373.236305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.236305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.236305 (E_RNA) where: Base-Base interactions energy: -1630.490 where: short stacking energy: -709.448 Base-Backbone interact. energy: -4.626 local terms energy: -738.119603 where: bonds (distance) C4'-P energy: -120.463 bonds (distance) P-C4' energy: -151.773 flat angles C4'-P-C4' energy: -166.017 flat angles P-C4'-P energy: -96.757 tors. eta vs tors. theta energy: -203.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -2097.459010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.459010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.459010 (E_RNA) where: Base-Base interactions energy: -1441.562 where: short stacking energy: -670.191 Base-Backbone interact. energy: -3.804 local terms energy: -652.093346 where: bonds (distance) C4'-P energy: -121.515 bonds (distance) P-C4' energy: -121.130 flat angles C4'-P-C4' energy: -161.766 flat angles P-C4'-P energy: -89.186 tors. eta vs tors. theta energy: -158.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1599.676660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.676660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.676660 (E_RNA) where: Base-Base interactions energy: -1044.635 where: short stacking energy: -487.662 Base-Backbone interact. energy: 0.412 local terms energy: -555.453181 where: bonds (distance) C4'-P energy: -127.806 bonds (distance) P-C4' energy: -129.009 flat angles C4'-P-C4' energy: -140.823 flat angles P-C4'-P energy: -72.137 tors. eta vs tors. theta energy: -85.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1132.759492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.759492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.759492 (E_RNA) where: Base-Base interactions energy: -627.551 where: short stacking energy: -303.071 Base-Backbone interact. energy: -0.669 local terms energy: -504.540258 where: bonds (distance) C4'-P energy: -126.948 bonds (distance) P-C4' energy: -142.149 flat angles C4'-P-C4' energy: -146.039 flat angles P-C4'-P energy: -69.246 tors. eta vs tors. theta energy: -20.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3142.563554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.563554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.563554 (E_RNA) where: Base-Base interactions energy: -2186.994 where: short stacking energy: -941.532 Base-Backbone interact. energy: -4.435 local terms energy: -951.134554 where: bonds (distance) C4'-P energy: -175.495 bonds (distance) P-C4' energy: -163.573 flat angles C4'-P-C4' energy: -200.652 flat angles P-C4'-P energy: -139.598 tors. eta vs tors. theta energy: -271.816 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: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -3018.598513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.598513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.598513 (E_RNA) where: Base-Base interactions energy: -2098.471 where: short stacking energy: -924.252 Base-Backbone interact. energy: -3.277 local terms energy: -916.850487 where: bonds (distance) C4'-P energy: -154.316 bonds (distance) P-C4' energy: -152.878 flat angles C4'-P-C4' energy: -199.445 flat angles P-C4'-P energy: -127.246 tors. eta vs tors. theta energy: -282.965 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: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2900.072974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.072974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.072974 (E_RNA) where: Base-Base interactions energy: -2027.773 where: short stacking energy: -861.417 Base-Backbone interact. energy: -1.088 local terms energy: -871.211488 where: bonds (distance) C4'-P energy: -143.438 bonds (distance) P-C4' energy: -149.659 flat angles C4'-P-C4' energy: -187.544 flat angles P-C4'-P energy: -128.243 tors. eta vs tors. theta energy: -262.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2785.454919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.454919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.454919 (E_RNA) where: Base-Base interactions energy: -1904.823 where: short stacking energy: -846.153 Base-Backbone interact. energy: -3.520 local terms energy: -877.111864 where: bonds (distance) C4'-P energy: -146.176 bonds (distance) P-C4' energy: -151.840 flat angles C4'-P-C4' energy: -189.732 flat angles P-C4'-P energy: -128.999 tors. eta vs tors. theta energy: -260.365 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: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2621.076112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.076112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.076112 (E_RNA) where: Base-Base interactions energy: -1844.896 where: short stacking energy: -787.228 Base-Backbone interact. energy: 1.016 local terms energy: -777.196124 where: bonds (distance) C4'-P energy: -139.255 bonds (distance) P-C4' energy: -152.653 flat angles C4'-P-C4' energy: -173.955 flat angles P-C4'-P energy: -103.222 tors. eta vs tors. theta energy: -208.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2565.771771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.771771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.771771 (E_RNA) where: Base-Base interactions energy: -1806.786 where: short stacking energy: -772.857 Base-Backbone interact. energy: -3.341 local terms energy: -755.644146 where: bonds (distance) C4'-P energy: -135.379 bonds (distance) P-C4' energy: -158.552 flat angles C4'-P-C4' energy: -165.449 flat angles P-C4'-P energy: -91.291 tors. eta vs tors. theta energy: -204.973 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: 2 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2298.034188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.034188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.034188 (E_RNA) where: Base-Base interactions energy: -1543.450 where: short stacking energy: -706.219 Base-Backbone interact. energy: -2.458 local terms energy: -752.126504 where: bonds (distance) C4'-P energy: -137.018 bonds (distance) P-C4' energy: -148.061 flat angles C4'-P-C4' energy: -171.540 flat angles P-C4'-P energy: -113.085 tors. eta vs tors. theta energy: -182.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -2019.066821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.066821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.066821 (E_RNA) where: Base-Base interactions energy: -1367.998 where: short stacking energy: -608.969 Base-Backbone interact. energy: -1.118 local terms energy: -649.950876 where: bonds (distance) C4'-P energy: -130.674 bonds (distance) P-C4' energy: -133.674 flat angles C4'-P-C4' energy: -135.745 flat angles P-C4'-P energy: -102.837 tors. eta vs tors. theta energy: -147.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1609.597104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.597104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.597104 (E_RNA) where: Base-Base interactions energy: -1034.389 where: short stacking energy: -445.497 Base-Backbone interact. energy: -0.607 local terms energy: -574.601472 where: bonds (distance) C4'-P energy: -151.222 bonds (distance) P-C4' energy: -133.352 flat angles C4'-P-C4' energy: -137.473 flat angles P-C4'-P energy: -74.406 tors. eta vs tors. theta energy: -78.149 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: 9 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1143.216881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.216881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.216881 (E_RNA) where: Base-Base interactions energy: -704.782 where: short stacking energy: -331.142 Base-Backbone interact. energy: -2.600 local terms energy: -435.834690 where: bonds (distance) C4'-P energy: -113.638 bonds (distance) P-C4' energy: -139.428 flat angles C4'-P-C4' energy: -108.984 flat angles P-C4'-P energy: -57.227 tors. eta vs tors. theta energy: -16.557 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: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3162.427010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.427010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.427010 (E_RNA) where: Base-Base interactions energy: -2225.367 where: short stacking energy: -946.841 Base-Backbone interact. energy: -5.479 local terms energy: -931.581763 where: bonds (distance) C4'-P energy: -163.701 bonds (distance) P-C4' energy: -158.160 flat angles C4'-P-C4' energy: -206.377 flat angles P-C4'-P energy: -126.728 tors. eta vs tors. theta energy: -276.615 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: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3018.502250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.502250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.502250 (E_RNA) where: Base-Base interactions energy: -2114.942 where: short stacking energy: -918.517 Base-Backbone interact. energy: 5.214 local terms energy: -908.774121 where: bonds (distance) C4'-P energy: -158.503 bonds (distance) P-C4' energy: -160.124 flat angles C4'-P-C4' energy: -194.384 flat angles P-C4'-P energy: -125.228 tors. eta vs tors. theta energy: -270.536 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: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2926.998938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.998938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.998938 (E_RNA) where: Base-Base interactions energy: -2049.694 where: short stacking energy: -918.554 Base-Backbone interact. energy: -0.213 local terms energy: -877.092511 where: bonds (distance) C4'-P energy: -135.574 bonds (distance) P-C4' energy: -159.129 flat angles C4'-P-C4' energy: -191.249 flat angles P-C4'-P energy: -128.311 tors. eta vs tors. theta energy: -262.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2764.462123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.462123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.462123 (E_RNA) where: Base-Base interactions energy: -1919.312 where: short stacking energy: -850.973 Base-Backbone interact. energy: -3.118 local terms energy: -842.031957 where: bonds (distance) C4'-P energy: -160.479 bonds (distance) P-C4' energy: -160.714 flat angles C4'-P-C4' energy: -173.208 flat angles P-C4'-P energy: -107.512 tors. eta vs tors. theta energy: -240.119 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: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2638.475436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.475436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.475436 (E_RNA) where: Base-Base interactions energy: -1863.991 where: short stacking energy: -824.453 Base-Backbone interact. energy: -1.504 local terms energy: -772.980007 where: bonds (distance) C4'-P energy: -132.740 bonds (distance) P-C4' energy: -149.607 flat angles C4'-P-C4' energy: -178.129 flat angles P-C4'-P energy: -91.089 tors. eta vs tors. theta energy: -221.415 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: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2570.526317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.526317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.526317 (E_RNA) where: Base-Base interactions energy: -1769.007 where: short stacking energy: -770.448 Base-Backbone interact. energy: 8.971 local terms energy: -810.490790 where: bonds (distance) C4'-P energy: -150.482 bonds (distance) P-C4' energy: -144.949 flat angles C4'-P-C4' energy: -177.180 flat angles P-C4'-P energy: -121.561 tors. eta vs tors. theta energy: -216.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2319.195790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.195790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.195790 (E_RNA) where: Base-Base interactions energy: -1609.909 where: short stacking energy: -700.393 Base-Backbone interact. energy: -1.335 local terms energy: -707.951731 where: bonds (distance) C4'-P energy: -122.337 bonds (distance) P-C4' energy: -129.706 flat angles C4'-P-C4' energy: -161.248 flat angles P-C4'-P energy: -99.759 tors. eta vs tors. theta energy: -194.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -2024.146865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.146865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.146865 (E_RNA) where: Base-Base interactions energy: -1362.825 where: short stacking energy: -632.796 Base-Backbone interact. energy: -0.923 local terms energy: -660.399082 where: bonds (distance) C4'-P energy: -116.123 bonds (distance) P-C4' energy: -124.649 flat angles C4'-P-C4' energy: -154.073 flat angles P-C4'-P energy: -94.576 tors. eta vs tors. theta energy: -170.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1649.000407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.000407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.000407 (E_RNA) where: Base-Base interactions energy: -1079.300 where: short stacking energy: -475.993 Base-Backbone interact. energy: -2.131 local terms energy: -567.568928 where: bonds (distance) C4'-P energy: -144.137 bonds (distance) P-C4' energy: -135.305 flat angles C4'-P-C4' energy: -139.136 flat angles P-C4'-P energy: -79.013 tors. eta vs tors. theta energy: -69.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1132.122039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.122039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.122039 (E_RNA) where: Base-Base interactions energy: -658.230 where: short stacking energy: -308.896 Base-Backbone interact. energy: -1.415 local terms energy: -472.477459 where: bonds (distance) C4'-P energy: -128.749 bonds (distance) P-C4' energy: -138.140 flat angles C4'-P-C4' energy: -128.853 flat angles P-C4'-P energy: -62.110 tors. eta vs tors. theta energy: -14.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3148.293351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.293351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.293351 (E_RNA) where: Base-Base interactions energy: -2233.575 where: short stacking energy: -944.861 Base-Backbone interact. energy: -4.633 local terms energy: -910.085239 where: bonds (distance) C4'-P energy: -159.796 bonds (distance) P-C4' energy: -152.391 flat angles C4'-P-C4' energy: -194.718 flat angles P-C4'-P energy: -134.805 tors. eta vs tors. theta energy: -268.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -2987.269628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.269628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.269628 (E_RNA) where: Base-Base interactions energy: -2107.398 where: short stacking energy: -923.568 Base-Backbone interact. energy: -2.804 local terms energy: -877.067467 where: bonds (distance) C4'-P energy: -158.997 bonds (distance) P-C4' energy: -146.044 flat angles C4'-P-C4' energy: -186.344 flat angles P-C4'-P energy: -124.632 tors. eta vs tors. theta energy: -261.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2946.915072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.915072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.915072 (E_RNA) where: Base-Base interactions energy: -2042.698 where: short stacking energy: -884.189 Base-Backbone interact. energy: -6.904 local terms energy: -897.312333 where: bonds (distance) C4'-P energy: -152.228 bonds (distance) P-C4' energy: -155.799 flat angles C4'-P-C4' energy: -191.080 flat angles P-C4'-P energy: -127.080 tors. eta vs tors. theta energy: -271.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2768.154920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.154920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.154920 (E_RNA) where: Base-Base interactions energy: -1909.600 where: short stacking energy: -839.297 Base-Backbone interact. energy: -3.843 local terms energy: -854.711412 where: bonds (distance) C4'-P energy: -153.208 bonds (distance) P-C4' energy: -162.191 flat angles C4'-P-C4' energy: -180.519 flat angles P-C4'-P energy: -116.555 tors. eta vs tors. theta energy: -242.238 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: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2670.310329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.310329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.310329 (E_RNA) where: Base-Base interactions energy: -1877.447 where: short stacking energy: -823.611 Base-Backbone interact. energy: -1.805 local terms energy: -791.058068 where: bonds (distance) C4'-P energy: -141.260 bonds (distance) P-C4' energy: -127.711 flat angles C4'-P-C4' energy: -180.975 flat angles P-C4'-P energy: -119.976 tors. eta vs tors. theta energy: -221.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2540.130680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.130680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.130680 (E_RNA) where: Base-Base interactions energy: -1782.651 where: short stacking energy: -743.094 Base-Backbone interact. energy: 5.918 local terms energy: -763.397427 where: bonds (distance) C4'-P energy: -132.328 bonds (distance) P-C4' energy: -131.352 flat angles C4'-P-C4' energy: -173.609 flat angles P-C4'-P energy: -113.322 tors. eta vs tors. theta energy: -212.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2398.803024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.803024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.803024 (E_RNA) where: Base-Base interactions energy: -1661.239 where: short stacking energy: -729.363 Base-Backbone interact. energy: -3.397 local terms energy: -734.166933 where: bonds (distance) C4'-P energy: -148.013 bonds (distance) P-C4' energy: -133.183 flat angles C4'-P-C4' energy: -157.491 flat angles P-C4'-P energy: -93.188 tors. eta vs tors. theta energy: -202.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -2019.661299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.661299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.661299 (E_RNA) where: Base-Base interactions energy: -1371.365 where: short stacking energy: -615.610 Base-Backbone interact. energy: 3.120 local terms energy: -651.415882 where: bonds (distance) C4'-P energy: -139.303 bonds (distance) P-C4' energy: -107.685 flat angles C4'-P-C4' energy: -143.622 flat angles P-C4'-P energy: -95.440 tors. eta vs tors. theta energy: -165.366 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: 429 Temperature: 1.300000 Total energy: -1627.337121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.337121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.337121 (E_RNA) where: Base-Base interactions energy: -1035.423 where: short stacking energy: -478.268 Base-Backbone interact. energy: 2.487 local terms energy: -594.402008 where: bonds (distance) C4'-P energy: -140.444 bonds (distance) P-C4' energy: -136.016 flat angles C4'-P-C4' energy: -141.861 flat angles P-C4'-P energy: -84.973 tors. eta vs tors. theta energy: -91.109 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: 429 Temperature: 1.350000 Total energy: -1217.627036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.627036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.627036 (E_RNA) where: Base-Base interactions energy: -726.397 where: short stacking energy: -343.622 Base-Backbone interact. energy: 1.117 local terms energy: -492.347808 where: bonds (distance) C4'-P energy: -124.937 bonds (distance) P-C4' energy: -119.492 flat angles C4'-P-C4' energy: -137.627 flat angles P-C4'-P energy: -69.359 tors. eta vs tors. theta energy: -40.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3122.398152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.398152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.398152 (E_RNA) where: Base-Base interactions energy: -2180.361 where: short stacking energy: -923.608 Base-Backbone interact. energy: -0.792 local terms energy: -941.244714 where: bonds (distance) C4'-P energy: -165.946 bonds (distance) P-C4' energy: -177.490 flat angles C4'-P-C4' energy: -192.113 flat angles P-C4'-P energy: -133.991 tors. eta vs tors. theta energy: -271.705 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: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -3028.343675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.343675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.343675 (E_RNA) where: Base-Base interactions energy: -2133.214 where: short stacking energy: -931.791 Base-Backbone interact. energy: -3.258 local terms energy: -891.871663 where: bonds (distance) C4'-P energy: -149.380 bonds (distance) P-C4' energy: -141.070 flat angles C4'-P-C4' energy: -193.991 flat angles P-C4'-P energy: -138.378 tors. eta vs tors. theta energy: -269.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2951.956094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.956094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.956094 (E_RNA) where: Base-Base interactions energy: -2082.763 where: short stacking energy: -886.816 Base-Backbone interact. energy: -5.805 local terms energy: -863.388002 where: bonds (distance) C4'-P energy: -155.441 bonds (distance) P-C4' energy: -147.309 flat angles C4'-P-C4' energy: -176.766 flat angles P-C4'-P energy: -128.827 tors. eta vs tors. theta energy: -255.046 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: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2756.294428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.294428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.294428 (E_RNA) where: Base-Base interactions energy: -1912.481 where: short stacking energy: -840.541 Base-Backbone interact. energy: -3.411 local terms energy: -840.402101 where: bonds (distance) C4'-P energy: -149.284 bonds (distance) P-C4' energy: -151.731 flat angles C4'-P-C4' energy: -188.118 flat angles P-C4'-P energy: -119.337 tors. eta vs tors. theta energy: -231.932 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: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2679.381134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.381134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.381134 (E_RNA) where: Base-Base interactions energy: -1887.116 where: short stacking energy: -832.581 Base-Backbone interact. energy: -3.417 local terms energy: -788.847684 where: bonds (distance) C4'-P energy: -145.568 bonds (distance) P-C4' energy: -136.173 flat angles C4'-P-C4' energy: -174.256 flat angles P-C4'-P energy: -104.434 tors. eta vs tors. theta energy: -228.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2620.416150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.416150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.416150 (E_RNA) where: Base-Base interactions energy: -1847.242 where: short stacking energy: -755.618 Base-Backbone interact. energy: 1.794 local terms energy: -774.967976 where: bonds (distance) C4'-P energy: -144.415 bonds (distance) P-C4' energy: -162.795 flat angles C4'-P-C4' energy: -158.376 flat angles P-C4'-P energy: -99.290 tors. eta vs tors. theta energy: -210.092 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: 430 Temperature: 1.200000 Total energy: -2356.120401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.120401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.120401 (E_RNA) where: Base-Base interactions energy: -1617.906 where: short stacking energy: -709.019 Base-Backbone interact. energy: -3.952 local terms energy: -734.261974 where: bonds (distance) C4'-P energy: -135.121 bonds (distance) P-C4' energy: -142.196 flat angles C4'-P-C4' energy: -154.168 flat angles P-C4'-P energy: -99.516 tors. eta vs tors. theta energy: -203.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -2103.538087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.538087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.538087 (E_RNA) where: Base-Base interactions energy: -1411.253 where: short stacking energy: -641.653 Base-Backbone interact. energy: -3.556 local terms energy: -688.729352 where: bonds (distance) C4'-P energy: -114.980 bonds (distance) P-C4' energy: -140.225 flat angles C4'-P-C4' energy: -165.879 flat angles P-C4'-P energy: -91.579 tors. eta vs tors. theta energy: -176.066 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: 10 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1663.295501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.295501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.295501 (E_RNA) where: Base-Base interactions energy: -1108.048 where: short stacking energy: -505.656 Base-Backbone interact. energy: -0.305 local terms energy: -554.943316 where: bonds (distance) C4'-P energy: -127.513 bonds (distance) P-C4' energy: -119.694 flat angles C4'-P-C4' energy: -155.038 flat angles P-C4'-P energy: -60.258 tors. eta vs tors. theta energy: -92.441 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: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1187.230284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.230284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.230284 (E_RNA) where: Base-Base interactions energy: -735.790 where: short stacking energy: -344.572 Base-Backbone interact. energy: 3.396 local terms energy: -454.835490 where: bonds (distance) C4'-P energy: -125.835 bonds (distance) P-C4' energy: -136.659 flat angles C4'-P-C4' energy: -111.257 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -31.397 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: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3118.959640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.959640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.959640 (E_RNA) where: Base-Base interactions energy: -2172.630 where: short stacking energy: -931.112 Base-Backbone interact. energy: -2.092 local terms energy: -944.237547 where: bonds (distance) C4'-P energy: -172.151 bonds (distance) P-C4' energy: -158.687 flat angles C4'-P-C4' energy: -204.953 flat angles P-C4'-P energy: -133.408 tors. eta vs tors. theta energy: -275.039 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: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2993.728403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.728403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.728403 (E_RNA) where: Base-Base interactions energy: -2092.334 where: short stacking energy: -892.229 Base-Backbone interact. energy: -0.149 local terms energy: -901.245686 where: bonds (distance) C4'-P energy: -156.692 bonds (distance) P-C4' energy: -160.155 flat angles C4'-P-C4' energy: -196.076 flat angles P-C4'-P energy: -116.826 tors. eta vs tors. theta energy: -271.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2898.076313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.076313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.076313 (E_RNA) where: Base-Base interactions energy: -2029.414 where: short stacking energy: -846.398 Base-Backbone interact. energy: -5.406 local terms energy: -863.256064 where: bonds (distance) C4'-P energy: -155.394 bonds (distance) P-C4' energy: -161.927 flat angles C4'-P-C4' energy: -164.894 flat angles P-C4'-P energy: -127.150 tors. eta vs tors. theta energy: -253.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2757.517873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.517873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.517873 (E_RNA) where: Base-Base interactions energy: -1950.620 where: short stacking energy: -861.595 Base-Backbone interact. energy: -0.909 local terms energy: -805.988343 where: bonds (distance) C4'-P energy: -139.273 bonds (distance) P-C4' energy: -148.266 flat angles C4'-P-C4' energy: -172.291 flat angles P-C4'-P energy: -105.619 tors. eta vs tors. theta energy: -240.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2682.536654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.536654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.536654 (E_RNA) where: Base-Base interactions energy: -1871.178 where: short stacking energy: -831.176 Base-Backbone interact. energy: -1.679 local terms energy: -809.679757 where: bonds (distance) C4'-P energy: -152.280 bonds (distance) P-C4' energy: -136.301 flat angles C4'-P-C4' energy: -179.844 flat angles P-C4'-P energy: -100.910 tors. eta vs tors. theta energy: -240.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2582.593663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.593663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.593663 (E_RNA) where: Base-Base interactions energy: -1790.346 where: short stacking energy: -759.873 Base-Backbone interact. energy: 0.638 local terms energy: -792.884996 where: bonds (distance) C4'-P energy: -118.908 bonds (distance) P-C4' energy: -157.516 flat angles C4'-P-C4' energy: -185.176 flat angles P-C4'-P energy: -105.330 tors. eta vs tors. theta energy: -225.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2362.348543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.348543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.348543 (E_RNA) where: Base-Base interactions energy: -1667.042 where: short stacking energy: -726.029 Base-Backbone interact. energy: 2.070 local terms energy: -697.377405 where: bonds (distance) C4'-P energy: -116.256 bonds (distance) P-C4' energy: -130.326 flat angles C4'-P-C4' energy: -162.301 flat angles P-C4'-P energy: -94.660 tors. eta vs tors. theta energy: -193.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -2134.480475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.480475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.480475 (E_RNA) where: Base-Base interactions energy: -1434.899 where: short stacking energy: -633.507 Base-Backbone interact. energy: -5.013 local terms energy: -694.568073 where: bonds (distance) C4'-P energy: -121.792 bonds (distance) P-C4' energy: -145.180 flat angles C4'-P-C4' energy: -156.882 flat angles P-C4'-P energy: -108.778 tors. eta vs tors. theta energy: -161.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1633.232894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.232894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.232894 (E_RNA) where: Base-Base interactions energy: -1045.694 where: short stacking energy: -462.626 Base-Backbone interact. energy: -3.677 local terms energy: -583.861680 where: bonds (distance) C4'-P energy: -144.119 bonds (distance) P-C4' energy: -130.265 flat angles C4'-P-C4' energy: -143.895 flat angles P-C4'-P energy: -92.337 tors. eta vs tors. theta energy: -73.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1185.490447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.490447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.490447 (E_RNA) where: Base-Base interactions energy: -705.208 where: short stacking energy: -337.287 Base-Backbone interact. energy: -1.497 local terms energy: -478.785437 where: bonds (distance) C4'-P energy: -139.187 bonds (distance) P-C4' energy: -122.588 flat angles C4'-P-C4' energy: -110.875 flat angles P-C4'-P energy: -76.262 tors. eta vs tors. theta energy: -29.873 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: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3121.890177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.890177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.890177 (E_RNA) where: Base-Base interactions energy: -2188.822 where: short stacking energy: -936.598 Base-Backbone interact. energy: -3.740 local terms energy: -929.328311 where: bonds (distance) C4'-P energy: -170.904 bonds (distance) P-C4' energy: -168.473 flat angles C4'-P-C4' energy: -190.566 flat angles P-C4'-P energy: -135.207 tors. eta vs tors. theta energy: -264.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3032.330508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.330508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.330508 (E_RNA) where: Base-Base interactions energy: -2106.988 where: short stacking energy: -939.145 Base-Backbone interact. energy: -2.330 local terms energy: -923.012151 where: bonds (distance) C4'-P energy: -168.716 bonds (distance) P-C4' energy: -150.121 flat angles C4'-P-C4' energy: -186.742 flat angles P-C4'-P energy: -138.577 tors. eta vs tors. theta energy: -278.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -2883.169226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.169226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.169226 (E_RNA) where: Base-Base interactions energy: -2045.158 where: short stacking energy: -853.056 Base-Backbone interact. energy: -4.878 local terms energy: -833.132923 where: bonds (distance) C4'-P energy: -149.306 bonds (distance) P-C4' energy: -147.791 flat angles C4'-P-C4' energy: -175.266 flat angles P-C4'-P energy: -115.766 tors. eta vs tors. theta energy: -245.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2839.136496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.136496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.136496 (E_RNA) where: Base-Base interactions energy: -1968.175 where: short stacking energy: -858.179 Base-Backbone interact. energy: -3.108 local terms energy: -867.853009 where: bonds (distance) C4'-P energy: -157.793 bonds (distance) P-C4' energy: -157.849 flat angles C4'-P-C4' energy: -174.959 flat angles P-C4'-P energy: -131.521 tors. eta vs tors. theta energy: -245.730 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: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2688.116885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.116885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.116885 (E_RNA) where: Base-Base interactions energy: -1906.546 where: short stacking energy: -832.215 Base-Backbone interact. energy: 3.384 local terms energy: -784.954876 where: bonds (distance) C4'-P energy: -134.670 bonds (distance) P-C4' energy: -129.627 flat angles C4'-P-C4' energy: -180.514 flat angles P-C4'-P energy: -114.212 tors. eta vs tors. theta energy: -225.932 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: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2551.596324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.596324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.596324 (E_RNA) where: Base-Base interactions energy: -1758.789 where: short stacking energy: -756.781 Base-Backbone interact. energy: 2.755 local terms energy: -795.563115 where: bonds (distance) C4'-P energy: -138.532 bonds (distance) P-C4' energy: -157.000 flat angles C4'-P-C4' energy: -173.534 flat angles P-C4'-P energy: -115.726 tors. eta vs tors. theta energy: -210.771 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: 432 Temperature: 1.200000 Total energy: -2384.996997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.996997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.996997 (E_RNA) where: Base-Base interactions energy: -1653.392 where: short stacking energy: -725.760 Base-Backbone interact. energy: -1.064 local terms energy: -730.541398 where: bonds (distance) C4'-P energy: -119.753 bonds (distance) P-C4' energy: -164.389 flat angles C4'-P-C4' energy: -145.762 flat angles P-C4'-P energy: -94.635 tors. eta vs tors. theta energy: -206.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -2069.715109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.715109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.715109 (E_RNA) where: Base-Base interactions energy: -1411.756 where: short stacking energy: -630.846 Base-Backbone interact. energy: 0.458 local terms energy: -658.416835 where: bonds (distance) C4'-P energy: -114.173 bonds (distance) P-C4' energy: -146.963 flat angles C4'-P-C4' energy: -147.497 flat angles P-C4'-P energy: -97.478 tors. eta vs tors. theta energy: -152.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1576.709800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.709800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.709800 (E_RNA) where: Base-Base interactions energy: -1013.989 where: short stacking energy: -468.723 Base-Backbone interact. energy: -1.708 local terms energy: -561.012732 where: bonds (distance) C4'-P energy: -129.779 bonds (distance) P-C4' energy: -149.446 flat angles C4'-P-C4' energy: -132.536 flat angles P-C4'-P energy: -70.748 tors. eta vs tors. theta energy: -78.504 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: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1178.873695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.873695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.873695 (E_RNA) where: Base-Base interactions energy: -663.547 where: short stacking energy: -345.590 Base-Backbone interact. energy: -1.853 local terms energy: -513.473481 where: bonds (distance) C4'-P energy: -145.432 bonds (distance) P-C4' energy: -147.273 flat angles C4'-P-C4' energy: -110.443 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: -24.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3140.975955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.975955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.975955 (E_RNA) where: Base-Base interactions energy: -2208.955 where: short stacking energy: -916.489 Base-Backbone interact. energy: -6.800 local terms energy: -925.221770 where: bonds (distance) C4'-P energy: -170.199 bonds (distance) P-C4' energy: -170.017 flat angles C4'-P-C4' energy: -183.916 flat angles P-C4'-P energy: -128.976 tors. eta vs tors. theta energy: -272.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -3031.013457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.013457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.013457 (E_RNA) where: Base-Base interactions energy: -2104.880 where: short stacking energy: -891.256 Base-Backbone interact. energy: -2.934 local terms energy: -923.199675 where: bonds (distance) C4'-P energy: -161.956 bonds (distance) P-C4' energy: -172.917 flat angles C4'-P-C4' energy: -195.468 flat angles P-C4'-P energy: -128.747 tors. eta vs tors. theta energy: -264.112 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: 3, replica: 4 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2894.136756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.136756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.136756 (E_RNA) where: Base-Base interactions energy: -2037.795 where: short stacking energy: -881.243 Base-Backbone interact. energy: 1.245 local terms energy: -857.587433 where: bonds (distance) C4'-P energy: -148.426 bonds (distance) P-C4' energy: -152.012 flat angles C4'-P-C4' energy: -182.746 flat angles P-C4'-P energy: -115.000 tors. eta vs tors. theta energy: -259.404 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: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2792.590821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.590821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.590821 (E_RNA) where: Base-Base interactions energy: -1918.258 where: short stacking energy: -846.205 Base-Backbone interact. energy: -3.876 local terms energy: -870.456595 where: bonds (distance) C4'-P energy: -138.286 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -203.759 flat angles P-C4'-P energy: -120.855 tors. eta vs tors. theta energy: -252.563 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: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2724.207515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.207515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.207515 (E_RNA) where: Base-Base interactions energy: -1923.295 where: short stacking energy: -804.757 Base-Backbone interact. energy: -3.686 local terms energy: -797.226854 where: bonds (distance) C4'-P energy: -140.284 bonds (distance) P-C4' energy: -140.346 flat angles C4'-P-C4' energy: -180.264 flat angles P-C4'-P energy: -111.402 tors. eta vs tors. theta energy: -224.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2574.402515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.402515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.402515 (E_RNA) where: Base-Base interactions energy: -1821.988 where: short stacking energy: -791.885 Base-Backbone interact. energy: -0.709 local terms energy: -751.705462 where: bonds (distance) C4'-P energy: -138.882 bonds (distance) P-C4' energy: -137.491 flat angles C4'-P-C4' energy: -159.671 flat angles P-C4'-P energy: -115.904 tors. eta vs tors. theta energy: -199.757 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: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2369.195039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.195039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.195039 (E_RNA) where: Base-Base interactions energy: -1627.504 where: short stacking energy: -716.371 Base-Backbone interact. energy: -2.250 local terms energy: -739.440273 where: bonds (distance) C4'-P energy: -141.003 bonds (distance) P-C4' energy: -143.060 flat angles C4'-P-C4' energy: -170.826 flat angles P-C4'-P energy: -86.787 tors. eta vs tors. theta energy: -197.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -2081.868007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.868007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.868007 (E_RNA) where: Base-Base interactions energy: -1408.780 where: short stacking energy: -627.789 Base-Backbone interact. energy: -2.381 local terms energy: -670.706750 where: bonds (distance) C4'-P energy: -130.769 bonds (distance) P-C4' energy: -144.865 flat angles C4'-P-C4' energy: -144.600 flat angles P-C4'-P energy: -89.330 tors. eta vs tors. theta energy: -161.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1683.537821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.537821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.537821 (E_RNA) where: Base-Base interactions energy: -1085.673 where: short stacking energy: -487.406 Base-Backbone interact. energy: -2.640 local terms energy: -595.224611 where: bonds (distance) C4'-P energy: -137.989 bonds (distance) P-C4' energy: -132.711 flat angles C4'-P-C4' energy: -144.414 flat angles P-C4'-P energy: -73.930 tors. eta vs tors. theta energy: -106.180 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: 10, replica: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1171.806702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.806702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.806702 (E_RNA) where: Base-Base interactions energy: -729.566 where: short stacking energy: -357.249 Base-Backbone interact. energy: 4.660 local terms energy: -446.900548 where: bonds (distance) C4'-P energy: -115.270 bonds (distance) P-C4' energy: -128.864 flat angles C4'-P-C4' energy: -85.151 flat angles P-C4'-P energy: -74.259 tors. eta vs tors. theta energy: -43.356 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: 3 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3126.489426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.489426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.489426 (E_RNA) where: Base-Base interactions energy: -2226.333 where: short stacking energy: -934.600 Base-Backbone interact. energy: -2.808 local terms energy: -897.348355 where: bonds (distance) C4'-P energy: -146.349 bonds (distance) P-C4' energy: -164.858 flat angles C4'-P-C4' energy: -192.057 flat angles P-C4'-P energy: -123.714 tors. eta vs tors. theta energy: -270.370 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: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3026.515653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.515653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.515653 (E_RNA) where: Base-Base interactions energy: -2105.095 where: short stacking energy: -913.556 Base-Backbone interact. energy: -0.732 local terms energy: -920.688677 where: bonds (distance) C4'-P energy: -148.788 bonds (distance) P-C4' energy: -172.036 flat angles C4'-P-C4' energy: -195.096 flat angles P-C4'-P energy: -136.594 tors. eta vs tors. theta energy: -268.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -2913.489561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.489561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.489561 (E_RNA) where: Base-Base interactions energy: -2041.768 where: short stacking energy: -918.482 Base-Backbone interact. energy: 1.252 local terms energy: -872.972715 where: bonds (distance) C4'-P energy: -167.038 bonds (distance) P-C4' energy: -161.160 flat angles C4'-P-C4' energy: -179.019 flat angles P-C4'-P energy: -110.716 tors. eta vs tors. theta energy: -255.039 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: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2772.480405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.480405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.480405 (E_RNA) where: Base-Base interactions energy: -1928.390 where: short stacking energy: -854.389 Base-Backbone interact. energy: -2.716 local terms energy: -841.374845 where: bonds (distance) C4'-P energy: -137.944 bonds (distance) P-C4' energy: -154.041 flat angles C4'-P-C4' energy: -189.089 flat angles P-C4'-P energy: -123.849 tors. eta vs tors. theta energy: -236.451 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: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2706.723388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.723388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.723388 (E_RNA) where: Base-Base interactions energy: -1917.951 where: short stacking energy: -798.634 Base-Backbone interact. energy: -1.639 local terms energy: -787.134125 where: bonds (distance) C4'-P energy: -138.465 bonds (distance) P-C4' energy: -151.597 flat angles C4'-P-C4' energy: -167.573 flat angles P-C4'-P energy: -101.480 tors. eta vs tors. theta energy: -228.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2565.683417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.683417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.683417 (E_RNA) where: Base-Base interactions energy: -1824.100 where: short stacking energy: -777.672 Base-Backbone interact. energy: 0.203 local terms energy: -741.786565 where: bonds (distance) C4'-P energy: -149.135 bonds (distance) P-C4' energy: -130.100 flat angles C4'-P-C4' energy: -155.396 flat angles P-C4'-P energy: -109.425 tors. eta vs tors. theta energy: -197.730 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: 2 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2345.911961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.911961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.911961 (E_RNA) where: Base-Base interactions energy: -1620.462 where: short stacking energy: -712.589 Base-Backbone interact. energy: -2.283 local terms energy: -723.167250 where: bonds (distance) C4'-P energy: -129.959 bonds (distance) P-C4' energy: -149.568 flat angles C4'-P-C4' energy: -159.219 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -190.318 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: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -2059.503899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.503899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.503899 (E_RNA) where: Base-Base interactions energy: -1383.288 where: short stacking energy: -636.994 Base-Backbone interact. energy: 2.704 local terms energy: -678.919931 where: bonds (distance) C4'-P energy: -122.143 bonds (distance) P-C4' energy: -133.572 flat angles C4'-P-C4' energy: -151.983 flat angles P-C4'-P energy: -108.349 tors. eta vs tors. theta energy: -162.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1579.230917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.230917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.230917 (E_RNA) where: Base-Base interactions energy: -1064.078 where: short stacking energy: -473.521 Base-Backbone interact. energy: 7.721 local terms energy: -522.873880 where: bonds (distance) C4'-P energy: -114.445 bonds (distance) P-C4' energy: -123.660 flat angles C4'-P-C4' energy: -145.955 flat angles P-C4'-P energy: -58.874 tors. eta vs tors. theta energy: -79.940 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: 10, replica: 9 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1189.477541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.477541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.477541 (E_RNA) where: Base-Base interactions energy: -703.189 where: short stacking energy: -352.175 Base-Backbone interact. energy: -3.123 local terms energy: -483.165508 where: bonds (distance) C4'-P energy: -109.669 bonds (distance) P-C4' energy: -124.171 flat angles C4'-P-C4' energy: -126.823 flat angles P-C4'-P energy: -81.091 tors. eta vs tors. theta energy: -41.412 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: 435 Temperature: 0.900000 Total energy: -3100.547656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.547656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.547656 (E_RNA) where: Base-Base interactions energy: -2173.029 where: short stacking energy: -911.571 Base-Backbone interact. energy: -0.161 local terms energy: -927.356877 where: bonds (distance) C4'-P energy: -160.084 bonds (distance) P-C4' energy: -166.929 flat angles C4'-P-C4' energy: -201.351 flat angles P-C4'-P energy: -130.243 tors. eta vs tors. theta energy: -268.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3046.614788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.614788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.614788 (E_RNA) where: Base-Base interactions energy: -2123.194 where: short stacking energy: -943.252 Base-Backbone interact. energy: -7.129 local terms energy: -916.291329 where: bonds (distance) C4'-P energy: -154.576 bonds (distance) P-C4' energy: -148.271 flat angles C4'-P-C4' energy: -197.320 flat angles P-C4'-P energy: -136.567 tors. eta vs tors. theta energy: -279.557 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: 4 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2894.810613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.810613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.810613 (E_RNA) where: Base-Base interactions energy: -2013.133 where: short stacking energy: -885.665 Base-Backbone interact. energy: -3.828 local terms energy: -877.849251 where: bonds (distance) C4'-P energy: -139.029 bonds (distance) P-C4' energy: -167.918 flat angles C4'-P-C4' energy: -183.759 flat angles P-C4'-P energy: -137.136 tors. eta vs tors. theta energy: -250.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2823.169673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.169673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.169673 (E_RNA) where: Base-Base interactions energy: -1960.148 where: short stacking energy: -847.278 Base-Backbone interact. energy: -2.337 local terms energy: -860.685273 where: bonds (distance) C4'-P energy: -164.974 bonds (distance) P-C4' energy: -142.553 flat angles C4'-P-C4' energy: -186.809 flat angles P-C4'-P energy: -123.693 tors. eta vs tors. theta energy: -242.657 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: 435 Temperature: 1.100000 Total energy: -2723.639565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.639565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.639565 (E_RNA) where: Base-Base interactions energy: -1898.720 where: short stacking energy: -827.184 Base-Backbone interact. energy: -3.108 local terms energy: -821.812141 where: bonds (distance) C4'-P energy: -154.061 bonds (distance) P-C4' energy: -155.836 flat angles C4'-P-C4' energy: -176.965 flat angles P-C4'-P energy: -99.546 tors. eta vs tors. theta energy: -235.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2569.968664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.968664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.968664 (E_RNA) where: Base-Base interactions energy: -1802.490 where: short stacking energy: -761.732 Base-Backbone interact. energy: -4.818 local terms energy: -762.660492 where: bonds (distance) C4'-P energy: -135.214 bonds (distance) P-C4' energy: -141.668 flat angles C4'-P-C4' energy: -166.335 flat angles P-C4'-P energy: -111.125 tors. eta vs tors. theta energy: -208.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2359.679892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.679892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.679892 (E_RNA) where: Base-Base interactions energy: -1608.150 where: short stacking energy: -693.375 Base-Backbone interact. energy: -1.825 local terms energy: -749.704093 where: bonds (distance) C4'-P energy: -128.262 bonds (distance) P-C4' energy: -149.562 flat angles C4'-P-C4' energy: -170.680 flat angles P-C4'-P energy: -115.523 tors. eta vs tors. theta energy: -185.676 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: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -2109.890257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.890257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.890257 (E_RNA) where: Base-Base interactions energy: -1450.088 where: short stacking energy: -634.796 Base-Backbone interact. energy: 2.562 local terms energy: -662.364325 where: bonds (distance) C4'-P energy: -152.946 bonds (distance) P-C4' energy: -124.995 flat angles C4'-P-C4' energy: -142.598 flat angles P-C4'-P energy: -85.484 tors. eta vs tors. theta energy: -156.342 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: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1538.807881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.807881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.807881 (E_RNA) where: Base-Base interactions energy: -1008.667 where: short stacking energy: -449.955 Base-Backbone interact. energy: -0.203 local terms energy: -529.937986 where: bonds (distance) C4'-P energy: -110.378 bonds (distance) P-C4' energy: -133.054 flat angles C4'-P-C4' energy: -154.325 flat angles P-C4'-P energy: -58.823 tors. eta vs tors. theta energy: -73.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1196.178742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.178742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.178742 (E_RNA) where: Base-Base interactions energy: -706.588 where: short stacking energy: -345.545 Base-Backbone interact. energy: 1.806 local terms energy: -491.396699 where: bonds (distance) C4'-P energy: -119.863 bonds (distance) P-C4' energy: -147.402 flat angles C4'-P-C4' energy: -110.987 flat angles P-C4'-P energy: -80.531 tors. eta vs tors. theta energy: -32.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3122.724777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.724777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.724777 (E_RNA) where: Base-Base interactions energy: -2197.640 where: short stacking energy: -921.082 Base-Backbone interact. energy: -3.623 local terms energy: -921.461138 where: bonds (distance) C4'-P energy: -166.316 bonds (distance) P-C4' energy: -159.195 flat angles C4'-P-C4' energy: -192.885 flat angles P-C4'-P energy: -118.831 tors. eta vs tors. theta energy: -284.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3028.068190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.068190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.068190 (E_RNA) where: Base-Base interactions energy: -2115.568 where: short stacking energy: -909.040 Base-Backbone interact. energy: -3.141 local terms energy: -909.359626 where: bonds (distance) C4'-P energy: -162.127 bonds (distance) P-C4' energy: -164.691 flat angles C4'-P-C4' energy: -200.971 flat angles P-C4'-P energy: -121.756 tors. eta vs tors. theta energy: -259.814 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: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2903.723141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.723141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.723141 (E_RNA) where: Base-Base interactions energy: -2034.732 where: short stacking energy: -884.144 Base-Backbone interact. energy: 0.777 local terms energy: -869.767315 where: bonds (distance) C4'-P energy: -149.347 bonds (distance) P-C4' energy: -168.137 flat angles C4'-P-C4' energy: -177.223 flat angles P-C4'-P energy: -120.526 tors. eta vs tors. theta energy: -254.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2782.961101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.961101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.961101 (E_RNA) where: Base-Base interactions energy: -1929.246 where: short stacking energy: -854.790 Base-Backbone interact. energy: -1.342 local terms energy: -852.372353 where: bonds (distance) C4'-P energy: -152.069 bonds (distance) P-C4' energy: -170.018 flat angles C4'-P-C4' energy: -172.135 flat angles P-C4'-P energy: -118.913 tors. eta vs tors. theta energy: -239.238 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: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2717.394658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.394658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.394658 (E_RNA) where: Base-Base interactions energy: -1878.742 where: short stacking energy: -792.989 Base-Backbone interact. energy: -3.670 local terms energy: -834.982502 where: bonds (distance) C4'-P energy: -149.006 bonds (distance) P-C4' energy: -153.871 flat angles C4'-P-C4' energy: -183.671 flat angles P-C4'-P energy: -111.479 tors. eta vs tors. theta energy: -236.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2574.426806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.426806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.426806 (E_RNA) where: Base-Base interactions energy: -1756.175 where: short stacking energy: -754.343 Base-Backbone interact. energy: -1.397 local terms energy: -816.854775 where: bonds (distance) C4'-P energy: -142.659 bonds (distance) P-C4' energy: -157.364 flat angles C4'-P-C4' energy: -179.234 flat angles P-C4'-P energy: -119.098 tors. eta vs tors. theta energy: -218.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2361.556890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.556890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.556890 (E_RNA) where: Base-Base interactions energy: -1630.111 where: short stacking energy: -689.293 Base-Backbone interact. energy: -2.154 local terms energy: -729.291820 where: bonds (distance) C4'-P energy: -151.549 bonds (distance) P-C4' energy: -129.070 flat angles C4'-P-C4' energy: -159.631 flat angles P-C4'-P energy: -93.167 tors. eta vs tors. theta energy: -195.875 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: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -2153.575737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.575737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.575737 (E_RNA) where: Base-Base interactions energy: -1512.704 where: short stacking energy: -669.242 Base-Backbone interact. energy: 0.142 local terms energy: -641.013640 where: bonds (distance) C4'-P energy: -94.813 bonds (distance) P-C4' energy: -135.598 flat angles C4'-P-C4' energy: -138.843 flat angles P-C4'-P energy: -96.322 tors. eta vs tors. theta energy: -175.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1547.953328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.953328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.953328 (E_RNA) where: Base-Base interactions energy: -1040.587 where: short stacking energy: -442.460 Base-Backbone interact. energy: -1.915 local terms energy: -505.450931 where: bonds (distance) C4'-P energy: -131.122 bonds (distance) P-C4' energy: -123.775 flat angles C4'-P-C4' energy: -128.885 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: -52.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1201.070979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.070979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.070979 (E_RNA) where: Base-Base interactions energy: -719.242 where: short stacking energy: -367.194 Base-Backbone interact. energy: 2.542 local terms energy: -484.371529 where: bonds (distance) C4'-P energy: -115.217 bonds (distance) P-C4' energy: -118.288 flat angles C4'-P-C4' energy: -140.115 flat angles P-C4'-P energy: -72.065 tors. eta vs tors. theta energy: -38.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3154.820210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.820210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.820210 (E_RNA) where: Base-Base interactions energy: -2216.534 where: short stacking energy: -945.429 Base-Backbone interact. energy: -4.108 local terms energy: -934.177670 where: bonds (distance) C4'-P energy: -156.675 bonds (distance) P-C4' energy: -180.918 flat angles C4'-P-C4' energy: -183.846 flat angles P-C4'-P energy: -134.290 tors. eta vs tors. theta energy: -278.449 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: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -3065.175360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.175360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.175360 (E_RNA) where: Base-Base interactions energy: -2122.167 where: short stacking energy: -937.069 Base-Backbone interact. energy: -0.996 local terms energy: -942.012513 where: bonds (distance) C4'-P energy: -160.509 bonds (distance) P-C4' energy: -170.858 flat angles C4'-P-C4' energy: -195.035 flat angles P-C4'-P energy: -134.552 tors. eta vs tors. theta energy: -281.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2911.734406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.734406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.734406 (E_RNA) where: Base-Base interactions energy: -2061.295 where: short stacking energy: -841.506 Base-Backbone interact. energy: 1.947 local terms energy: -852.386328 where: bonds (distance) C4'-P energy: -158.614 bonds (distance) P-C4' energy: -149.793 flat angles C4'-P-C4' energy: -179.125 flat angles P-C4'-P energy: -118.818 tors. eta vs tors. theta energy: -246.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2774.466822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.466822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.466822 (E_RNA) where: Base-Base interactions energy: -1924.281 where: short stacking energy: -822.465 Base-Backbone interact. energy: -0.094 local terms energy: -850.092286 where: bonds (distance) C4'-P energy: -168.729 bonds (distance) P-C4' energy: -163.165 flat angles C4'-P-C4' energy: -163.173 flat angles P-C4'-P energy: -110.924 tors. eta vs tors. theta energy: -244.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2728.949437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.949437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.949437 (E_RNA) where: Base-Base interactions energy: -1892.875 where: short stacking energy: -792.831 Base-Backbone interact. energy: -2.414 local terms energy: -833.660492 where: bonds (distance) C4'-P energy: -142.132 bonds (distance) P-C4' energy: -169.993 flat angles C4'-P-C4' energy: -172.609 flat angles P-C4'-P energy: -121.305 tors. eta vs tors. theta energy: -227.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2602.074347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.074347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.074347 (E_RNA) where: Base-Base interactions energy: -1783.681 where: short stacking energy: -798.797 Base-Backbone interact. energy: -3.325 local terms energy: -815.067964 where: bonds (distance) C4'-P energy: -146.629 bonds (distance) P-C4' energy: -161.050 flat angles C4'-P-C4' energy: -173.292 flat angles P-C4'-P energy: -111.858 tors. eta vs tors. theta energy: -222.238 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: 437 Temperature: 1.200000 Total energy: -2335.883315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.883315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.883315 (E_RNA) where: Base-Base interactions energy: -1617.385 where: short stacking energy: -681.927 Base-Backbone interact. energy: -3.449 local terms energy: -715.049676 where: bonds (distance) C4'-P energy: -134.779 bonds (distance) P-C4' energy: -159.750 flat angles C4'-P-C4' energy: -158.595 flat angles P-C4'-P energy: -84.500 tors. eta vs tors. theta energy: -177.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -2088.940259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.940259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.940259 (E_RNA) where: Base-Base interactions energy: -1418.829 where: short stacking energy: -635.027 Base-Backbone interact. energy: 3.585 local terms energy: -673.696101 where: bonds (distance) C4'-P energy: -114.254 bonds (distance) P-C4' energy: -120.611 flat angles C4'-P-C4' energy: -150.318 flat angles P-C4'-P energy: -107.752 tors. eta vs tors. theta energy: -180.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1514.967335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.967335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.967335 (E_RNA) where: Base-Base interactions energy: -970.924 where: short stacking energy: -450.979 Base-Backbone interact. energy: -3.727 local terms energy: -540.317003 where: bonds (distance) C4'-P energy: -102.495 bonds (distance) P-C4' energy: -142.188 flat angles C4'-P-C4' energy: -132.936 flat angles P-C4'-P energy: -81.787 tors. eta vs tors. theta energy: -80.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1162.546393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.546393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.546393 (E_RNA) where: Base-Base interactions energy: -733.571 where: short stacking energy: -364.205 Base-Backbone interact. energy: 1.902 local terms energy: -430.877895 where: bonds (distance) C4'-P energy: -120.911 bonds (distance) P-C4' energy: -133.056 flat angles C4'-P-C4' energy: -98.103 flat angles P-C4'-P energy: -68.152 tors. eta vs tors. theta energy: -10.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3126.782461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.782461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.782461 (E_RNA) where: Base-Base interactions energy: -2202.258 where: short stacking energy: -941.513 Base-Backbone interact. energy: -3.612 local terms energy: -920.911804 where: bonds (distance) C4'-P energy: -169.133 bonds (distance) P-C4' energy: -154.870 flat angles C4'-P-C4' energy: -188.816 flat angles P-C4'-P energy: -135.795 tors. eta vs tors. theta energy: -272.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -3036.040015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.040015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.040015 (E_RNA) where: Base-Base interactions energy: -2129.321 where: short stacking energy: -914.978 Base-Backbone interact. energy: -2.058 local terms energy: -904.661021 where: bonds (distance) C4'-P energy: -149.169 bonds (distance) P-C4' energy: -166.210 flat angles C4'-P-C4' energy: -202.958 flat angles P-C4'-P energy: -111.521 tors. eta vs tors. theta energy: -274.802 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: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2898.578815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.578815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.578815 (E_RNA) where: Base-Base interactions energy: -2031.379 where: short stacking energy: -866.019 Base-Backbone interact. energy: -1.470 local terms energy: -865.729859 where: bonds (distance) C4'-P energy: -161.458 bonds (distance) P-C4' energy: -147.905 flat angles C4'-P-C4' energy: -190.442 flat angles P-C4'-P energy: -116.875 tors. eta vs tors. theta energy: -249.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2798.671235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.671235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.671235 (E_RNA) where: Base-Base interactions energy: -1963.469 where: short stacking energy: -866.947 Base-Backbone interact. energy: -1.941 local terms energy: -833.261276 where: bonds (distance) C4'-P energy: -145.659 bonds (distance) P-C4' energy: -146.768 flat angles C4'-P-C4' energy: -180.123 flat angles P-C4'-P energy: -119.106 tors. eta vs tors. theta energy: -241.605 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: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2635.204652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.204652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.204652 (E_RNA) where: Base-Base interactions energy: -1836.428 where: short stacking energy: -796.049 Base-Backbone interact. energy: -0.539 local terms energy: -798.237910 where: bonds (distance) C4'-P energy: -141.173 bonds (distance) P-C4' energy: -141.107 flat angles C4'-P-C4' energy: -177.637 flat angles P-C4'-P energy: -115.363 tors. eta vs tors. theta energy: -222.958 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: 6 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2621.235932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.235932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.235932 (E_RNA) where: Base-Base interactions energy: -1844.412 where: short stacking energy: -777.387 Base-Backbone interact. energy: -0.839 local terms energy: -775.985043 where: bonds (distance) C4'-P energy: -132.639 bonds (distance) P-C4' energy: -143.996 flat angles C4'-P-C4' energy: -163.978 flat angles P-C4'-P energy: -117.884 tors. eta vs tors. theta energy: -217.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2394.756733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.756733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.756733 (E_RNA) where: Base-Base interactions energy: -1670.267 where: short stacking energy: -709.592 Base-Backbone interact. energy: 3.087 local terms energy: -727.577625 where: bonds (distance) C4'-P energy: -114.022 bonds (distance) P-C4' energy: -150.879 flat angles C4'-P-C4' energy: -169.267 flat angles P-C4'-P energy: -104.612 tors. eta vs tors. theta energy: -188.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -2117.192688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.192688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.192688 (E_RNA) where: Base-Base interactions energy: -1416.055 where: short stacking energy: -653.490 Base-Backbone interact. energy: -0.530 local terms energy: -700.607608 where: bonds (distance) C4'-P energy: -147.663 bonds (distance) P-C4' energy: -124.258 flat angles C4'-P-C4' energy: -166.980 flat angles P-C4'-P energy: -100.762 tors. eta vs tors. theta energy: -160.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1425.658065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.658065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.658065 (E_RNA) where: Base-Base interactions energy: -896.302 where: short stacking energy: -412.536 Base-Backbone interact. energy: 0.403 local terms energy: -529.759533 where: bonds (distance) C4'-P energy: -102.488 bonds (distance) P-C4' energy: -139.929 flat angles C4'-P-C4' energy: -126.444 flat angles P-C4'-P energy: -77.276 tors. eta vs tors. theta energy: -83.622 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: 9 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1161.180406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.180406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.180406 (E_RNA) where: Base-Base interactions energy: -697.754 where: short stacking energy: -378.222 Base-Backbone interact. energy: 11.089 local terms energy: -474.514978 where: bonds (distance) C4'-P energy: -125.354 bonds (distance) P-C4' energy: -139.224 flat angles C4'-P-C4' energy: -120.938 flat angles P-C4'-P energy: -61.598 tors. eta vs tors. theta energy: -27.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3128.152070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.152070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.152070 (E_RNA) where: Base-Base interactions energy: -2199.946 where: short stacking energy: -920.507 Base-Backbone interact. energy: -2.650 local terms energy: -925.555838 where: bonds (distance) C4'-P energy: -159.040 bonds (distance) P-C4' energy: -168.334 flat angles C4'-P-C4' energy: -194.709 flat angles P-C4'-P energy: -125.466 tors. eta vs tors. theta energy: -278.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -3019.044136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.044136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.044136 (E_RNA) where: Base-Base interactions energy: -2123.479 where: short stacking energy: -923.811 Base-Backbone interact. energy: -4.027 local terms energy: -891.537943 where: bonds (distance) C4'-P energy: -161.564 bonds (distance) P-C4' energy: -135.962 flat angles C4'-P-C4' energy: -195.407 flat angles P-C4'-P energy: -120.944 tors. eta vs tors. theta energy: -277.661 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: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2909.314100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.314100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.314100 (E_RNA) where: Base-Base interactions energy: -2035.506 where: short stacking energy: -864.734 Base-Backbone interact. energy: 0.673 local terms energy: -874.480771 where: bonds (distance) C4'-P energy: -151.472 bonds (distance) P-C4' energy: -173.906 flat angles C4'-P-C4' energy: -184.689 flat angles P-C4'-P energy: -114.937 tors. eta vs tors. theta energy: -249.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2800.338271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.338271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.338271 (E_RNA) where: Base-Base interactions energy: -1957.134 where: short stacking energy: -865.782 Base-Backbone interact. energy: -2.273 local terms energy: -840.931612 where: bonds (distance) C4'-P energy: -144.292 bonds (distance) P-C4' energy: -159.118 flat angles C4'-P-C4' energy: -181.639 flat angles P-C4'-P energy: -113.328 tors. eta vs tors. theta energy: -242.553 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: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2646.953271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.953271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.953271 (E_RNA) where: Base-Base interactions energy: -1841.828 where: short stacking energy: -792.768 Base-Backbone interact. energy: -2.640 local terms energy: -802.485547 where: bonds (distance) C4'-P energy: -153.810 bonds (distance) P-C4' energy: -139.973 flat angles C4'-P-C4' energy: -175.686 flat angles P-C4'-P energy: -108.245 tors. eta vs tors. theta energy: -224.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2601.033693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.033693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.033693 (E_RNA) where: Base-Base interactions energy: -1810.972 where: short stacking energy: -800.539 Base-Backbone interact. energy: -0.706 local terms energy: -789.354905 where: bonds (distance) C4'-P energy: -140.369 bonds (distance) P-C4' energy: -135.283 flat angles C4'-P-C4' energy: -160.819 flat angles P-C4'-P energy: -108.694 tors. eta vs tors. theta energy: -244.190 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: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2396.336033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.336033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.336033 (E_RNA) where: Base-Base interactions energy: -1660.211 where: short stacking energy: -715.733 Base-Backbone interact. energy: -2.334 local terms energy: -733.791286 where: bonds (distance) C4'-P energy: -159.635 bonds (distance) P-C4' energy: -134.544 flat angles C4'-P-C4' energy: -162.181 flat angles P-C4'-P energy: -90.610 tors. eta vs tors. theta energy: -186.821 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: 1 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -2052.946745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.946745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.946745 (E_RNA) where: Base-Base interactions energy: -1387.323 where: short stacking energy: -631.318 Base-Backbone interact. energy: -2.822 local terms energy: -662.801655 where: bonds (distance) C4'-P energy: -117.226 bonds (distance) P-C4' energy: -144.353 flat angles C4'-P-C4' energy: -138.538 flat angles P-C4'-P energy: -105.982 tors. eta vs tors. theta energy: -156.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1392.116069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.116069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.116069 (E_RNA) where: Base-Base interactions energy: -856.724 where: short stacking energy: -411.458 Base-Backbone interact. energy: 3.032 local terms energy: -538.424076 where: bonds (distance) C4'-P energy: -129.348 bonds (distance) P-C4' energy: -140.422 flat angles C4'-P-C4' energy: -123.838 flat angles P-C4'-P energy: -87.957 tors. eta vs tors. theta energy: -56.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1248.481817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.481817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.481817 (E_RNA) where: Base-Base interactions energy: -789.440 where: short stacking energy: -343.699 Base-Backbone interact. energy: 0.103 local terms energy: -459.144307 where: bonds (distance) C4'-P energy: -111.448 bonds (distance) P-C4' energy: -131.791 flat angles C4'-P-C4' energy: -131.770 flat angles P-C4'-P energy: -54.045 tors. eta vs tors. theta energy: -30.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3163.289042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.289042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.289042 (E_RNA) where: Base-Base interactions energy: -2232.752 where: short stacking energy: -944.253 Base-Backbone interact. energy: -1.841 local terms energy: -928.696451 where: bonds (distance) C4'-P energy: -158.664 bonds (distance) P-C4' energy: -161.356 flat angles C4'-P-C4' energy: -197.405 flat angles P-C4'-P energy: -140.205 tors. eta vs tors. theta energy: -271.066 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: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -3035.647796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.647796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.647796 (E_RNA) where: Base-Base interactions energy: -2114.867 where: short stacking energy: -931.213 Base-Backbone interact. energy: -2.265 local terms energy: -918.516053 where: bonds (distance) C4'-P energy: -156.360 bonds (distance) P-C4' energy: -154.727 flat angles C4'-P-C4' energy: -193.357 flat angles P-C4'-P energy: -139.540 tors. eta vs tors. theta energy: -274.533 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: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2920.465719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.465719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.465719 (E_RNA) where: Base-Base interactions energy: -2037.807 where: short stacking energy: -872.529 Base-Backbone interact. energy: -4.034 local terms energy: -878.624279 where: bonds (distance) C4'-P energy: -151.533 bonds (distance) P-C4' energy: -150.767 flat angles C4'-P-C4' energy: -197.757 flat angles P-C4'-P energy: -125.030 tors. eta vs tors. theta energy: -253.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2791.501448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.501448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.501448 (E_RNA) where: Base-Base interactions energy: -1924.952 where: short stacking energy: -844.187 Base-Backbone interact. energy: 0.834 local terms energy: -867.382792 where: bonds (distance) C4'-P energy: -166.746 bonds (distance) P-C4' energy: -152.723 flat angles C4'-P-C4' energy: -195.450 flat angles P-C4'-P energy: -106.914 tors. eta vs tors. theta energy: -245.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2677.990226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.990226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.990226 (E_RNA) where: Base-Base interactions energy: -1888.568 where: short stacking energy: -808.359 Base-Backbone interact. energy: 0.640 local terms energy: -790.061483 where: bonds (distance) C4'-P energy: -142.595 bonds (distance) P-C4' energy: -143.757 flat angles C4'-P-C4' energy: -171.094 flat angles P-C4'-P energy: -107.932 tors. eta vs tors. theta energy: -224.685 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: 6 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2604.900066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.900066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.900066 (E_RNA) where: Base-Base interactions energy: -1790.602 where: short stacking energy: -743.714 Base-Backbone interact. energy: -3.741 local terms energy: -810.556998 where: bonds (distance) C4'-P energy: -141.308 bonds (distance) P-C4' energy: -166.994 flat angles C4'-P-C4' energy: -175.802 flat angles P-C4'-P energy: -127.343 tors. eta vs tors. theta energy: -199.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2422.274118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.274118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.274118 (E_RNA) where: Base-Base interactions energy: -1693.276 where: short stacking energy: -717.312 Base-Backbone interact. energy: 1.211 local terms energy: -730.209309 where: bonds (distance) C4'-P energy: -140.903 bonds (distance) P-C4' energy: -143.071 flat angles C4'-P-C4' energy: -166.699 flat angles P-C4'-P energy: -89.434 tors. eta vs tors. theta energy: -190.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -2128.719836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.719836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.719836 (E_RNA) where: Base-Base interactions energy: -1432.314 where: short stacking energy: -652.726 Base-Backbone interact. energy: -0.661 local terms energy: -695.744699 where: bonds (distance) C4'-P energy: -130.751 bonds (distance) P-C4' energy: -142.116 flat angles C4'-P-C4' energy: -160.768 flat angles P-C4'-P energy: -93.771 tors. eta vs tors. theta energy: -168.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1411.916832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.916832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.916832 (E_RNA) where: Base-Base interactions energy: -860.890 where: short stacking energy: -395.328 Base-Backbone interact. energy: -0.693 local terms energy: -550.334500 where: bonds (distance) C4'-P energy: -141.154 bonds (distance) P-C4' energy: -121.287 flat angles C4'-P-C4' energy: -137.214 flat angles P-C4'-P energy: -73.907 tors. eta vs tors. theta energy: -76.772 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: 9 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1256.719928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.719928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.719928 (E_RNA) where: Base-Base interactions energy: -756.696 where: short stacking energy: -368.083 Base-Backbone interact. energy: -1.744 local terms energy: -498.279763 where: bonds (distance) C4'-P energy: -122.968 bonds (distance) P-C4' energy: -146.956 flat angles C4'-P-C4' energy: -114.542 flat angles P-C4'-P energy: -71.566 tors. eta vs tors. theta energy: -42.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3159.769486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.769486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.769486 (E_RNA) where: Base-Base interactions energy: -2216.543 where: short stacking energy: -945.036 Base-Backbone interact. energy: -1.474 local terms energy: -941.751954 where: bonds (distance) C4'-P energy: -166.748 bonds (distance) P-C4' energy: -174.040 flat angles C4'-P-C4' energy: -199.639 flat angles P-C4'-P energy: -137.087 tors. eta vs tors. theta energy: -264.238 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: 5 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -3046.697333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.697333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.697333 (E_RNA) where: Base-Base interactions energy: -2119.018 where: short stacking energy: -896.364 Base-Backbone interact. energy: -2.820 local terms energy: -924.858899 where: bonds (distance) C4'-P energy: -163.768 bonds (distance) P-C4' energy: -174.089 flat angles C4'-P-C4' energy: -190.819 flat angles P-C4'-P energy: -128.506 tors. eta vs tors. theta energy: -267.676 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: 4 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2900.493048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.493048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.493048 (E_RNA) where: Base-Base interactions energy: -2036.481 where: short stacking energy: -872.418 Base-Backbone interact. energy: -3.913 local terms energy: -860.099079 where: bonds (distance) C4'-P energy: -158.618 bonds (distance) P-C4' energy: -155.961 flat angles C4'-P-C4' energy: -174.027 flat angles P-C4'-P energy: -113.318 tors. eta vs tors. theta energy: -258.175 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: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2752.943285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.943285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.943285 (E_RNA) where: Base-Base interactions energy: -1894.909 where: short stacking energy: -827.213 Base-Backbone interact. energy: -2.178 local terms energy: -855.856418 where: bonds (distance) C4'-P energy: -156.872 bonds (distance) P-C4' energy: -160.800 flat angles C4'-P-C4' energy: -186.099 flat angles P-C4'-P energy: -111.052 tors. eta vs tors. theta energy: -241.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2608.909288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.909288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.909288 (E_RNA) where: Base-Base interactions energy: -1834.536 where: short stacking energy: -805.447 Base-Backbone interact. energy: 0.965 local terms energy: -775.338251 where: bonds (distance) C4'-P energy: -151.192 bonds (distance) P-C4' energy: -124.291 flat angles C4'-P-C4' energy: -184.272 flat angles P-C4'-P energy: -106.022 tors. eta vs tors. theta energy: -209.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2651.425612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.425612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.425612 (E_RNA) where: Base-Base interactions energy: -1824.383 where: short stacking energy: -765.182 Base-Backbone interact. energy: -3.299 local terms energy: -823.743675 where: bonds (distance) C4'-P energy: -153.289 bonds (distance) P-C4' energy: -154.414 flat angles C4'-P-C4' energy: -177.445 flat angles P-C4'-P energy: -120.754 tors. eta vs tors. theta energy: -217.842 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: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2403.624171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.624171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.624171 (E_RNA) where: Base-Base interactions energy: -1660.400 where: short stacking energy: -699.320 Base-Backbone interact. energy: -2.421 local terms energy: -740.803971 where: bonds (distance) C4'-P energy: -146.678 bonds (distance) P-C4' energy: -144.368 flat angles C4'-P-C4' energy: -148.590 flat angles P-C4'-P energy: -105.620 tors. eta vs tors. theta energy: -195.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -2059.921842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.921842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.921842 (E_RNA) where: Base-Base interactions energy: -1400.569 where: short stacking energy: -635.435 Base-Backbone interact. energy: -4.195 local terms energy: -655.157371 where: bonds (distance) C4'-P energy: -118.597 bonds (distance) P-C4' energy: -120.203 flat angles C4'-P-C4' energy: -157.874 flat angles P-C4'-P energy: -96.772 tors. eta vs tors. theta energy: -161.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1384.480199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.480199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.480199 (E_RNA) where: Base-Base interactions energy: -876.944 where: short stacking energy: -395.322 Base-Backbone interact. energy: 7.493 local terms energy: -515.028832 where: bonds (distance) C4'-P energy: -132.711 bonds (distance) P-C4' energy: -130.945 flat angles C4'-P-C4' energy: -123.078 flat angles P-C4'-P energy: -82.952 tors. eta vs tors. theta energy: -45.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1133.895025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.895025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.895025 (E_RNA) where: Base-Base interactions energy: -675.207 where: short stacking energy: -349.970 Base-Backbone interact. energy: -2.837 local terms energy: -455.851194 where: bonds (distance) C4'-P energy: -108.566 bonds (distance) P-C4' energy: -131.450 flat angles C4'-P-C4' energy: -130.141 flat angles P-C4'-P energy: -69.768 tors. eta vs tors. theta energy: -15.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3139.574308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.574308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.574308 (E_RNA) where: Base-Base interactions energy: -2207.032 where: short stacking energy: -928.002 Base-Backbone interact. energy: -4.107 local terms energy: -928.435438 where: bonds (distance) C4'-P energy: -164.081 bonds (distance) P-C4' energy: -175.676 flat angles C4'-P-C4' energy: -186.899 flat angles P-C4'-P energy: -140.134 tors. eta vs tors. theta energy: -261.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -3037.468850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.468850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.468850 (E_RNA) where: Base-Base interactions energy: -2128.968 where: short stacking energy: -934.330 Base-Backbone interact. energy: -0.373 local terms energy: -908.128107 where: bonds (distance) C4'-P energy: -167.001 bonds (distance) P-C4' energy: -157.005 flat angles C4'-P-C4' energy: -183.866 flat angles P-C4'-P energy: -124.613 tors. eta vs tors. theta energy: -275.643 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: 4 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2920.278035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.278035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.278035 (E_RNA) where: Base-Base interactions energy: -2021.765 where: short stacking energy: -881.845 Base-Backbone interact. energy: 0.072 local terms energy: -898.584861 where: bonds (distance) C4'-P energy: -165.971 bonds (distance) P-C4' energy: -161.144 flat angles C4'-P-C4' energy: -183.717 flat angles P-C4'-P energy: -128.259 tors. eta vs tors. theta energy: -259.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2785.084892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.084892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.084892 (E_RNA) where: Base-Base interactions energy: -1927.670 where: short stacking energy: -869.855 Base-Backbone interact. energy: 1.636 local terms energy: -859.050938 where: bonds (distance) C4'-P energy: -166.216 bonds (distance) P-C4' energy: -148.281 flat angles C4'-P-C4' energy: -185.821 flat angles P-C4'-P energy: -112.744 tors. eta vs tors. theta energy: -245.989 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: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2696.324999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.324999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.324999 (E_RNA) where: Base-Base interactions energy: -1880.013 where: short stacking energy: -810.837 Base-Backbone interact. energy: -4.000 local terms energy: -812.312625 where: bonds (distance) C4'-P energy: -137.359 bonds (distance) P-C4' energy: -140.852 flat angles C4'-P-C4' energy: -174.481 flat angles P-C4'-P energy: -138.034 tors. eta vs tors. theta energy: -221.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2568.640106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.640106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.640106 (E_RNA) where: Base-Base interactions energy: -1807.769 where: short stacking energy: -771.329 Base-Backbone interact. energy: 3.695 local terms energy: -764.566884 where: bonds (distance) C4'-P energy: -136.842 bonds (distance) P-C4' energy: -133.423 flat angles C4'-P-C4' energy: -175.518 flat angles P-C4'-P energy: -96.181 tors. eta vs tors. theta energy: -222.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2431.026578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.026578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.026578 (E_RNA) where: Base-Base interactions energy: -1663.075 where: short stacking energy: -722.819 Base-Backbone interact. energy: -1.835 local terms energy: -766.116453 where: bonds (distance) C4'-P energy: -148.816 bonds (distance) P-C4' energy: -142.692 flat angles C4'-P-C4' energy: -171.310 flat angles P-C4'-P energy: -105.015 tors. eta vs tors. theta energy: -198.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -2087.066372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.066372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.066372 (E_RNA) where: Base-Base interactions energy: -1396.974 where: short stacking energy: -648.318 Base-Backbone interact. energy: -4.936 local terms energy: -685.155758 where: bonds (distance) C4'-P energy: -119.146 bonds (distance) P-C4' energy: -150.928 flat angles C4'-P-C4' energy: -144.351 flat angles P-C4'-P energy: -96.300 tors. eta vs tors. theta energy: -174.431 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: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1460.060518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.060518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.060518 (E_RNA) where: Base-Base interactions energy: -921.373 where: short stacking energy: -439.711 Base-Backbone interact. energy: 2.360 local terms energy: -541.047803 where: bonds (distance) C4'-P energy: -122.681 bonds (distance) P-C4' energy: -137.153 flat angles C4'-P-C4' energy: -132.582 flat angles P-C4'-P energy: -79.514 tors. eta vs tors. theta energy: -69.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1137.837179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.837179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.837179 (E_RNA) where: Base-Base interactions energy: -624.556 where: short stacking energy: -310.296 Base-Backbone interact. energy: -0.170 local terms energy: -513.110725 where: bonds (distance) C4'-P energy: -131.405 bonds (distance) P-C4' energy: -139.895 flat angles C4'-P-C4' energy: -137.731 flat angles P-C4'-P energy: -87.763 tors. eta vs tors. theta energy: -16.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3130.003970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.003970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.003970 (E_RNA) where: Base-Base interactions energy: -2179.848 where: short stacking energy: -948.968 Base-Backbone interact. energy: -4.828 local terms energy: -945.328644 where: bonds (distance) C4'-P energy: -160.641 bonds (distance) P-C4' energy: -178.250 flat angles C4'-P-C4' energy: -193.379 flat angles P-C4'-P energy: -137.820 tors. eta vs tors. theta energy: -275.239 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: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -3021.742197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.742197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.742197 (E_RNA) where: Base-Base interactions energy: -2126.074 where: short stacking energy: -942.953 Base-Backbone interact. energy: -4.096 local terms energy: -891.571866 where: bonds (distance) C4'-P energy: -135.022 bonds (distance) P-C4' energy: -158.800 flat angles C4'-P-C4' energy: -192.853 flat angles P-C4'-P energy: -125.970 tors. eta vs tors. theta energy: -278.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2942.877646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.877646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.877646 (E_RNA) where: Base-Base interactions energy: -2059.130 where: short stacking energy: -899.534 Base-Backbone interact. energy: -6.005 local terms energy: -877.742270 where: bonds (distance) C4'-P energy: -150.924 bonds (distance) P-C4' energy: -159.941 flat angles C4'-P-C4' energy: -186.002 flat angles P-C4'-P energy: -117.321 tors. eta vs tors. theta energy: -263.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2791.768639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.768639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.768639 (E_RNA) where: Base-Base interactions energy: -1953.161 where: short stacking energy: -860.843 Base-Backbone interact. energy: -2.815 local terms energy: -835.792661 where: bonds (distance) C4'-P energy: -129.467 bonds (distance) P-C4' energy: -152.331 flat angles C4'-P-C4' energy: -184.391 flat angles P-C4'-P energy: -131.623 tors. eta vs tors. theta energy: -237.981 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: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2691.100011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.100011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.100011 (E_RNA) where: Base-Base interactions energy: -1899.763 where: short stacking energy: -793.157 Base-Backbone interact. energy: -4.533 local terms energy: -786.804566 where: bonds (distance) C4'-P energy: -143.631 bonds (distance) P-C4' energy: -153.472 flat angles C4'-P-C4' energy: -174.849 flat angles P-C4'-P energy: -87.959 tors. eta vs tors. theta energy: -226.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2570.369558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.369558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.369558 (E_RNA) where: Base-Base interactions energy: -1754.813 where: short stacking energy: -765.603 Base-Backbone interact. energy: 4.013 local terms energy: -819.569659 where: bonds (distance) C4'-P energy: -148.318 bonds (distance) P-C4' energy: -156.171 flat angles C4'-P-C4' energy: -176.693 flat angles P-C4'-P energy: -123.070 tors. eta vs tors. theta energy: -215.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2380.060122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.060122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.060122 (E_RNA) where: Base-Base interactions energy: -1650.506 where: short stacking energy: -710.807 Base-Backbone interact. energy: -0.795 local terms energy: -728.759065 where: bonds (distance) C4'-P energy: -126.540 bonds (distance) P-C4' energy: -136.966 flat angles C4'-P-C4' energy: -161.120 flat angles P-C4'-P energy: -94.041 tors. eta vs tors. theta energy: -210.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -2014.086415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.086415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.086415 (E_RNA) where: Base-Base interactions energy: -1379.761 where: short stacking energy: -626.337 Base-Backbone interact. energy: -2.396 local terms energy: -631.929815 where: bonds (distance) C4'-P energy: -121.461 bonds (distance) P-C4' energy: -134.200 flat angles C4'-P-C4' energy: -140.999 flat angles P-C4'-P energy: -83.680 tors. eta vs tors. theta energy: -151.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1408.810900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.810900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.810900 (E_RNA) where: Base-Base interactions energy: -864.215 where: short stacking energy: -417.459 Base-Backbone interact. energy: 4.392 local terms energy: -548.987790 where: bonds (distance) C4'-P energy: -146.952 bonds (distance) P-C4' energy: -116.408 flat angles C4'-P-C4' energy: -109.924 flat angles P-C4'-P energy: -101.623 tors. eta vs tors. theta energy: -74.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1166.044680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.044680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.044680 (E_RNA) where: Base-Base interactions energy: -657.823 where: short stacking energy: -317.196 Base-Backbone interact. energy: 6.178 local terms energy: -514.399684 where: bonds (distance) C4'-P energy: -137.665 bonds (distance) P-C4' energy: -139.198 flat angles C4'-P-C4' energy: -122.976 flat angles P-C4'-P energy: -82.027 tors. eta vs tors. theta energy: -32.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3130.755944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.755944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.755944 (E_RNA) where: Base-Base interactions energy: -2187.350 where: short stacking energy: -938.584 Base-Backbone interact. energy: -5.463 local terms energy: -937.943740 where: bonds (distance) C4'-P energy: -174.785 bonds (distance) P-C4' energy: -171.857 flat angles C4'-P-C4' energy: -192.056 flat angles P-C4'-P energy: -122.382 tors. eta vs tors. theta energy: -276.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -3043.717582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.717582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.717582 (E_RNA) where: Base-Base interactions energy: -2139.001 where: short stacking energy: -935.080 Base-Backbone interact. energy: -3.777 local terms energy: -900.939550 where: bonds (distance) C4'-P energy: -145.141 bonds (distance) P-C4' energy: -175.693 flat angles C4'-P-C4' energy: -191.344 flat angles P-C4'-P energy: -112.507 tors. eta vs tors. theta energy: -276.253 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: 4 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2933.031793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.031793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.031793 (E_RNA) where: Base-Base interactions energy: -2057.833 where: short stacking energy: -852.484 Base-Backbone interact. energy: -5.123 local terms energy: -870.075487 where: bonds (distance) C4'-P energy: -159.247 bonds (distance) P-C4' energy: -157.987 flat angles C4'-P-C4' energy: -176.229 flat angles P-C4'-P energy: -123.652 tors. eta vs tors. theta energy: -252.960 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: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2815.175155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.175155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.175155 (E_RNA) where: Base-Base interactions energy: -1969.048 where: short stacking energy: -840.300 Base-Backbone interact. energy: -0.545 local terms energy: -845.582040 where: bonds (distance) C4'-P energy: -147.044 bonds (distance) P-C4' energy: -142.411 flat angles C4'-P-C4' energy: -182.565 flat angles P-C4'-P energy: -118.017 tors. eta vs tors. theta energy: -255.546 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: 7 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2660.565803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.565803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.565803 (E_RNA) where: Base-Base interactions energy: -1861.220 where: short stacking energy: -815.219 Base-Backbone interact. energy: 1.180 local terms energy: -800.526601 where: bonds (distance) C4'-P energy: -149.275 bonds (distance) P-C4' energy: -155.275 flat angles C4'-P-C4' energy: -148.101 flat angles P-C4'-P energy: -120.518 tors. eta vs tors. theta energy: -227.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2634.631220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.631220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.631220 (E_RNA) where: Base-Base interactions energy: -1871.353 where: short stacking energy: -802.174 Base-Backbone interact. energy: -1.646 local terms energy: -761.632891 where: bonds (distance) C4'-P energy: -143.808 bonds (distance) P-C4' energy: -132.806 flat angles C4'-P-C4' energy: -144.513 flat angles P-C4'-P energy: -117.813 tors. eta vs tors. theta energy: -222.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2371.314149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.314149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.314149 (E_RNA) where: Base-Base interactions energy: -1647.994 where: short stacking energy: -725.064 Base-Backbone interact. energy: -2.073 local terms energy: -721.246978 where: bonds (distance) C4'-P energy: -129.197 bonds (distance) P-C4' energy: -126.015 flat angles C4'-P-C4' energy: -168.856 flat angles P-C4'-P energy: -103.119 tors. eta vs tors. theta energy: -194.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -2120.985088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.985088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.985088 (E_RNA) where: Base-Base interactions energy: -1420.798 where: short stacking energy: -612.537 Base-Backbone interact. energy: -3.253 local terms energy: -696.933829 where: bonds (distance) C4'-P energy: -147.799 bonds (distance) P-C4' energy: -137.037 flat angles C4'-P-C4' energy: -156.435 flat angles P-C4'-P energy: -96.917 tors. eta vs tors. theta energy: -158.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1456.858011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.858011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.858011 (E_RNA) where: Base-Base interactions energy: -883.557 where: short stacking energy: -403.130 Base-Backbone interact. energy: -3.841 local terms energy: -569.459969 where: bonds (distance) C4'-P energy: -146.444 bonds (distance) P-C4' energy: -140.543 flat angles C4'-P-C4' energy: -124.546 flat angles P-C4'-P energy: -78.595 tors. eta vs tors. theta energy: -79.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1072.738340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.738340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.738340 (E_RNA) where: Base-Base interactions energy: -628.931 where: short stacking energy: -323.591 Base-Backbone interact. energy: -2.477 local terms energy: -441.331023 where: bonds (distance) C4'-P energy: -121.413 bonds (distance) P-C4' energy: -146.406 flat angles C4'-P-C4' energy: -113.793 flat angles P-C4'-P energy: -49.796 tors. eta vs tors. theta energy: -9.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3126.364631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.364631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.364631 (E_RNA) where: Base-Base interactions energy: -2237.127 where: short stacking energy: -938.229 Base-Backbone interact. energy: -3.765 local terms energy: -885.473021 where: bonds (distance) C4'-P energy: -146.614 bonds (distance) P-C4' energy: -151.320 flat angles C4'-P-C4' energy: -182.523 flat angles P-C4'-P energy: -131.891 tors. eta vs tors. theta energy: -273.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -3040.532034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.532034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.532034 (E_RNA) where: Base-Base interactions energy: -2144.566 where: short stacking energy: -935.921 Base-Backbone interact. energy: -5.021 local terms energy: -890.944795 where: bonds (distance) C4'-P energy: -143.058 bonds (distance) P-C4' energy: -147.445 flat angles C4'-P-C4' energy: -196.470 flat angles P-C4'-P energy: -133.103 tors. eta vs tors. theta energy: -270.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2905.612447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.612447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.612447 (E_RNA) where: Base-Base interactions energy: -2038.019 where: short stacking energy: -849.840 Base-Backbone interact. energy: 0.473 local terms energy: -868.066275 where: bonds (distance) C4'-P energy: -154.981 bonds (distance) P-C4' energy: -154.738 flat angles C4'-P-C4' energy: -168.832 flat angles P-C4'-P energy: -128.317 tors. eta vs tors. theta energy: -261.198 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: 4, replica: 8 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2818.368617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.368617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.368617 (E_RNA) where: Base-Base interactions energy: -1988.767 where: short stacking energy: -853.891 Base-Backbone interact. energy: -0.987 local terms energy: -828.614879 where: bonds (distance) C4'-P energy: -154.316 bonds (distance) P-C4' energy: -145.995 flat angles C4'-P-C4' energy: -176.923 flat angles P-C4'-P energy: -107.724 tors. eta vs tors. theta energy: -243.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2644.308738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.308738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.308738 (E_RNA) where: Base-Base interactions energy: -1822.397 where: short stacking energy: -763.118 Base-Backbone interact. energy: -0.694 local terms energy: -821.218002 where: bonds (distance) C4'-P energy: -140.558 bonds (distance) P-C4' energy: -164.138 flat angles C4'-P-C4' energy: -187.845 flat angles P-C4'-P energy: -118.647 tors. eta vs tors. theta energy: -210.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2623.687166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.687166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.687166 (E_RNA) where: Base-Base interactions energy: -1832.730 where: short stacking energy: -809.093 Base-Backbone interact. energy: 1.136 local terms energy: -792.092641 where: bonds (distance) C4'-P energy: -126.401 bonds (distance) P-C4' energy: -140.035 flat angles C4'-P-C4' energy: -169.252 flat angles P-C4'-P energy: -124.545 tors. eta vs tors. theta energy: -231.859 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: 2 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2402.530138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.530138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.530138 (E_RNA) where: Base-Base interactions energy: -1640.017 where: short stacking energy: -719.549 Base-Backbone interact. energy: -0.549 local terms energy: -761.963829 where: bonds (distance) C4'-P energy: -135.992 bonds (distance) P-C4' energy: -144.397 flat angles C4'-P-C4' energy: -167.042 flat angles P-C4'-P energy: -104.100 tors. eta vs tors. theta energy: -210.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -2185.774810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.774810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.774810 (E_RNA) where: Base-Base interactions energy: -1516.268 where: short stacking energy: -662.157 Base-Backbone interact. energy: -3.752 local terms energy: -665.754640 where: bonds (distance) C4'-P energy: -122.763 bonds (distance) P-C4' energy: -121.446 flat angles C4'-P-C4' energy: -151.907 flat angles P-C4'-P energy: -97.142 tors. eta vs tors. theta energy: -172.496 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: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1459.449753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.449753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.449753 (E_RNA) where: Base-Base interactions energy: -874.389 where: short stacking energy: -389.754 Base-Backbone interact. energy: 1.396 local terms energy: -586.457197 where: bonds (distance) C4'-P energy: -149.864 bonds (distance) P-C4' energy: -147.729 flat angles C4'-P-C4' energy: -148.665 flat angles P-C4'-P energy: -85.338 tors. eta vs tors. theta energy: -54.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1118.315382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.315382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.315382 (E_RNA) where: Base-Base interactions energy: -664.519 where: short stacking energy: -324.449 Base-Backbone interact. energy: -1.429 local terms energy: -452.367363 where: bonds (distance) C4'-P energy: -127.296 bonds (distance) P-C4' energy: -128.297 flat angles C4'-P-C4' energy: -122.237 flat angles P-C4'-P energy: -64.885 tors. eta vs tors. theta energy: -9.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3125.398883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.398883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.398883 (E_RNA) where: Base-Base interactions energy: -2206.616 where: short stacking energy: -926.041 Base-Backbone interact. energy: -2.784 local terms energy: -915.999197 where: bonds (distance) C4'-P energy: -164.596 bonds (distance) P-C4' energy: -166.707 flat angles C4'-P-C4' energy: -189.056 flat angles P-C4'-P energy: -119.994 tors. eta vs tors. theta energy: -275.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -3061.594232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.594232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.594232 (E_RNA) where: Base-Base interactions energy: -2119.258 where: short stacking energy: -942.693 Base-Backbone interact. energy: -1.984 local terms energy: -940.352360 where: bonds (distance) C4'-P energy: -157.326 bonds (distance) P-C4' energy: -177.905 flat angles C4'-P-C4' energy: -190.563 flat angles P-C4'-P energy: -145.555 tors. eta vs tors. theta energy: -269.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2925.638376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.638376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.638376 (E_RNA) where: Base-Base interactions energy: -2057.154 where: short stacking energy: -850.280 Base-Backbone interact. energy: -3.125 local terms energy: -865.358624 where: bonds (distance) C4'-P energy: -146.933 bonds (distance) P-C4' energy: -148.508 flat angles C4'-P-C4' energy: -185.680 flat angles P-C4'-P energy: -133.594 tors. eta vs tors. theta energy: -250.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2809.834461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.834461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.834461 (E_RNA) where: Base-Base interactions energy: -1966.996 where: short stacking energy: -870.543 Base-Backbone interact. energy: -2.932 local terms energy: -839.906183 where: bonds (distance) C4'-P energy: -161.272 bonds (distance) P-C4' energy: -147.369 flat angles C4'-P-C4' energy: -178.588 flat angles P-C4'-P energy: -105.327 tors. eta vs tors. theta energy: -247.350 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: 5, replica: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2607.896538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.896538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.896538 (E_RNA) where: Base-Base interactions energy: -1820.497 where: short stacking energy: -802.377 Base-Backbone interact. energy: -0.718 local terms energy: -786.681384 where: bonds (distance) C4'-P energy: -122.860 bonds (distance) P-C4' energy: -149.501 flat angles C4'-P-C4' energy: -188.144 flat angles P-C4'-P energy: -109.639 tors. eta vs tors. theta energy: -216.537 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: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2609.742811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.742811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.742811 (E_RNA) where: Base-Base interactions energy: -1812.262 where: short stacking energy: -796.311 Base-Backbone interact. energy: -3.869 local terms energy: -793.611835 where: bonds (distance) C4'-P energy: -144.900 bonds (distance) P-C4' energy: -145.511 flat angles C4'-P-C4' energy: -162.658 flat angles P-C4'-P energy: -117.020 tors. eta vs tors. theta energy: -223.523 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: 446 Temperature: 1.200000 Total energy: -2358.683288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.683288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.683288 (E_RNA) where: Base-Base interactions energy: -1566.546 where: short stacking energy: -701.906 Base-Backbone interact. energy: -4.211 local terms energy: -787.926463 where: bonds (distance) C4'-P energy: -158.877 bonds (distance) P-C4' energy: -153.081 flat angles C4'-P-C4' energy: -159.326 flat angles P-C4'-P energy: -109.293 tors. eta vs tors. theta energy: -207.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -2169.568578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.568578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.568578 (E_RNA) where: Base-Base interactions energy: -1506.139 where: short stacking energy: -647.571 Base-Backbone interact. energy: -0.876 local terms energy: -662.553192 where: bonds (distance) C4'-P energy: -135.844 bonds (distance) P-C4' energy: -139.911 flat angles C4'-P-C4' energy: -148.894 flat angles P-C4'-P energy: -81.977 tors. eta vs tors. theta energy: -155.928 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: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1396.439889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.439889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.439889 (E_RNA) where: Base-Base interactions energy: -867.042 where: short stacking energy: -402.486 Base-Backbone interact. energy: -1.890 local terms energy: -527.508498 where: bonds (distance) C4'-P energy: -134.877 bonds (distance) P-C4' energy: -140.866 flat angles C4'-P-C4' energy: -112.908 flat angles P-C4'-P energy: -74.780 tors. eta vs tors. theta energy: -64.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1115.136960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.136960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.136960 (E_RNA) where: Base-Base interactions energy: -631.293 where: short stacking energy: -321.419 Base-Backbone interact. energy: -0.216 local terms energy: -483.627844 where: bonds (distance) C4'-P energy: -132.265 bonds (distance) P-C4' energy: -133.773 flat angles C4'-P-C4' energy: -141.484 flat angles P-C4'-P energy: -65.836 tors. eta vs tors. theta energy: -10.270 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: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3112.802768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.802768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.802768 (E_RNA) where: Base-Base interactions energy: -2193.454 where: short stacking energy: -902.821 Base-Backbone interact. energy: -5.549 local terms energy: -913.800295 where: bonds (distance) C4'-P energy: -171.610 bonds (distance) P-C4' energy: -159.972 flat angles C4'-P-C4' energy: -187.426 flat angles P-C4'-P energy: -129.910 tors. eta vs tors. theta energy: -264.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -3046.864184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.864184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.864184 (E_RNA) where: Base-Base interactions energy: -2135.986 where: short stacking energy: -932.535 Base-Backbone interact. energy: -3.913 local terms energy: -906.964896 where: bonds (distance) C4'-P energy: -164.748 bonds (distance) P-C4' energy: -150.396 flat angles C4'-P-C4' energy: -183.807 flat angles P-C4'-P energy: -133.241 tors. eta vs tors. theta energy: -274.772 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: 4 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -2943.537753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.537753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.537753 (E_RNA) where: Base-Base interactions energy: -2095.961 where: short stacking energy: -890.681 Base-Backbone interact. energy: -3.571 local terms energy: -844.006556 where: bonds (distance) C4'-P energy: -133.227 bonds (distance) P-C4' energy: -153.118 flat angles C4'-P-C4' energy: -180.220 flat angles P-C4'-P energy: -113.371 tors. eta vs tors. theta energy: -264.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2818.562032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.562032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.562032 (E_RNA) where: Base-Base interactions energy: -1990.967 where: short stacking energy: -863.492 Base-Backbone interact. energy: -1.994 local terms energy: -825.601260 where: bonds (distance) C4'-P energy: -131.995 bonds (distance) P-C4' energy: -153.098 flat angles C4'-P-C4' energy: -180.629 flat angles P-C4'-P energy: -119.913 tors. eta vs tors. theta energy: -239.966 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: 7 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2633.321290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.321290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.321290 (E_RNA) where: Base-Base interactions energy: -1838.683 where: short stacking energy: -785.959 Base-Backbone interact. energy: -7.319 local terms energy: -787.318735 where: bonds (distance) C4'-P energy: -133.619 bonds (distance) P-C4' energy: -157.336 flat angles C4'-P-C4' energy: -167.877 flat angles P-C4'-P energy: -92.306 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: 6, replica: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2572.892695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.892695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.892695 (E_RNA) where: Base-Base interactions energy: -1780.959 where: short stacking energy: -750.005 Base-Backbone interact. energy: -2.366 local terms energy: -789.567805 where: bonds (distance) C4'-P energy: -142.586 bonds (distance) P-C4' energy: -160.569 flat angles C4'-P-C4' energy: -177.829 flat angles P-C4'-P energy: -88.849 tors. eta vs tors. theta energy: -219.735 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: 447 Temperature: 1.200000 Total energy: -2297.107329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.107329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.107329 (E_RNA) where: Base-Base interactions energy: -1562.540 where: short stacking energy: -682.798 Base-Backbone interact. energy: -4.565 local terms energy: -730.002393 where: bonds (distance) C4'-P energy: -152.339 bonds (distance) P-C4' energy: -133.867 flat angles C4'-P-C4' energy: -167.264 flat angles P-C4'-P energy: -98.141 tors. eta vs tors. theta energy: -178.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -2214.751659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.751659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.751659 (E_RNA) where: Base-Base interactions energy: -1518.540 where: short stacking energy: -687.080 Base-Backbone interact. energy: -2.958 local terms energy: -693.253909 where: bonds (distance) C4'-P energy: -116.203 bonds (distance) P-C4' energy: -138.776 flat angles C4'-P-C4' energy: -155.446 flat angles P-C4'-P energy: -96.865 tors. eta vs tors. theta energy: -185.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1481.449600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.449600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.449600 (E_RNA) where: Base-Base interactions energy: -959.816 where: short stacking energy: -449.398 Base-Backbone interact. energy: -0.242 local terms energy: -521.391008 where: bonds (distance) C4'-P energy: -115.331 bonds (distance) P-C4' energy: -116.125 flat angles C4'-P-C4' energy: -134.875 flat angles P-C4'-P energy: -80.625 tors. eta vs tors. theta energy: -74.435 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: 9 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1077.849357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.849357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.849357 (E_RNA) where: Base-Base interactions energy: -607.751 where: short stacking energy: -311.512 Base-Backbone interact. energy: 4.955 local terms energy: -475.053189 where: bonds (distance) C4'-P energy: -122.798 bonds (distance) P-C4' energy: -141.107 flat angles C4'-P-C4' energy: -122.558 flat angles P-C4'-P energy: -63.925 tors. eta vs tors. theta energy: -24.666 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: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3114.056395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.056395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.056395 (E_RNA) where: Base-Base interactions energy: -2181.022 where: short stacking energy: -917.605 Base-Backbone interact. energy: -2.446 local terms energy: -930.588346 where: bonds (distance) C4'-P energy: -162.149 bonds (distance) P-C4' energy: -164.651 flat angles C4'-P-C4' energy: -190.575 flat angles P-C4'-P energy: -139.509 tors. eta vs tors. theta energy: -273.705 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: 2, replica: 5 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -3038.296826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.296826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.296826 (E_RNA) where: Base-Base interactions energy: -2135.442 where: short stacking energy: -928.930 Base-Backbone interact. energy: -1.808 local terms energy: -901.047037 where: bonds (distance) C4'-P energy: -163.228 bonds (distance) P-C4' energy: -153.788 flat angles C4'-P-C4' energy: -190.436 flat angles P-C4'-P energy: -123.718 tors. eta vs tors. theta energy: -269.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -2940.985437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.985437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.985437 (E_RNA) where: Base-Base interactions energy: -2061.425 where: short stacking energy: -875.575 Base-Backbone interact. energy: -3.005 local terms energy: -876.555518 where: bonds (distance) C4'-P energy: -153.505 bonds (distance) P-C4' energy: -171.303 flat angles C4'-P-C4' energy: -180.756 flat angles P-C4'-P energy: -124.350 tors. eta vs tors. theta energy: -246.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2795.154191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.154191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.154191 (E_RNA) where: Base-Base interactions energy: -1957.165 where: short stacking energy: -850.895 Base-Backbone interact. energy: -1.432 local terms energy: -836.557498 where: bonds (distance) C4'-P energy: -146.300 bonds (distance) P-C4' energy: -156.194 flat angles C4'-P-C4' energy: -181.004 flat angles P-C4'-P energy: -116.513 tors. eta vs tors. theta energy: -236.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2735.170725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.170725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.170725 (E_RNA) where: Base-Base interactions energy: -1905.953 where: short stacking energy: -804.409 Base-Backbone interact. energy: -4.494 local terms energy: -824.723664 where: bonds (distance) C4'-P energy: -153.761 bonds (distance) P-C4' energy: -160.094 flat angles C4'-P-C4' energy: -169.700 flat angles P-C4'-P energy: -109.967 tors. eta vs tors. theta energy: -231.201 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: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2574.418220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.418220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.418220 (E_RNA) where: Base-Base interactions energy: -1814.982 where: short stacking energy: -801.252 Base-Backbone interact. energy: 2.924 local terms energy: -762.360877 where: bonds (distance) C4'-P energy: -132.937 bonds (distance) P-C4' energy: -133.715 flat angles C4'-P-C4' energy: -163.626 flat angles P-C4'-P energy: -104.189 tors. eta vs tors. theta energy: -227.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2378.841261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.841261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.841261 (E_RNA) where: Base-Base interactions energy: -1594.996 where: short stacking energy: -709.024 Base-Backbone interact. energy: -2.376 local terms energy: -781.468832 where: bonds (distance) C4'-P energy: -132.485 bonds (distance) P-C4' energy: -165.280 flat angles C4'-P-C4' energy: -175.557 flat angles P-C4'-P energy: -112.749 tors. eta vs tors. theta energy: -195.398 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: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -2197.330604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.330604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.330604 (E_RNA) where: Base-Base interactions energy: -1492.888 where: short stacking energy: -653.861 Base-Backbone interact. energy: -2.899 local terms energy: -701.544550 where: bonds (distance) C4'-P energy: -133.212 bonds (distance) P-C4' energy: -139.248 flat angles C4'-P-C4' energy: -156.448 flat angles P-C4'-P energy: -99.399 tors. eta vs tors. theta energy: -173.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1484.794329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.794329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.794329 (E_RNA) where: Base-Base interactions energy: -939.652 where: short stacking energy: -429.893 Base-Backbone interact. energy: -2.567 local terms energy: -542.575452 where: bonds (distance) C4'-P energy: -134.141 bonds (distance) P-C4' energy: -138.025 flat angles C4'-P-C4' energy: -129.344 flat angles P-C4'-P energy: -86.143 tors. eta vs tors. theta energy: -54.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1089.402234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.402234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.402234 (E_RNA) where: Base-Base interactions energy: -627.497 where: short stacking energy: -341.895 Base-Backbone interact. energy: 6.673 local terms energy: -468.578595 where: bonds (distance) C4'-P energy: -120.754 bonds (distance) P-C4' energy: -140.403 flat angles C4'-P-C4' energy: -120.202 flat angles P-C4'-P energy: -75.531 tors. eta vs tors. theta energy: -11.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3104.241160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.241160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.241160 (E_RNA) where: Base-Base interactions energy: -2183.369 where: short stacking energy: -919.748 Base-Backbone interact. energy: -0.300 local terms energy: -920.572473 where: bonds (distance) C4'-P energy: -151.235 bonds (distance) P-C4' energy: -164.186 flat angles C4'-P-C4' energy: -198.352 flat angles P-C4'-P energy: -140.399 tors. eta vs tors. theta energy: -266.401 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: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -3045.150570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.150570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.150570 (E_RNA) where: Base-Base interactions energy: -2133.516 where: short stacking energy: -946.539 Base-Backbone interact. energy: -5.734 local terms energy: -905.900512 where: bonds (distance) C4'-P energy: -161.755 bonds (distance) P-C4' energy: -158.510 flat angles C4'-P-C4' energy: -192.821 flat angles P-C4'-P energy: -116.777 tors. eta vs tors. theta energy: -276.038 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: 4 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2958.501734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.501734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.501734 (E_RNA) where: Base-Base interactions energy: -2075.824 where: short stacking energy: -883.314 Base-Backbone interact. energy: -4.056 local terms energy: -878.621681 where: bonds (distance) C4'-P energy: -142.367 bonds (distance) P-C4' energy: -156.632 flat angles C4'-P-C4' energy: -194.412 flat angles P-C4'-P energy: -128.180 tors. eta vs tors. theta energy: -257.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2818.726482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.726482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.726482 (E_RNA) where: Base-Base interactions energy: -1946.669 where: short stacking energy: -848.911 Base-Backbone interact. energy: -4.869 local terms energy: -867.188530 where: bonds (distance) C4'-P energy: -142.085 bonds (distance) P-C4' energy: -151.168 flat angles C4'-P-C4' energy: -192.233 flat angles P-C4'-P energy: -125.603 tors. eta vs tors. theta energy: -256.099 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: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2708.657801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.657801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.657801 (E_RNA) where: Base-Base interactions energy: -1895.604 where: short stacking energy: -813.196 Base-Backbone interact. energy: -2.629 local terms energy: -810.424078 where: bonds (distance) C4'-P energy: -165.440 bonds (distance) P-C4' energy: -161.493 flat angles C4'-P-C4' energy: -167.522 flat angles P-C4'-P energy: -93.198 tors. eta vs tors. theta energy: -222.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2611.862148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.862148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.862148 (E_RNA) where: Base-Base interactions energy: -1804.831 where: short stacking energy: -763.222 Base-Backbone interact. energy: -3.088 local terms energy: -803.942662 where: bonds (distance) C4'-P energy: -140.853 bonds (distance) P-C4' energy: -150.965 flat angles C4'-P-C4' energy: -169.583 flat angles P-C4'-P energy: -110.945 tors. eta vs tors. theta energy: -231.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2300.100687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.100687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.100687 (E_RNA) where: Base-Base interactions energy: -1552.921 where: short stacking energy: -696.768 Base-Backbone interact. energy: -1.975 local terms energy: -745.204325 where: bonds (distance) C4'-P energy: -149.565 bonds (distance) P-C4' energy: -139.842 flat angles C4'-P-C4' energy: -158.973 flat angles P-C4'-P energy: -94.483 tors. eta vs tors. theta energy: -202.341 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: 8, replica: 1 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -2126.296662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.296662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.296662 (E_RNA) where: Base-Base interactions energy: -1448.514 where: short stacking energy: -629.214 Base-Backbone interact. energy: -3.437 local terms energy: -674.346168 where: bonds (distance) C4'-P energy: -121.711 bonds (distance) P-C4' energy: -146.311 flat angles C4'-P-C4' energy: -144.100 flat angles P-C4'-P energy: -100.281 tors. eta vs tors. theta energy: -161.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1516.090366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.090366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.090366 (E_RNA) where: Base-Base interactions energy: -992.264 where: short stacking energy: -465.165 Base-Backbone interact. energy: 1.721 local terms energy: -525.548167 where: bonds (distance) C4'-P energy: -135.985 bonds (distance) P-C4' energy: -115.155 flat angles C4'-P-C4' energy: -124.351 flat angles P-C4'-P energy: -69.868 tors. eta vs tors. theta energy: -80.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1112.114836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.114836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.114836 (E_RNA) where: Base-Base interactions energy: -633.287 where: short stacking energy: -315.017 Base-Backbone interact. energy: 11.535 local terms energy: -490.362781 where: bonds (distance) C4'-P energy: -128.037 bonds (distance) P-C4' energy: -134.568 flat angles C4'-P-C4' energy: -124.218 flat angles P-C4'-P energy: -76.082 tors. eta vs tors. theta energy: -27.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3117.924683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.924683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.924683 (E_RNA) where: Base-Base interactions energy: -2187.244 where: short stacking energy: -907.583 Base-Backbone interact. energy: -4.509 local terms energy: -926.171918 where: bonds (distance) C4'-P energy: -162.835 bonds (distance) P-C4' energy: -173.192 flat angles C4'-P-C4' energy: -193.165 flat angles P-C4'-P energy: -123.353 tors. eta vs tors. theta energy: -273.627 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: 2, replica: 5 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -3024.856565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.856565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.856565 (E_RNA) where: Base-Base interactions energy: -2120.038 where: short stacking energy: -913.942 Base-Backbone interact. energy: -0.662 local terms energy: -904.156063 where: bonds (distance) C4'-P energy: -142.010 bonds (distance) P-C4' energy: -159.605 flat angles C4'-P-C4' energy: -193.467 flat angles P-C4'-P energy: -135.722 tors. eta vs tors. theta energy: -273.351 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: 4 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2982.893677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.893677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.893677 (E_RNA) where: Base-Base interactions energy: -2078.214 where: short stacking energy: -882.218 Base-Backbone interact. energy: -6.187 local terms energy: -898.492532 where: bonds (distance) C4'-P energy: -159.952 bonds (distance) P-C4' energy: -153.971 flat angles C4'-P-C4' energy: -183.424 flat angles P-C4'-P energy: -138.168 tors. eta vs tors. theta energy: -262.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2819.040028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.040028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.040028 (E_RNA) where: Base-Base interactions energy: -1970.710 where: short stacking energy: -835.089 Base-Backbone interact. energy: -3.461 local terms energy: -844.869638 where: bonds (distance) C4'-P energy: -139.963 bonds (distance) P-C4' energy: -155.421 flat angles C4'-P-C4' energy: -195.730 flat angles P-C4'-P energy: -117.229 tors. eta vs tors. theta energy: -236.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2684.092810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.092810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.092810 (E_RNA) where: Base-Base interactions energy: -1903.169 where: short stacking energy: -793.863 Base-Backbone interact. energy: -5.538 local terms energy: -775.385462 where: bonds (distance) C4'-P energy: -131.014 bonds (distance) P-C4' energy: -148.415 flat angles C4'-P-C4' energy: -164.583 flat angles P-C4'-P energy: -101.282 tors. eta vs tors. theta energy: -230.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2552.127301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.127301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.127301 (E_RNA) where: Base-Base interactions energy: -1771.603 where: short stacking energy: -770.542 Base-Backbone interact. energy: -1.487 local terms energy: -779.037270 where: bonds (distance) C4'-P energy: -147.083 bonds (distance) P-C4' energy: -137.522 flat angles C4'-P-C4' energy: -177.101 flat angles P-C4'-P energy: -91.023 tors. eta vs tors. theta energy: -226.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2375.795364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.795364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.795364 (E_RNA) where: Base-Base interactions energy: -1643.469 where: short stacking energy: -722.900 Base-Backbone interact. energy: -0.415 local terms energy: -731.911801 where: bonds (distance) C4'-P energy: -137.240 bonds (distance) P-C4' energy: -129.606 flat angles C4'-P-C4' energy: -151.747 flat angles P-C4'-P energy: -96.488 tors. eta vs tors. theta energy: -216.831 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: 8, replica: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -2136.222890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.222890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.222890 (E_RNA) where: Base-Base interactions energy: -1459.187 where: short stacking energy: -647.439 Base-Backbone interact. energy: -0.303 local terms energy: -676.732612 where: bonds (distance) C4'-P energy: -119.625 bonds (distance) P-C4' energy: -153.745 flat angles C4'-P-C4' energy: -156.428 flat angles P-C4'-P energy: -91.733 tors. eta vs tors. theta energy: -155.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1669.417810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.417810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.417810 (E_RNA) where: Base-Base interactions energy: -1074.275 where: short stacking energy: -490.871 Base-Backbone interact. energy: -2.266 local terms energy: -592.877017 where: bonds (distance) C4'-P energy: -141.403 bonds (distance) P-C4' energy: -130.060 flat angles C4'-P-C4' energy: -130.821 flat angles P-C4'-P energy: -86.802 tors. eta vs tors. theta energy: -103.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1102.091298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.091298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.091298 (E_RNA) where: Base-Base interactions energy: -629.665 where: short stacking energy: -297.770 Base-Backbone interact. energy: 4.507 local terms energy: -476.932903 where: bonds (distance) C4'-P energy: -118.435 bonds (distance) P-C4' energy: -139.920 flat angles C4'-P-C4' energy: -117.244 flat angles P-C4'-P energy: -80.921 tors. eta vs tors. theta energy: -20.412 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: 451 Temperature: 0.900000 Total energy: -3117.340015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.340015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.340015 (E_RNA) where: Base-Base interactions energy: -2187.242 where: short stacking energy: -912.686 Base-Backbone interact. energy: -4.983 local terms energy: -925.115543 where: bonds (distance) C4'-P energy: -165.897 bonds (distance) P-C4' energy: -166.679 flat angles C4'-P-C4' energy: -197.744 flat angles P-C4'-P energy: -131.971 tors. eta vs tors. theta energy: -262.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -3038.224104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.224104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.224104 (E_RNA) where: Base-Base interactions energy: -2122.940 where: short stacking energy: -908.695 Base-Backbone interact. energy: -0.325 local terms energy: -914.958952 where: bonds (distance) C4'-P energy: -159.598 bonds (distance) P-C4' energy: -159.153 flat angles C4'-P-C4' energy: -197.529 flat angles P-C4'-P energy: -125.525 tors. eta vs tors. theta energy: -273.153 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: 4 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2915.445045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.445045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.445045 (E_RNA) where: Base-Base interactions energy: -2067.648 where: short stacking energy: -869.968 Base-Backbone interact. energy: -5.093 local terms energy: -842.703671 where: bonds (distance) C4'-P energy: -146.481 bonds (distance) P-C4' energy: -159.517 flat angles C4'-P-C4' energy: -184.635 flat angles P-C4'-P energy: -102.706 tors. eta vs tors. theta energy: -249.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2801.352684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.352684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.352684 (E_RNA) where: Base-Base interactions energy: -1932.040 where: short stacking energy: -832.921 Base-Backbone interact. energy: -3.117 local terms energy: -866.196262 where: bonds (distance) C4'-P energy: -143.018 bonds (distance) P-C4' energy: -161.861 flat angles C4'-P-C4' energy: -188.343 flat angles P-C4'-P energy: -132.884 tors. eta vs tors. theta energy: -240.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2711.990599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.990599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.990599 (E_RNA) where: Base-Base interactions energy: -1910.502 where: short stacking energy: -829.376 Base-Backbone interact. energy: -1.593 local terms energy: -799.895415 where: bonds (distance) C4'-P energy: -133.063 bonds (distance) P-C4' energy: -133.720 flat angles C4'-P-C4' energy: -174.220 flat angles P-C4'-P energy: -119.612 tors. eta vs tors. theta energy: -239.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2587.261427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.261427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.261427 (E_RNA) where: Base-Base interactions energy: -1815.988 where: short stacking energy: -776.127 Base-Backbone interact. energy: -4.446 local terms energy: -766.827515 where: bonds (distance) C4'-P energy: -141.406 bonds (distance) P-C4' energy: -146.414 flat angles C4'-P-C4' energy: -162.525 flat angles P-C4'-P energy: -111.829 tors. eta vs tors. theta energy: -204.655 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: 2 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2313.435984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.435984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.435984 (E_RNA) where: Base-Base interactions energy: -1626.088 where: short stacking energy: -712.746 Base-Backbone interact. energy: 2.431 local terms energy: -689.779499 where: bonds (distance) C4'-P energy: -125.000 bonds (distance) P-C4' energy: -151.118 flat angles C4'-P-C4' energy: -130.233 flat angles P-C4'-P energy: -101.417 tors. eta vs tors. theta energy: -182.011 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: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -2155.750253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.750253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.750253 (E_RNA) where: Base-Base interactions energy: -1489.099 where: short stacking energy: -648.867 Base-Backbone interact. energy: 0.110 local terms energy: -666.761353 where: bonds (distance) C4'-P energy: -133.387 bonds (distance) P-C4' energy: -139.673 flat angles C4'-P-C4' energy: -148.496 flat angles P-C4'-P energy: -91.400 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: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1724.347000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.347000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.347000 (E_RNA) where: Base-Base interactions energy: -1103.203 where: short stacking energy: -508.705 Base-Backbone interact. energy: 5.118 local terms energy: -626.261945 where: bonds (distance) C4'-P energy: -131.981 bonds (distance) P-C4' energy: -132.896 flat angles C4'-P-C4' energy: -146.408 flat angles P-C4'-P energy: -97.108 tors. eta vs tors. theta energy: -117.870 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: 10, replica: 9 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1085.877925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.877925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.877925 (E_RNA) where: Base-Base interactions energy: -595.455 where: short stacking energy: -293.611 Base-Backbone interact. energy: -1.987 local terms energy: -488.435442 where: bonds (distance) C4'-P energy: -130.703 bonds (distance) P-C4' energy: -138.498 flat angles C4'-P-C4' energy: -113.844 flat angles P-C4'-P energy: -79.685 tors. eta vs tors. theta energy: -25.705 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: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3122.228617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.228617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.228617 (E_RNA) where: Base-Base interactions energy: -2220.624 where: short stacking energy: -925.218 Base-Backbone interact. energy: -3.429 local terms energy: -898.176145 where: bonds (distance) C4'-P energy: -170.181 bonds (distance) P-C4' energy: -158.443 flat angles C4'-P-C4' energy: -185.866 flat angles P-C4'-P energy: -113.492 tors. eta vs tors. theta energy: -270.195 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: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -3043.431662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.431662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.431662 (E_RNA) where: Base-Base interactions energy: -2159.541 where: short stacking energy: -913.590 Base-Backbone interact. energy: -2.784 local terms energy: -881.105977 where: bonds (distance) C4'-P energy: -160.811 bonds (distance) P-C4' energy: -145.798 flat angles C4'-P-C4' energy: -184.779 flat angles P-C4'-P energy: -118.628 tors. eta vs tors. theta energy: -271.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2886.857326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.857326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.857326 (E_RNA) where: Base-Base interactions energy: -2027.273 where: short stacking energy: -866.677 Base-Backbone interact. energy: -3.730 local terms energy: -855.854313 where: bonds (distance) C4'-P energy: -144.220 bonds (distance) P-C4' energy: -149.210 flat angles C4'-P-C4' energy: -186.590 flat angles P-C4'-P energy: -124.092 tors. eta vs tors. theta energy: -251.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2840.540991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.540991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.540991 (E_RNA) where: Base-Base interactions energy: -1988.002 where: short stacking energy: -878.427 Base-Backbone interact. energy: -4.109 local terms energy: -848.429595 where: bonds (distance) C4'-P energy: -125.830 bonds (distance) P-C4' energy: -161.432 flat angles C4'-P-C4' energy: -187.552 flat angles P-C4'-P energy: -120.879 tors. eta vs tors. theta energy: -252.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2713.909642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.909642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.909642 (E_RNA) where: Base-Base interactions energy: -1896.010 where: short stacking energy: -819.724 Base-Backbone interact. energy: 1.104 local terms energy: -819.003797 where: bonds (distance) C4'-P energy: -152.631 bonds (distance) P-C4' energy: -142.384 flat angles C4'-P-C4' energy: -183.953 flat angles P-C4'-P energy: -104.738 tors. eta vs tors. theta energy: -235.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2505.882135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.882135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.882135 (E_RNA) where: Base-Base interactions energy: -1740.644 where: short stacking energy: -760.296 Base-Backbone interact. energy: -1.052 local terms energy: -764.185796 where: bonds (distance) C4'-P energy: -153.858 bonds (distance) P-C4' energy: -142.937 flat angles C4'-P-C4' energy: -158.893 flat angles P-C4'-P energy: -111.885 tors. eta vs tors. theta energy: -196.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2319.796495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.796495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.796495 (E_RNA) where: Base-Base interactions energy: -1573.503 where: short stacking energy: -669.446 Base-Backbone interact. energy: -2.703 local terms energy: -743.590819 where: bonds (distance) C4'-P energy: -137.086 bonds (distance) P-C4' energy: -163.666 flat angles C4'-P-C4' energy: -169.126 flat angles P-C4'-P energy: -102.671 tors. eta vs tors. theta energy: -171.042 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: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -2079.437927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.437927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.437927 (E_RNA) where: Base-Base interactions energy: -1418.327 where: short stacking energy: -642.940 Base-Backbone interact. energy: -5.954 local terms energy: -655.156434 where: bonds (distance) C4'-P energy: -133.055 bonds (distance) P-C4' energy: -125.587 flat angles C4'-P-C4' energy: -135.778 flat angles P-C4'-P energy: -100.642 tors. eta vs tors. theta energy: -160.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1611.529630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.529630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.529630 (E_RNA) where: Base-Base interactions energy: -1048.847 where: short stacking energy: -483.573 Base-Backbone interact. energy: 0.449 local terms energy: -563.131432 where: bonds (distance) C4'-P energy: -119.957 bonds (distance) P-C4' energy: -131.822 flat angles C4'-P-C4' energy: -126.243 flat angles P-C4'-P energy: -82.390 tors. eta vs tors. theta energy: -102.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1054.801412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.801412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.801412 (E_RNA) where: Base-Base interactions energy: -596.047 where: short stacking energy: -311.037 Base-Backbone interact. energy: 2.781 local terms energy: -461.535109 where: bonds (distance) C4'-P energy: -128.775 bonds (distance) P-C4' energy: -127.829 flat angles C4'-P-C4' energy: -119.431 flat angles P-C4'-P energy: -72.682 tors. eta vs tors. theta energy: -12.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3119.872874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.872874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.872874 (E_RNA) where: Base-Base interactions energy: -2206.532 where: short stacking energy: -916.652 Base-Backbone interact. energy: -3.273 local terms energy: -910.068828 where: bonds (distance) C4'-P energy: -161.738 bonds (distance) P-C4' energy: -171.374 flat angles C4'-P-C4' energy: -184.171 flat angles P-C4'-P energy: -116.533 tors. eta vs tors. theta energy: -276.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3017.234861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.234861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.234861 (E_RNA) where: Base-Base interactions energy: -2113.195 where: short stacking energy: -914.939 Base-Backbone interact. energy: -3.200 local terms energy: -900.839883 where: bonds (distance) C4'-P energy: -148.884 bonds (distance) P-C4' energy: -162.465 flat angles C4'-P-C4' energy: -189.129 flat angles P-C4'-P energy: -128.623 tors. eta vs tors. theta energy: -271.739 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: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2949.961798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.961798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.961798 (E_RNA) where: Base-Base interactions energy: -2060.767 where: short stacking energy: -862.437 Base-Backbone interact. energy: -0.627 local terms energy: -888.567939 where: bonds (distance) C4'-P energy: -158.288 bonds (distance) P-C4' energy: -145.119 flat angles C4'-P-C4' energy: -184.870 flat angles P-C4'-P energy: -144.180 tors. eta vs tors. theta energy: -256.111 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: 8 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2808.726934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.726934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.726934 (E_RNA) where: Base-Base interactions energy: -1963.705 where: short stacking energy: -866.651 Base-Backbone interact. energy: -1.815 local terms energy: -843.206170 where: bonds (distance) C4'-P energy: -159.589 bonds (distance) P-C4' energy: -137.529 flat angles C4'-P-C4' energy: -188.286 flat angles P-C4'-P energy: -117.674 tors. eta vs tors. theta energy: -240.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2736.034746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.034746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.034746 (E_RNA) where: Base-Base interactions energy: -1906.220 where: short stacking energy: -825.811 Base-Backbone interact. energy: -3.191 local terms energy: -826.623505 where: bonds (distance) C4'-P energy: -150.535 bonds (distance) P-C4' energy: -139.467 flat angles C4'-P-C4' energy: -187.772 flat angles P-C4'-P energy: -113.499 tors. eta vs tors. theta energy: -235.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2542.217149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.217149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.217149 (E_RNA) where: Base-Base interactions energy: -1772.619 where: short stacking energy: -772.820 Base-Backbone interact. energy: -1.133 local terms energy: -768.465484 where: bonds (distance) C4'-P energy: -125.240 bonds (distance) P-C4' energy: -112.929 flat angles C4'-P-C4' energy: -170.191 flat angles P-C4'-P energy: -123.155 tors. eta vs tors. theta energy: -236.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2304.277855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.277855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.277855 (E_RNA) where: Base-Base interactions energy: -1579.681 where: short stacking energy: -708.840 Base-Backbone interact. energy: 2.267 local terms energy: -726.863358 where: bonds (distance) C4'-P energy: -142.705 bonds (distance) P-C4' energy: -131.996 flat angles C4'-P-C4' energy: -151.775 flat angles P-C4'-P energy: -93.327 tors. eta vs tors. theta energy: -207.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -2057.349371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.349371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.349371 (E_RNA) where: Base-Base interactions energy: -1389.715 where: short stacking energy: -590.984 Base-Backbone interact. energy: -2.546 local terms energy: -665.088770 where: bonds (distance) C4'-P energy: -145.089 bonds (distance) P-C4' energy: -139.407 flat angles C4'-P-C4' energy: -140.863 flat angles P-C4'-P energy: -94.981 tors. eta vs tors. theta energy: -144.749 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: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1556.549597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.549597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.549597 (E_RNA) where: Base-Base interactions energy: -1012.498 where: short stacking energy: -479.666 Base-Backbone interact. energy: 0.449 local terms energy: -544.500049 where: bonds (distance) C4'-P energy: -96.445 bonds (distance) P-C4' energy: -135.417 flat angles C4'-P-C4' energy: -133.636 flat angles P-C4'-P energy: -88.847 tors. eta vs tors. theta energy: -90.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1065.245381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.245381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.245381 (E_RNA) where: Base-Base interactions energy: -563.246 where: short stacking energy: -281.630 Base-Backbone interact. energy: 1.779 local terms energy: -503.777843 where: bonds (distance) C4'-P energy: -147.385 bonds (distance) P-C4' energy: -152.881 flat angles C4'-P-C4' energy: -123.420 flat angles P-C4'-P energy: -69.101 tors. eta vs tors. theta energy: -10.990 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: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3105.985079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.985079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.985079 (E_RNA) where: Base-Base interactions energy: -2174.246 where: short stacking energy: -895.977 Base-Backbone interact. energy: -3.168 local terms energy: -928.571174 where: bonds (distance) C4'-P energy: -167.383 bonds (distance) P-C4' energy: -163.715 flat angles C4'-P-C4' energy: -174.192 flat angles P-C4'-P energy: -138.661 tors. eta vs tors. theta energy: -284.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -3031.522874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.522874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.522874 (E_RNA) where: Base-Base interactions energy: -2120.815 where: short stacking energy: -926.240 Base-Backbone interact. energy: -3.150 local terms energy: -907.557560 where: bonds (distance) C4'-P energy: -167.495 bonds (distance) P-C4' energy: -148.899 flat angles C4'-P-C4' energy: -192.445 flat angles P-C4'-P energy: -128.004 tors. eta vs tors. theta energy: -270.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2897.720223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.720223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.720223 (E_RNA) where: Base-Base interactions energy: -2031.857 where: short stacking energy: -867.569 Base-Backbone interact. energy: 0.883 local terms energy: -866.745711 where: bonds (distance) C4'-P energy: -159.055 bonds (distance) P-C4' energy: -148.820 flat angles C4'-P-C4' energy: -189.129 flat angles P-C4'-P energy: -114.949 tors. eta vs tors. theta energy: -254.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2804.976264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.976264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.976264 (E_RNA) where: Base-Base interactions energy: -1968.003 where: short stacking energy: -851.498 Base-Backbone interact. energy: 5.149 local terms energy: -842.122509 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -141.619 flat angles C4'-P-C4' energy: -199.003 flat angles P-C4'-P energy: -108.277 tors. eta vs tors. theta energy: -244.454 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: 454 Temperature: 1.100000 Total energy: -2710.003883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.003883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.003883 (E_RNA) where: Base-Base interactions energy: -1904.641 where: short stacking energy: -808.891 Base-Backbone interact. energy: -4.764 local terms energy: -800.598896 where: bonds (distance) C4'-P energy: -141.100 bonds (distance) P-C4' energy: -159.362 flat angles C4'-P-C4' energy: -164.706 flat angles P-C4'-P energy: -99.521 tors. eta vs tors. theta energy: -235.910 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: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2589.453259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.453259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.453259 (E_RNA) where: Base-Base interactions energy: -1811.412 where: short stacking energy: -777.901 Base-Backbone interact. energy: -4.517 local terms energy: -773.524342 where: bonds (distance) C4'-P energy: -145.592 bonds (distance) P-C4' energy: -136.752 flat angles C4'-P-C4' energy: -184.926 flat angles P-C4'-P energy: -93.180 tors. eta vs tors. theta energy: -213.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2279.443548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.443548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.443548 (E_RNA) where: Base-Base interactions energy: -1564.220 where: short stacking energy: -696.529 Base-Backbone interact. energy: -2.684 local terms energy: -712.540225 where: bonds (distance) C4'-P energy: -116.591 bonds (distance) P-C4' energy: -151.355 flat angles C4'-P-C4' energy: -157.141 flat angles P-C4'-P energy: -100.425 tors. eta vs tors. theta energy: -187.028 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: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -2048.340086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.340086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.340086 (E_RNA) where: Base-Base interactions energy: -1388.340 where: short stacking energy: -599.496 Base-Backbone interact. energy: -2.896 local terms energy: -657.104532 where: bonds (distance) C4'-P energy: -117.549 bonds (distance) P-C4' energy: -139.328 flat angles C4'-P-C4' energy: -155.602 flat angles P-C4'-P energy: -95.931 tors. eta vs tors. theta energy: -148.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1639.471610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.471610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.471610 (E_RNA) where: Base-Base interactions energy: -1055.101 where: short stacking energy: -456.806 Base-Backbone interact. energy: 2.012 local terms energy: -586.382809 where: bonds (distance) C4'-P energy: -134.608 bonds (distance) P-C4' energy: -130.022 flat angles C4'-P-C4' energy: -152.866 flat angles P-C4'-P energy: -79.185 tors. eta vs tors. theta energy: -89.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1017.583385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.583385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.583385 (E_RNA) where: Base-Base interactions energy: -588.536 where: short stacking energy: -319.066 Base-Backbone interact. energy: -0.393 local terms energy: -428.654777 where: bonds (distance) C4'-P energy: -118.035 bonds (distance) P-C4' energy: -132.619 flat angles C4'-P-C4' energy: -103.467 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: -3.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3136.447605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.447605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.447605 (E_RNA) where: Base-Base interactions energy: -2207.394 where: short stacking energy: -917.625 Base-Backbone interact. energy: -1.851 local terms energy: -927.202189 where: bonds (distance) C4'-P energy: -171.609 bonds (distance) P-C4' energy: -171.027 flat angles C4'-P-C4' energy: -195.918 flat angles P-C4'-P energy: -123.580 tors. eta vs tors. theta energy: -265.069 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: 5 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -3027.293625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.293625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.293625 (E_RNA) where: Base-Base interactions energy: -2101.690 where: short stacking energy: -924.059 Base-Backbone interact. energy: -3.208 local terms energy: -922.395027 where: bonds (distance) C4'-P energy: -156.889 bonds (distance) P-C4' energy: -166.865 flat angles C4'-P-C4' energy: -190.671 flat angles P-C4'-P energy: -133.569 tors. eta vs tors. theta energy: -274.401 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: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2927.211841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.211841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.211841 (E_RNA) where: Base-Base interactions energy: -2003.079 where: short stacking energy: -856.723 Base-Backbone interact. energy: -1.568 local terms energy: -922.564616 where: bonds (distance) C4'-P energy: -168.056 bonds (distance) P-C4' energy: -170.590 flat angles C4'-P-C4' energy: -195.344 flat angles P-C4'-P energy: -128.471 tors. eta vs tors. theta energy: -260.103 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: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2757.831489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.831489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.831489 (E_RNA) where: Base-Base interactions energy: -1954.717 where: short stacking energy: -859.019 Base-Backbone interact. energy: -1.177 local terms energy: -801.937638 where: bonds (distance) C4'-P energy: -149.498 bonds (distance) P-C4' energy: -144.386 flat angles C4'-P-C4' energy: -163.442 flat angles P-C4'-P energy: -113.736 tors. eta vs tors. theta energy: -230.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2732.795893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.795893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.795893 (E_RNA) where: Base-Base interactions energy: -1919.813 where: short stacking energy: -837.053 Base-Backbone interact. energy: -2.674 local terms energy: -810.309080 where: bonds (distance) C4'-P energy: -131.274 bonds (distance) P-C4' energy: -151.508 flat angles C4'-P-C4' energy: -171.066 flat angles P-C4'-P energy: -119.416 tors. eta vs tors. theta energy: -237.045 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: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2631.761758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.761758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.761758 (E_RNA) where: Base-Base interactions energy: -1870.281 where: short stacking energy: -798.840 Base-Backbone interact. energy: 6.385 local terms energy: -767.866093 where: bonds (distance) C4'-P energy: -139.056 bonds (distance) P-C4' energy: -138.158 flat angles C4'-P-C4' energy: -164.985 flat angles P-C4'-P energy: -111.436 tors. eta vs tors. theta energy: -214.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2243.112095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.112095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.112095 (E_RNA) where: Base-Base interactions energy: -1536.387 where: short stacking energy: -685.103 Base-Backbone interact. energy: 0.234 local terms energy: -706.959412 where: bonds (distance) C4'-P energy: -126.475 bonds (distance) P-C4' energy: -153.042 flat angles C4'-P-C4' energy: -140.981 flat angles P-C4'-P energy: -108.611 tors. eta vs tors. theta energy: -177.850 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: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -2027.576665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.576665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.576665 (E_RNA) where: Base-Base interactions energy: -1334.373 where: short stacking energy: -619.655 Base-Backbone interact. energy: -2.337 local terms energy: -690.866903 where: bonds (distance) C4'-P energy: -130.795 bonds (distance) P-C4' energy: -146.203 flat angles C4'-P-C4' energy: -152.791 flat angles P-C4'-P energy: -108.730 tors. eta vs tors. theta energy: -152.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1656.743439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.743439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.743439 (E_RNA) where: Base-Base interactions energy: -1101.139 where: short stacking energy: -491.690 Base-Backbone interact. energy: 0.019 local terms energy: -555.623454 where: bonds (distance) C4'-P energy: -139.574 bonds (distance) P-C4' energy: -119.976 flat angles C4'-P-C4' energy: -127.814 flat angles P-C4'-P energy: -79.246 tors. eta vs tors. theta energy: -89.012 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: 9 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1045.332356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.332356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.332356 (E_RNA) where: Base-Base interactions energy: -561.733 where: short stacking energy: -305.135 Base-Backbone interact. energy: 7.516 local terms energy: -491.115120 where: bonds (distance) C4'-P energy: -128.658 bonds (distance) P-C4' energy: -143.274 flat angles C4'-P-C4' energy: -131.148 flat angles P-C4'-P energy: -80.660 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3116.279807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.279807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.279807 (E_RNA) where: Base-Base interactions energy: -2193.565 where: short stacking energy: -935.849 Base-Backbone interact. energy: -4.400 local terms energy: -918.315567 where: bonds (distance) C4'-P energy: -154.047 bonds (distance) P-C4' energy: -168.415 flat angles C4'-P-C4' energy: -187.059 flat angles P-C4'-P energy: -140.298 tors. eta vs tors. theta energy: -268.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -3004.576231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.576231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.576231 (E_RNA) where: Base-Base interactions energy: -2087.847 where: short stacking energy: -910.375 Base-Backbone interact. energy: -4.173 local terms energy: -912.556908 where: bonds (distance) C4'-P energy: -160.044 bonds (distance) P-C4' energy: -154.813 flat angles C4'-P-C4' energy: -189.411 flat angles P-C4'-P energy: -140.717 tors. eta vs tors. theta energy: -267.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2915.122664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.122664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.122664 (E_RNA) where: Base-Base interactions energy: -2060.753 where: short stacking energy: -872.269 Base-Backbone interact. energy: -1.939 local terms energy: -852.430649 where: bonds (distance) C4'-P energy: -144.876 bonds (distance) P-C4' energy: -166.296 flat angles C4'-P-C4' energy: -189.489 flat angles P-C4'-P energy: -112.112 tors. eta vs tors. theta energy: -239.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2786.558860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.558860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.558860 (E_RNA) where: Base-Base interactions energy: -1965.502 where: short stacking energy: -863.095 Base-Backbone interact. energy: 7.733 local terms energy: -828.789938 where: bonds (distance) C4'-P energy: -151.481 bonds (distance) P-C4' energy: -140.634 flat angles C4'-P-C4' energy: -186.678 flat angles P-C4'-P energy: -113.022 tors. eta vs tors. theta energy: -236.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2703.283014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.283014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.283014 (E_RNA) where: Base-Base interactions energy: -1893.372 where: short stacking energy: -832.511 Base-Backbone interact. energy: -4.678 local terms energy: -805.232677 where: bonds (distance) C4'-P energy: -147.088 bonds (distance) P-C4' energy: -138.848 flat angles C4'-P-C4' energy: -172.161 flat angles P-C4'-P energy: -117.219 tors. eta vs tors. theta energy: -229.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2621.297271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.297271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.297271 (E_RNA) where: Base-Base interactions energy: -1873.829 where: short stacking energy: -795.030 Base-Backbone interact. energy: -1.786 local terms energy: -745.682541 where: bonds (distance) C4'-P energy: -142.580 bonds (distance) P-C4' energy: -118.767 flat angles C4'-P-C4' energy: -160.706 flat angles P-C4'-P energy: -119.181 tors. eta vs tors. theta energy: -204.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2257.736188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.736188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.736188 (E_RNA) where: Base-Base interactions energy: -1497.355 where: short stacking energy: -674.355 Base-Backbone interact. energy: -4.077 local terms energy: -756.304503 where: bonds (distance) C4'-P energy: -138.173 bonds (distance) P-C4' energy: -150.161 flat angles C4'-P-C4' energy: -167.987 flat angles P-C4'-P energy: -100.807 tors. eta vs tors. theta energy: -199.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -2048.446513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.446513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.446513 (E_RNA) where: Base-Base interactions energy: -1375.872 where: short stacking energy: -605.410 Base-Backbone interact. energy: -2.485 local terms energy: -670.090159 where: bonds (distance) C4'-P energy: -141.567 bonds (distance) P-C4' energy: -141.007 flat angles C4'-P-C4' energy: -145.261 flat angles P-C4'-P energy: -98.965 tors. eta vs tors. theta energy: -143.290 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: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1593.159553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.159553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.159553 (E_RNA) where: Base-Base interactions energy: -1020.798 where: short stacking energy: -441.368 Base-Backbone interact. energy: -0.570 local terms energy: -571.792011 where: bonds (distance) C4'-P energy: -125.769 bonds (distance) P-C4' energy: -142.584 flat angles C4'-P-C4' energy: -145.379 flat angles P-C4'-P energy: -81.666 tors. eta vs tors. theta energy: -76.394 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: 9 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1048.384434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.384434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.384434 (E_RNA) where: Base-Base interactions energy: -554.059 where: short stacking energy: -293.303 Base-Backbone interact. energy: -0.839 local terms energy: -493.487323 where: bonds (distance) C4'-P energy: -133.006 bonds (distance) P-C4' energy: -135.482 flat angles C4'-P-C4' energy: -133.368 flat angles P-C4'-P energy: -94.109 tors. eta vs tors. theta energy: 2.478 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: 3 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3103.287203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.287203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.287203 (E_RNA) where: Base-Base interactions energy: -2212.837 where: short stacking energy: -924.767 Base-Backbone interact. energy: -5.594 local terms energy: -884.856507 where: bonds (distance) C4'-P energy: -143.570 bonds (distance) P-C4' energy: -164.960 flat angles C4'-P-C4' energy: -190.872 flat angles P-C4'-P energy: -121.073 tors. eta vs tors. theta energy: -264.382 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: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -3015.401147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.401147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.401147 (E_RNA) where: Base-Base interactions energy: -2114.543 where: short stacking energy: -907.169 Base-Backbone interact. energy: -4.549 local terms energy: -896.309482 where: bonds (distance) C4'-P energy: -150.402 bonds (distance) P-C4' energy: -161.235 flat angles C4'-P-C4' energy: -183.444 flat angles P-C4'-P energy: -124.331 tors. eta vs tors. theta energy: -276.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -2907.033171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.033171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.033171 (E_RNA) where: Base-Base interactions energy: -2056.338 where: short stacking energy: -866.808 Base-Backbone interact. energy: -4.115 local terms energy: -846.580090 where: bonds (distance) C4'-P energy: -164.001 bonds (distance) P-C4' energy: -138.920 flat angles C4'-P-C4' energy: -180.217 flat angles P-C4'-P energy: -118.182 tors. eta vs tors. theta energy: -245.261 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: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2769.645481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.645481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.645481 (E_RNA) where: Base-Base interactions energy: -1950.736 where: short stacking energy: -854.026 Base-Backbone interact. energy: -2.693 local terms energy: -816.216127 where: bonds (distance) C4'-P energy: -146.231 bonds (distance) P-C4' energy: -159.180 flat angles C4'-P-C4' energy: -169.874 flat angles P-C4'-P energy: -106.071 tors. eta vs tors. theta energy: -234.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2677.370986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.370986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.370986 (E_RNA) where: Base-Base interactions energy: -1869.539 where: short stacking energy: -813.970 Base-Backbone interact. energy: -0.138 local terms energy: -807.693835 where: bonds (distance) C4'-P energy: -146.352 bonds (distance) P-C4' energy: -142.214 flat angles C4'-P-C4' energy: -178.000 flat angles P-C4'-P energy: -102.989 tors. eta vs tors. theta energy: -238.139 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: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2574.617574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.617574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.617574 (E_RNA) where: Base-Base interactions energy: -1806.357 where: short stacking energy: -787.518 Base-Backbone interact. energy: -2.498 local terms energy: -765.762767 where: bonds (distance) C4'-P energy: -134.514 bonds (distance) P-C4' energy: -149.312 flat angles C4'-P-C4' energy: -166.580 flat angles P-C4'-P energy: -99.598 tors. eta vs tors. theta energy: -215.760 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: 457 Temperature: 1.200000 Total energy: -2256.102978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.102978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.102978 (E_RNA) where: Base-Base interactions energy: -1537.635 where: short stacking energy: -677.942 Base-Backbone interact. energy: -0.070 local terms energy: -718.397278 where: bonds (distance) C4'-P energy: -128.368 bonds (distance) P-C4' energy: -143.314 flat angles C4'-P-C4' energy: -156.172 flat angles P-C4'-P energy: -103.164 tors. eta vs tors. theta energy: -187.380 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: 457 Temperature: 1.250000 Total energy: -2044.180538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.180538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.180538 (E_RNA) where: Base-Base interactions energy: -1384.239 where: short stacking energy: -594.584 Base-Backbone interact. energy: 0.232 local terms energy: -660.173580 where: bonds (distance) C4'-P energy: -118.976 bonds (distance) P-C4' energy: -160.997 flat angles C4'-P-C4' energy: -146.305 flat angles P-C4'-P energy: -84.127 tors. eta vs tors. theta energy: -149.769 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: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1570.900253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.900253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.900253 (E_RNA) where: Base-Base interactions energy: -986.645 where: short stacking energy: -435.516 Base-Backbone interact. energy: -2.009 local terms energy: -582.246176 where: bonds (distance) C4'-P energy: -119.109 bonds (distance) P-C4' energy: -146.127 flat angles C4'-P-C4' energy: -146.808 flat angles P-C4'-P energy: -94.618 tors. eta vs tors. theta energy: -75.584 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: 9 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1062.028861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.028861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.028861 (E_RNA) where: Base-Base interactions energy: -585.929 where: short stacking energy: -309.197 Base-Backbone interact. energy: -0.553 local terms energy: -475.546807 where: bonds (distance) C4'-P energy: -121.598 bonds (distance) P-C4' energy: -141.490 flat angles C4'-P-C4' energy: -108.384 flat angles P-C4'-P energy: -77.912 tors. eta vs tors. theta energy: -26.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3113.829516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.829516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.829516 (E_RNA) where: Base-Base interactions energy: -2191.327 where: short stacking energy: -922.717 Base-Backbone interact. energy: -5.792 local terms energy: -916.711088 where: bonds (distance) C4'-P energy: -157.630 bonds (distance) P-C4' energy: -162.833 flat angles C4'-P-C4' energy: -200.821 flat angles P-C4'-P energy: -133.055 tors. eta vs tors. theta energy: -262.372 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: 2, replica: 5 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -3049.942518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.942518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.942518 (E_RNA) where: Base-Base interactions energy: -2146.654 where: short stacking energy: -929.881 Base-Backbone interact. energy: -0.439 local terms energy: -902.849365 where: bonds (distance) C4'-P energy: -145.479 bonds (distance) P-C4' energy: -156.138 flat angles C4'-P-C4' energy: -193.551 flat angles P-C4'-P energy: -133.516 tors. eta vs tors. theta energy: -274.165 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: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2939.448173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.448173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.448173 (E_RNA) where: Base-Base interactions energy: -2037.801 where: short stacking energy: -861.712 Base-Backbone interact. energy: -5.263 local terms energy: -896.384267 where: bonds (distance) C4'-P energy: -172.957 bonds (distance) P-C4' energy: -159.414 flat angles C4'-P-C4' energy: -196.685 flat angles P-C4'-P energy: -113.780 tors. eta vs tors. theta energy: -253.547 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: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2804.116529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.116529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.116529 (E_RNA) where: Base-Base interactions energy: -1964.316 where: short stacking energy: -842.981 Base-Backbone interact. energy: -4.807 local terms energy: -834.993048 where: bonds (distance) C4'-P energy: -149.308 bonds (distance) P-C4' energy: -161.676 flat angles C4'-P-C4' energy: -177.218 flat angles P-C4'-P energy: -119.869 tors. eta vs tors. theta energy: -226.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2677.951980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.951980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.951980 (E_RNA) where: Base-Base interactions energy: -1867.083 where: short stacking energy: -804.167 Base-Backbone interact. energy: -5.244 local terms energy: -805.624839 where: bonds (distance) C4'-P energy: -128.098 bonds (distance) P-C4' energy: -147.283 flat angles C4'-P-C4' energy: -185.426 flat angles P-C4'-P energy: -111.817 tors. eta vs tors. theta energy: -233.001 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: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2612.723123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.723123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.723123 (E_RNA) where: Base-Base interactions energy: -1872.101 where: short stacking energy: -764.615 Base-Backbone interact. energy: -1.955 local terms energy: -738.667179 where: bonds (distance) C4'-P energy: -125.639 bonds (distance) P-C4' energy: -121.242 flat angles C4'-P-C4' energy: -164.633 flat angles P-C4'-P energy: -113.393 tors. eta vs tors. theta energy: -213.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2318.926974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.926974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.926974 (E_RNA) where: Base-Base interactions energy: -1619.235 where: short stacking energy: -731.595 Base-Backbone interact. energy: 3.980 local terms energy: -703.671574 where: bonds (distance) C4'-P energy: -117.474 bonds (distance) P-C4' energy: -124.517 flat angles C4'-P-C4' energy: -169.145 flat angles P-C4'-P energy: -96.542 tors. eta vs tors. theta energy: -195.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -2037.295398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.295398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.295398 (E_RNA) where: Base-Base interactions energy: -1372.214 where: short stacking energy: -606.234 Base-Backbone interact. energy: -0.898 local terms energy: -664.183100 where: bonds (distance) C4'-P energy: -134.192 bonds (distance) P-C4' energy: -131.038 flat angles C4'-P-C4' energy: -174.850 flat angles P-C4'-P energy: -78.733 tors. eta vs tors. theta energy: -145.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1448.090669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.090669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.090669 (E_RNA) where: Base-Base interactions energy: -899.740 where: short stacking energy: -419.029 Base-Backbone interact. energy: -1.992 local terms energy: -546.358646 where: bonds (distance) C4'-P energy: -130.558 bonds (distance) P-C4' energy: -123.793 flat angles C4'-P-C4' energy: -142.904 flat angles P-C4'-P energy: -71.479 tors. eta vs tors. theta energy: -77.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1168.665214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.665214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.665214 (E_RNA) where: Base-Base interactions energy: -719.098 where: short stacking energy: -335.712 Base-Backbone interact. energy: -3.624 local terms energy: -445.943418 where: bonds (distance) C4'-P energy: -111.785 bonds (distance) P-C4' energy: -139.758 flat angles C4'-P-C4' energy: -122.579 flat angles P-C4'-P energy: -67.342 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3113.574443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.574443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.574443 (E_RNA) where: Base-Base interactions energy: -2214.867 where: short stacking energy: -929.293 Base-Backbone interact. energy: 1.064 local terms energy: -899.770762 where: bonds (distance) C4'-P energy: -156.858 bonds (distance) P-C4' energy: -163.496 flat angles C4'-P-C4' energy: -192.781 flat angles P-C4'-P energy: -123.604 tors. eta vs tors. theta energy: -263.033 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: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2967.860966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.860966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.860966 (E_RNA) where: Base-Base interactions energy: -2103.230 where: short stacking energy: -887.540 Base-Backbone interact. energy: 0.988 local terms energy: -865.619178 where: bonds (distance) C4'-P energy: -158.301 bonds (distance) P-C4' energy: -146.740 flat angles C4'-P-C4' energy: -187.206 flat angles P-C4'-P energy: -118.094 tors. eta vs tors. theta energy: -255.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2932.314819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.314819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.314819 (E_RNA) where: Base-Base interactions energy: -2042.918 where: short stacking energy: -909.327 Base-Backbone interact. energy: -4.220 local terms energy: -885.176419 where: bonds (distance) C4'-P energy: -149.893 bonds (distance) P-C4' energy: -153.086 flat angles C4'-P-C4' energy: -184.988 flat angles P-C4'-P energy: -131.434 tors. eta vs tors. theta energy: -265.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2776.627643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.627643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.627643 (E_RNA) where: Base-Base interactions energy: -1960.740 where: short stacking energy: -860.139 Base-Backbone interact. energy: -3.721 local terms energy: -812.167212 where: bonds (distance) C4'-P energy: -151.041 bonds (distance) P-C4' energy: -159.524 flat angles C4'-P-C4' energy: -167.098 flat angles P-C4'-P energy: -105.943 tors. eta vs tors. theta energy: -228.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2702.568757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.568757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.568757 (E_RNA) where: Base-Base interactions energy: -1878.667 where: short stacking energy: -798.158 Base-Backbone interact. energy: -1.775 local terms energy: -822.126712 where: bonds (distance) C4'-P energy: -142.932 bonds (distance) P-C4' energy: -156.599 flat angles C4'-P-C4' energy: -179.594 flat angles P-C4'-P energy: -116.170 tors. eta vs tors. theta energy: -226.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2624.202084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.202084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.202084 (E_RNA) where: Base-Base interactions energy: -1841.448 where: short stacking energy: -786.547 Base-Backbone interact. energy: -0.034 local terms energy: -782.719945 where: bonds (distance) C4'-P energy: -126.904 bonds (distance) P-C4' energy: -161.594 flat angles C4'-P-C4' energy: -169.261 flat angles P-C4'-P energy: -111.461 tors. eta vs tors. theta energy: -213.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2287.258890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.258890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.258890 (E_RNA) where: Base-Base interactions energy: -1596.935 where: short stacking energy: -667.198 Base-Backbone interact. energy: -1.828 local terms energy: -688.496692 where: bonds (distance) C4'-P energy: -121.384 bonds (distance) P-C4' energy: -130.855 flat angles C4'-P-C4' energy: -159.912 flat angles P-C4'-P energy: -87.456 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: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -2124.275606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.275606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.275606 (E_RNA) where: Base-Base interactions energy: -1448.032 where: short stacking energy: -653.027 Base-Backbone interact. energy: 1.946 local terms energy: -678.189534 where: bonds (distance) C4'-P energy: -129.614 bonds (distance) P-C4' energy: -149.940 flat angles C4'-P-C4' energy: -154.479 flat angles P-C4'-P energy: -85.571 tors. eta vs tors. theta energy: -158.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1481.034809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.034809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.034809 (E_RNA) where: Base-Base interactions energy: -911.853 where: short stacking energy: -433.971 Base-Backbone interact. energy: -2.162 local terms energy: -567.020303 where: bonds (distance) C4'-P energy: -144.774 bonds (distance) P-C4' energy: -138.426 flat angles C4'-P-C4' energy: -108.067 flat angles P-C4'-P energy: -85.896 tors. eta vs tors. theta energy: -89.858 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: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1152.027065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.027065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.027065 (E_RNA) where: Base-Base interactions energy: -704.384 where: short stacking energy: -337.431 Base-Backbone interact. energy: 1.144 local terms energy: -448.786743 where: bonds (distance) C4'-P energy: -106.819 bonds (distance) P-C4' energy: -126.272 flat angles C4'-P-C4' energy: -123.566 flat angles P-C4'-P energy: -73.255 tors. eta vs tors. theta energy: -18.875 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: 3 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3090.405734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.405734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.405734 (E_RNA) where: Base-Base interactions energy: -2144.026 where: short stacking energy: -904.876 Base-Backbone interact. energy: -11.247 local terms energy: -935.133532 where: bonds (distance) C4'-P energy: -164.185 bonds (distance) P-C4' energy: -172.004 flat angles C4'-P-C4' energy: -193.894 flat angles P-C4'-P energy: -129.622 tors. eta vs tors. theta energy: -275.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2987.334867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.334867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.334867 (E_RNA) where: Base-Base interactions energy: -2075.654 where: short stacking energy: -880.215 Base-Backbone interact. energy: -2.410 local terms energy: -909.270864 where: bonds (distance) C4'-P energy: -155.678 bonds (distance) P-C4' energy: -172.162 flat angles C4'-P-C4' energy: -197.541 flat angles P-C4'-P energy: -133.010 tors. eta vs tors. theta energy: -250.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -2955.370974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.370974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.370974 (E_RNA) where: Base-Base interactions energy: -2053.417 where: short stacking energy: -890.965 Base-Backbone interact. energy: -3.559 local terms energy: -898.394911 where: bonds (distance) C4'-P energy: -158.414 bonds (distance) P-C4' energy: -169.393 flat angles C4'-P-C4' energy: -188.397 flat angles P-C4'-P energy: -126.282 tors. eta vs tors. theta energy: -255.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2817.699643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.699643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.699643 (E_RNA) where: Base-Base interactions energy: -1983.804 where: short stacking energy: -837.321 Base-Backbone interact. energy: -2.320 local terms energy: -831.575161 where: bonds (distance) C4'-P energy: -130.728 bonds (distance) P-C4' energy: -160.062 flat angles C4'-P-C4' energy: -193.957 flat angles P-C4'-P energy: -110.767 tors. eta vs tors. theta energy: -236.062 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: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2745.625351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.625351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.625351 (E_RNA) where: Base-Base interactions energy: -1935.293 where: short stacking energy: -827.021 Base-Backbone interact. energy: -5.373 local terms energy: -804.960103 where: bonds (distance) C4'-P energy: -140.432 bonds (distance) P-C4' energy: -149.043 flat angles C4'-P-C4' energy: -169.062 flat angles P-C4'-P energy: -105.326 tors. eta vs tors. theta energy: -241.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2586.111012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.111012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.111012 (E_RNA) where: Base-Base interactions energy: -1806.933 where: short stacking energy: -777.029 Base-Backbone interact. energy: -2.405 local terms energy: -776.772880 where: bonds (distance) C4'-P energy: -138.857 bonds (distance) P-C4' energy: -148.246 flat angles C4'-P-C4' energy: -163.555 flat angles P-C4'-P energy: -101.802 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: 7, replica: 2 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2302.036606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.036606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.036606 (E_RNA) where: Base-Base interactions energy: -1553.804 where: short stacking energy: -642.364 Base-Backbone interact. energy: -0.865 local terms energy: -747.367039 where: bonds (distance) C4'-P energy: -152.713 bonds (distance) P-C4' energy: -140.367 flat angles C4'-P-C4' energy: -162.639 flat angles P-C4'-P energy: -115.369 tors. eta vs tors. theta energy: -176.279 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: 1 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -2105.296205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.296205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.296205 (E_RNA) where: Base-Base interactions energy: -1409.223 where: short stacking energy: -631.787 Base-Backbone interact. energy: -2.509 local terms energy: -693.564025 where: bonds (distance) C4'-P energy: -149.160 bonds (distance) P-C4' energy: -148.043 flat angles C4'-P-C4' energy: -145.537 flat angles P-C4'-P energy: -94.619 tors. eta vs tors. theta energy: -156.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1479.988186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.988186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.988186 (E_RNA) where: Base-Base interactions energy: -941.106 where: short stacking energy: -463.060 Base-Backbone interact. energy: -2.180 local terms energy: -536.702621 where: bonds (distance) C4'-P energy: -123.031 bonds (distance) P-C4' energy: -123.605 flat angles C4'-P-C4' energy: -146.263 flat angles P-C4'-P energy: -61.869 tors. eta vs tors. theta energy: -81.934 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: 9 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1193.895617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.895617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.895617 (E_RNA) where: Base-Base interactions energy: -725.577 where: short stacking energy: -349.060 Base-Backbone interact. energy: -3.769 local terms energy: -464.549844 where: bonds (distance) C4'-P energy: -122.662 bonds (distance) P-C4' energy: -123.390 flat angles C4'-P-C4' energy: -118.275 flat angles P-C4'-P energy: -64.306 tors. eta vs tors. theta energy: -35.917 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: 3 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3141.160026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.160026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.160026 (E_RNA) where: Base-Base interactions energy: -2216.466 where: short stacking energy: -930.198 Base-Backbone interact. energy: -2.816 local terms energy: -921.878264 where: bonds (distance) C4'-P energy: -160.198 bonds (distance) P-C4' energy: -172.393 flat angles C4'-P-C4' energy: -194.362 flat angles P-C4'-P energy: -116.930 tors. eta vs tors. theta energy: -277.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -2993.482728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.482728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.482728 (E_RNA) where: Base-Base interactions energy: -2089.268 where: short stacking energy: -896.236 Base-Backbone interact. energy: -5.623 local terms energy: -898.591409 where: bonds (distance) C4'-P energy: -140.460 bonds (distance) P-C4' energy: -157.192 flat angles C4'-P-C4' energy: -195.403 flat angles P-C4'-P energy: -127.852 tors. eta vs tors. theta energy: -277.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2917.003875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.003875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.003875 (E_RNA) where: Base-Base interactions energy: -2037.332 where: short stacking energy: -861.610 Base-Backbone interact. energy: -0.888 local terms energy: -878.783828 where: bonds (distance) C4'-P energy: -144.532 bonds (distance) P-C4' energy: -175.558 flat angles C4'-P-C4' energy: -185.862 flat angles P-C4'-P energy: -113.646 tors. eta vs tors. theta energy: -259.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2810.924812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.924812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.924812 (E_RNA) where: Base-Base interactions energy: -1953.975 where: short stacking energy: -840.652 Base-Backbone interact. energy: -1.516 local terms energy: -855.433954 where: bonds (distance) C4'-P energy: -149.782 bonds (distance) P-C4' energy: -156.072 flat angles C4'-P-C4' energy: -181.939 flat angles P-C4'-P energy: -123.496 tors. eta vs tors. theta energy: -244.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2736.815873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.815873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.815873 (E_RNA) where: Base-Base interactions energy: -1917.559 where: short stacking energy: -831.646 Base-Backbone interact. energy: -0.899 local terms energy: -818.358620 where: bonds (distance) C4'-P energy: -148.134 bonds (distance) P-C4' energy: -134.725 flat angles C4'-P-C4' energy: -184.996 flat angles P-C4'-P energy: -111.512 tors. eta vs tors. theta energy: -238.991 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: 6, replica: 7 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2612.422920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.422920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.422920 (E_RNA) where: Base-Base interactions energy: -1811.994 where: short stacking energy: -760.517 Base-Backbone interact. energy: -0.242 local terms energy: -800.187537 where: bonds (distance) C4'-P energy: -127.199 bonds (distance) P-C4' energy: -163.045 flat angles C4'-P-C4' energy: -165.941 flat angles P-C4'-P energy: -122.267 tors. eta vs tors. theta energy: -221.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2307.816462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.816462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.816462 (E_RNA) where: Base-Base interactions energy: -1583.941 where: short stacking energy: -677.415 Base-Backbone interact. energy: -1.886 local terms energy: -721.989980 where: bonds (distance) C4'-P energy: -124.643 bonds (distance) P-C4' energy: -143.211 flat angles C4'-P-C4' energy: -167.988 flat angles P-C4'-P energy: -100.045 tors. eta vs tors. theta energy: -186.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -2105.764693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.764693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.764693 (E_RNA) where: Base-Base interactions energy: -1429.028 where: short stacking energy: -630.781 Base-Backbone interact. energy: -1.952 local terms energy: -674.784657 where: bonds (distance) C4'-P energy: -144.394 bonds (distance) P-C4' energy: -150.060 flat angles C4'-P-C4' energy: -130.470 flat angles P-C4'-P energy: -97.701 tors. eta vs tors. theta energy: -152.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1466.391629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.391629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.391629 (E_RNA) where: Base-Base interactions energy: -920.559 where: short stacking energy: -426.855 Base-Backbone interact. energy: 2.820 local terms energy: -548.652504 where: bonds (distance) C4'-P energy: -131.873 bonds (distance) P-C4' energy: -132.666 flat angles C4'-P-C4' energy: -132.824 flat angles P-C4'-P energy: -83.590 tors. eta vs tors. theta energy: -67.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1111.218517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.218517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.218517 (E_RNA) where: Base-Base interactions energy: -621.626 where: short stacking energy: -315.738 Base-Backbone interact. energy: 0.357 local terms energy: -489.949600 where: bonds (distance) C4'-P energy: -141.081 bonds (distance) P-C4' energy: -135.001 flat angles C4'-P-C4' energy: -113.423 flat angles P-C4'-P energy: -67.852 tors. eta vs tors. theta energy: -32.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3124.672212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.672212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.672212 (E_RNA) where: Base-Base interactions energy: -2201.827 where: short stacking energy: -926.193 Base-Backbone interact. energy: -0.135 local terms energy: -922.709673 where: bonds (distance) C4'-P energy: -168.342 bonds (distance) P-C4' energy: -174.751 flat angles C4'-P-C4' energy: -185.195 flat angles P-C4'-P energy: -120.126 tors. eta vs tors. theta energy: -274.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -2978.259986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.259986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.259986 (E_RNA) where: Base-Base interactions energy: -2074.193 where: short stacking energy: -902.910 Base-Backbone interact. energy: -5.228 local terms energy: -898.838529 where: bonds (distance) C4'-P energy: -150.021 bonds (distance) P-C4' energy: -164.380 flat angles C4'-P-C4' energy: -197.222 flat angles P-C4'-P energy: -128.553 tors. eta vs tors. theta energy: -258.663 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: 3, replica: 4 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2956.272403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.272403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.272403 (E_RNA) where: Base-Base interactions energy: -2045.750 where: short stacking energy: -877.544 Base-Backbone interact. energy: -0.843 local terms energy: -909.679494 where: bonds (distance) C4'-P energy: -168.026 bonds (distance) P-C4' energy: -149.299 flat angles C4'-P-C4' energy: -188.965 flat angles P-C4'-P energy: -127.109 tors. eta vs tors. theta energy: -276.281 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: 4, replica: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2787.604761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.604761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.604761 (E_RNA) where: Base-Base interactions energy: -1936.145 where: short stacking energy: -822.487 Base-Backbone interact. energy: -1.350 local terms energy: -850.109115 where: bonds (distance) C4'-P energy: -146.096 bonds (distance) P-C4' energy: -171.130 flat angles C4'-P-C4' energy: -180.980 flat angles P-C4'-P energy: -115.449 tors. eta vs tors. theta energy: -236.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2708.670533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.670533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.670533 (E_RNA) where: Base-Base interactions energy: -1910.462 where: short stacking energy: -820.415 Base-Backbone interact. energy: 0.202 local terms energy: -798.410303 where: bonds (distance) C4'-P energy: -134.831 bonds (distance) P-C4' energy: -146.749 flat angles C4'-P-C4' energy: -180.420 flat angles P-C4'-P energy: -110.573 tors. eta vs tors. theta energy: -225.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2571.609919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.609919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.609919 (E_RNA) where: Base-Base interactions energy: -1826.835 where: short stacking energy: -787.371 Base-Backbone interact. energy: 2.034 local terms energy: -746.808315 where: bonds (distance) C4'-P energy: -116.294 bonds (distance) P-C4' energy: -127.246 flat angles C4'-P-C4' energy: -164.806 flat angles P-C4'-P energy: -123.805 tors. eta vs tors. theta energy: -214.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2346.067788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.067788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.067788 (E_RNA) where: Base-Base interactions energy: -1658.311 where: short stacking energy: -712.719 Base-Backbone interact. energy: -2.827 local terms energy: -684.929561 where: bonds (distance) C4'-P energy: -106.727 bonds (distance) P-C4' energy: -123.798 flat angles C4'-P-C4' energy: -155.761 flat angles P-C4'-P energy: -103.562 tors. eta vs tors. theta energy: -195.082 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: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -2179.468765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.468765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.468765 (E_RNA) where: Base-Base interactions energy: -1523.663 where: short stacking energy: -651.470 Base-Backbone interact. energy: 2.229 local terms energy: -658.034006 where: bonds (distance) C4'-P energy: -121.032 bonds (distance) P-C4' energy: -137.604 flat angles C4'-P-C4' energy: -147.392 flat angles P-C4'-P energy: -79.311 tors. eta vs tors. theta energy: -172.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1462.364060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.364060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.364060 (E_RNA) where: Base-Base interactions energy: -915.338 where: short stacking energy: -421.851 Base-Backbone interact. energy: -2.434 local terms energy: -544.592734 where: bonds (distance) C4'-P energy: -130.435 bonds (distance) P-C4' energy: -133.459 flat angles C4'-P-C4' energy: -136.277 flat angles P-C4'-P energy: -83.381 tors. eta vs tors. theta energy: -61.041 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: 10, replica: 9 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1046.990006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.990006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.990006 (E_RNA) where: Base-Base interactions energy: -605.899 where: short stacking energy: -330.669 Base-Backbone interact. energy: 0.772 local terms energy: -441.863314 where: bonds (distance) C4'-P energy: -122.628 bonds (distance) P-C4' energy: -126.405 flat angles C4'-P-C4' energy: -120.022 flat angles P-C4'-P energy: -55.229 tors. eta vs tors. theta energy: -17.579 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: 3 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3128.900607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.900607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.900607 (E_RNA) where: Base-Base interactions energy: -2223.960 where: short stacking energy: -929.055 Base-Backbone interact. energy: -6.233 local terms energy: -898.708532 where: bonds (distance) C4'-P energy: -159.796 bonds (distance) P-C4' energy: -159.712 flat angles C4'-P-C4' energy: -186.823 flat angles P-C4'-P energy: -117.793 tors. eta vs tors. theta energy: -274.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2987.112462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.112462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.112462 (E_RNA) where: Base-Base interactions energy: -2076.031 where: short stacking energy: -903.454 Base-Backbone interact. energy: -1.555 local terms energy: -909.526424 where: bonds (distance) C4'-P energy: -173.997 bonds (distance) P-C4' energy: -156.582 flat angles C4'-P-C4' energy: -190.562 flat angles P-C4'-P energy: -121.120 tors. eta vs tors. theta energy: -267.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2939.777454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.777454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.777454 (E_RNA) where: Base-Base interactions energy: -2060.621 where: short stacking energy: -876.974 Base-Backbone interact. energy: -0.972 local terms energy: -878.185131 where: bonds (distance) C4'-P energy: -142.316 bonds (distance) P-C4' energy: -160.587 flat angles C4'-P-C4' energy: -186.932 flat angles P-C4'-P energy: -128.588 tors. eta vs tors. theta energy: -259.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2780.360313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.360313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.360313 (E_RNA) where: Base-Base interactions energy: -1954.862 where: short stacking energy: -857.160 Base-Backbone interact. energy: -1.852 local terms energy: -823.646152 where: bonds (distance) C4'-P energy: -151.841 bonds (distance) P-C4' energy: -149.353 flat angles C4'-P-C4' energy: -174.852 flat angles P-C4'-P energy: -108.806 tors. eta vs tors. theta energy: -238.794 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: 6 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2753.309709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.309709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.309709 (E_RNA) where: Base-Base interactions energy: -1927.173 where: short stacking energy: -805.042 Base-Backbone interact. energy: -1.254 local terms energy: -824.882406 where: bonds (distance) C4'-P energy: -144.850 bonds (distance) P-C4' energy: -163.955 flat angles C4'-P-C4' energy: -165.261 flat angles P-C4'-P energy: -120.136 tors. eta vs tors. theta energy: -230.681 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: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2572.021427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.021427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.021427 (E_RNA) where: Base-Base interactions energy: -1807.196 where: short stacking energy: -751.442 Base-Backbone interact. energy: -5.384 local terms energy: -759.441055 where: bonds (distance) C4'-P energy: -122.460 bonds (distance) P-C4' energy: -147.366 flat angles C4'-P-C4' energy: -165.482 flat angles P-C4'-P energy: -117.598 tors. eta vs tors. theta energy: -206.535 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: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2358.464356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.464356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.464356 (E_RNA) where: Base-Base interactions energy: -1652.299 where: short stacking energy: -734.268 Base-Backbone interact. energy: -2.093 local terms energy: -704.072634 where: bonds (distance) C4'-P energy: -132.069 bonds (distance) P-C4' energy: -153.494 flat angles C4'-P-C4' energy: -133.546 flat angles P-C4'-P energy: -93.653 tors. eta vs tors. theta energy: -191.311 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: 8, replica: 1 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -2098.287951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.287951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.287951 (E_RNA) where: Base-Base interactions energy: -1472.180 where: short stacking energy: -691.129 Base-Backbone interact. energy: 8.223 local terms energy: -634.331350 where: bonds (distance) C4'-P energy: -112.571 bonds (distance) P-C4' energy: -113.592 flat angles C4'-P-C4' energy: -134.959 flat angles P-C4'-P energy: -99.386 tors. eta vs tors. theta energy: -173.823 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: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1448.694091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.694091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.694091 (E_RNA) where: Base-Base interactions energy: -899.273 where: short stacking energy: -440.397 Base-Backbone interact. energy: 2.399 local terms energy: -551.820184 where: bonds (distance) C4'-P energy: -138.044 bonds (distance) P-C4' energy: -145.431 flat angles C4'-P-C4' energy: -129.952 flat angles P-C4'-P energy: -80.736 tors. eta vs tors. theta energy: -57.658 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: 9 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1036.061062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.061062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.061062 (E_RNA) where: Base-Base interactions energy: -589.238 where: short stacking energy: -319.441 Base-Backbone interact. energy: 3.635 local terms energy: -450.457780 where: bonds (distance) C4'-P energy: -134.116 bonds (distance) P-C4' energy: -129.616 flat angles C4'-P-C4' energy: -106.539 flat angles P-C4'-P energy: -71.399 tors. eta vs tors. theta energy: -8.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3123.241908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.241908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.241908 (E_RNA) where: Base-Base interactions energy: -2225.820 where: short stacking energy: -923.182 Base-Backbone interact. energy: -1.443 local terms energy: -895.979315 where: bonds (distance) C4'-P energy: -152.350 bonds (distance) P-C4' energy: -169.094 flat angles C4'-P-C4' energy: -194.650 flat angles P-C4'-P energy: -100.677 tors. eta vs tors. theta energy: -279.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -3021.934827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.934827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.934827 (E_RNA) where: Base-Base interactions energy: -2108.682 where: short stacking energy: -953.798 Base-Backbone interact. energy: -3.444 local terms energy: -909.809397 where: bonds (distance) C4'-P energy: -139.935 bonds (distance) P-C4' energy: -165.339 flat angles C4'-P-C4' energy: -191.819 flat angles P-C4'-P energy: -127.969 tors. eta vs tors. theta energy: -284.748 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: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2950.841760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.841760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.841760 (E_RNA) where: Base-Base interactions energy: -2084.510 where: short stacking energy: -870.961 Base-Backbone interact. energy: -2.866 local terms energy: -863.466024 where: bonds (distance) C4'-P energy: -152.554 bonds (distance) P-C4' energy: -149.866 flat angles C4'-P-C4' energy: -175.126 flat angles P-C4'-P energy: -120.218 tors. eta vs tors. theta energy: -265.702 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: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2825.064079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.064079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.064079 (E_RNA) where: Base-Base interactions energy: -2004.975 where: short stacking energy: -865.129 Base-Backbone interact. energy: -0.073 local terms energy: -820.016464 where: bonds (distance) C4'-P energy: -133.904 bonds (distance) P-C4' energy: -152.070 flat angles C4'-P-C4' energy: -172.962 flat angles P-C4'-P energy: -112.827 tors. eta vs tors. theta energy: -248.253 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: 6 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2722.266078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.266078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.266078 (E_RNA) where: Base-Base interactions energy: -1911.775 where: short stacking energy: -813.018 Base-Backbone interact. energy: -1.935 local terms energy: -808.556490 where: bonds (distance) C4'-P energy: -140.330 bonds (distance) P-C4' energy: -162.802 flat angles C4'-P-C4' energy: -174.076 flat angles P-C4'-P energy: -107.684 tors. eta vs tors. theta energy: -223.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2557.262085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.262085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.262085 (E_RNA) where: Base-Base interactions energy: -1792.220 where: short stacking energy: -748.689 Base-Backbone interact. energy: -1.204 local terms energy: -763.838749 where: bonds (distance) C4'-P energy: -143.533 bonds (distance) P-C4' energy: -154.627 flat angles C4'-P-C4' energy: -160.190 flat angles P-C4'-P energy: -102.944 tors. eta vs tors. theta energy: -202.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2308.616480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.616480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.616480 (E_RNA) where: Base-Base interactions energy: -1599.582 where: short stacking energy: -703.991 Base-Backbone interact. energy: 1.979 local terms energy: -711.013930 where: bonds (distance) C4'-P energy: -127.043 bonds (distance) P-C4' energy: -149.247 flat angles C4'-P-C4' energy: -161.781 flat angles P-C4'-P energy: -78.367 tors. eta vs tors. theta energy: -194.577 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: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -2121.408334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.408334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.408334 (E_RNA) where: Base-Base interactions energy: -1443.131 where: short stacking energy: -632.362 Base-Backbone interact. energy: -1.235 local terms energy: -677.042230 where: bonds (distance) C4'-P energy: -130.974 bonds (distance) P-C4' energy: -122.898 flat angles C4'-P-C4' energy: -160.119 flat angles P-C4'-P energy: -98.008 tors. eta vs tors. theta energy: -165.044 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: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1594.992609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.992609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.992609 (E_RNA) where: Base-Base interactions energy: -1073.942 where: short stacking energy: -516.265 Base-Backbone interact. energy: -1.255 local terms energy: -519.795260 where: bonds (distance) C4'-P energy: -110.936 bonds (distance) P-C4' energy: -132.893 flat angles C4'-P-C4' energy: -123.888 flat angles P-C4'-P energy: -75.789 tors. eta vs tors. theta energy: -76.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1032.309536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.309536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.309536 (E_RNA) where: Base-Base interactions energy: -571.866 where: short stacking energy: -295.896 Base-Backbone interact. energy: -0.060 local terms energy: -460.383189 where: bonds (distance) C4'-P energy: -148.259 bonds (distance) P-C4' energy: -102.147 flat angles C4'-P-C4' energy: -132.710 flat angles P-C4'-P energy: -63.909 tors. eta vs tors. theta energy: -13.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3130.967344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.967344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.967344 (E_RNA) where: Base-Base interactions energy: -2211.410 where: short stacking energy: -923.196 Base-Backbone interact. energy: -1.239 local terms energy: -918.318249 where: bonds (distance) C4'-P energy: -150.463 bonds (distance) P-C4' energy: -171.510 flat angles C4'-P-C4' energy: -187.296 flat angles P-C4'-P energy: -130.328 tors. eta vs tors. theta energy: -278.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2994.165242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.165242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.165242 (E_RNA) where: Base-Base interactions energy: -2100.331 where: short stacking energy: -904.601 Base-Backbone interact. energy: -3.036 local terms energy: -890.797915 where: bonds (distance) C4'-P energy: -145.901 bonds (distance) P-C4' energy: -160.144 flat angles C4'-P-C4' energy: -182.261 flat angles P-C4'-P energy: -121.253 tors. eta vs tors. theta energy: -281.240 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: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2918.311632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.311632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.311632 (E_RNA) where: Base-Base interactions energy: -2052.048 where: short stacking energy: -861.693 Base-Backbone interact. energy: -4.296 local terms energy: -861.968428 where: bonds (distance) C4'-P energy: -153.015 bonds (distance) P-C4' energy: -160.648 flat angles C4'-P-C4' energy: -183.860 flat angles P-C4'-P energy: -104.575 tors. eta vs tors. theta energy: -259.872 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: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2802.391328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.391328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.391328 (E_RNA) where: Base-Base interactions energy: -1963.312 where: short stacking energy: -838.636 Base-Backbone interact. energy: -3.269 local terms energy: -835.809964 where: bonds (distance) C4'-P energy: -138.195 bonds (distance) P-C4' energy: -148.283 flat angles C4'-P-C4' energy: -182.813 flat angles P-C4'-P energy: -122.213 tors. eta vs tors. theta energy: -244.306 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: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2691.433876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.433876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.433876 (E_RNA) where: Base-Base interactions energy: -1905.718 where: short stacking energy: -811.089 Base-Backbone interact. energy: -1.138 local terms energy: -784.577702 where: bonds (distance) C4'-P energy: -132.436 bonds (distance) P-C4' energy: -141.936 flat angles C4'-P-C4' energy: -176.672 flat angles P-C4'-P energy: -101.607 tors. eta vs tors. theta energy: -231.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2536.509290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.509290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.509290 (E_RNA) where: Base-Base interactions energy: -1752.045 where: short stacking energy: -724.571 Base-Backbone interact. energy: -3.136 local terms energy: -781.327906 where: bonds (distance) C4'-P energy: -146.961 bonds (distance) P-C4' energy: -146.509 flat angles C4'-P-C4' energy: -179.427 flat angles P-C4'-P energy: -114.973 tors. eta vs tors. theta energy: -193.457 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: 2 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2325.574405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.574405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.574405 (E_RNA) where: Base-Base interactions energy: -1581.577 where: short stacking energy: -685.989 Base-Backbone interact. energy: -1.201 local terms energy: -742.796721 where: bonds (distance) C4'-P energy: -142.660 bonds (distance) P-C4' energy: -156.815 flat angles C4'-P-C4' energy: -162.266 flat angles P-C4'-P energy: -94.654 tors. eta vs tors. theta energy: -186.401 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: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -2098.214961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.214961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.214961 (E_RNA) where: Base-Base interactions energy: -1406.007 where: short stacking energy: -634.036 Base-Backbone interact. energy: -1.429 local terms energy: -690.778887 where: bonds (distance) C4'-P energy: -136.543 bonds (distance) P-C4' energy: -136.836 flat angles C4'-P-C4' energy: -149.937 flat angles P-C4'-P energy: -101.955 tors. eta vs tors. theta energy: -165.508 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: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1597.110883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.110883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.110883 (E_RNA) where: Base-Base interactions energy: -1044.105 where: short stacking energy: -462.719 Base-Backbone interact. energy: -2.823 local terms energy: -550.183227 where: bonds (distance) C4'-P energy: -130.167 bonds (distance) P-C4' energy: -142.882 flat angles C4'-P-C4' energy: -111.988 flat angles P-C4'-P energy: -79.958 tors. eta vs tors. theta energy: -85.187 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: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1102.687929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.687929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.687929 (E_RNA) where: Base-Base interactions energy: -605.155 where: short stacking energy: -313.325 Base-Backbone interact. energy: 1.834 local terms energy: -499.367633 where: bonds (distance) C4'-P energy: -131.030 bonds (distance) P-C4' energy: -147.454 flat angles C4'-P-C4' energy: -117.891 flat angles P-C4'-P energy: -73.737 tors. eta vs tors. theta energy: -29.256 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: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3125.195298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.195298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.195298 (E_RNA) where: Base-Base interactions energy: -2204.365 where: short stacking energy: -950.318 Base-Backbone interact. energy: -4.887 local terms energy: -915.942850 where: bonds (distance) C4'-P energy: -157.062 bonds (distance) P-C4' energy: -168.782 flat angles C4'-P-C4' energy: -182.261 flat angles P-C4'-P energy: -140.968 tors. eta vs tors. theta energy: -266.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -3005.701401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.701401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.701401 (E_RNA) where: Base-Base interactions energy: -2123.173 where: short stacking energy: -891.903 Base-Backbone interact. energy: -4.885 local terms energy: -877.643332 where: bonds (distance) C4'-P energy: -141.431 bonds (distance) P-C4' energy: -153.251 flat angles C4'-P-C4' energy: -184.342 flat angles P-C4'-P energy: -134.281 tors. eta vs tors. theta energy: -264.339 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: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2932.486751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.486751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.486751 (E_RNA) where: Base-Base interactions energy: -2061.283 where: short stacking energy: -881.490 Base-Backbone interact. energy: -1.938 local terms energy: -869.265951 where: bonds (distance) C4'-P energy: -143.082 bonds (distance) P-C4' energy: -168.283 flat angles C4'-P-C4' energy: -187.081 flat angles P-C4'-P energy: -116.057 tors. eta vs tors. theta energy: -254.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2816.127815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.127815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.127815 (E_RNA) where: Base-Base interactions energy: -1985.862 where: short stacking energy: -852.222 Base-Backbone interact. energy: -3.990 local terms energy: -826.276621 where: bonds (distance) C4'-P energy: -135.061 bonds (distance) P-C4' energy: -143.617 flat angles C4'-P-C4' energy: -190.734 flat angles P-C4'-P energy: -115.682 tors. eta vs tors. theta energy: -241.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2647.524628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.524628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.524628 (E_RNA) where: Base-Base interactions energy: -1853.703 where: short stacking energy: -815.801 Base-Backbone interact. energy: -4.825 local terms energy: -788.997122 where: bonds (distance) C4'-P energy: -156.120 bonds (distance) P-C4' energy: -148.614 flat angles C4'-P-C4' energy: -153.645 flat angles P-C4'-P energy: -104.346 tors. eta vs tors. theta energy: -226.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2583.893943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.893943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.893943 (E_RNA) where: Base-Base interactions energy: -1798.843 where: short stacking energy: -765.878 Base-Backbone interact. energy: 0.844 local terms energy: -785.894991 where: bonds (distance) C4'-P energy: -148.072 bonds (distance) P-C4' energy: -159.988 flat angles C4'-P-C4' energy: -161.232 flat angles P-C4'-P energy: -113.391 tors. eta vs tors. theta energy: -203.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2293.472514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.472514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.472514 (E_RNA) where: Base-Base interactions energy: -1604.406 where: short stacking energy: -707.531 Base-Backbone interact. energy: -0.715 local terms energy: -688.351803 where: bonds (distance) C4'-P energy: -126.672 bonds (distance) P-C4' energy: -128.171 flat angles C4'-P-C4' energy: -159.812 flat angles P-C4'-P energy: -86.882 tors. eta vs tors. theta energy: -186.816 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: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -2045.113004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.113004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.113004 (E_RNA) where: Base-Base interactions energy: -1424.332 where: short stacking energy: -651.729 Base-Backbone interact. energy: -2.187 local terms energy: -618.593547 where: bonds (distance) C4'-P energy: -108.555 bonds (distance) P-C4' energy: -146.270 flat angles C4'-P-C4' energy: -116.654 flat angles P-C4'-P energy: -88.774 tors. eta vs tors. theta energy: -158.340 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: 10 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1559.858724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.858724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.858724 (E_RNA) where: Base-Base interactions energy: -993.681 where: short stacking energy: -448.842 Base-Backbone interact. energy: -0.766 local terms energy: -565.411904 where: bonds (distance) C4'-P energy: -144.365 bonds (distance) P-C4' energy: -131.380 flat angles C4'-P-C4' energy: -125.653 flat angles P-C4'-P energy: -87.606 tors. eta vs tors. theta energy: -76.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1127.156406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.156406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.156406 (E_RNA) where: Base-Base interactions energy: -648.296 where: short stacking energy: -345.036 Base-Backbone interact. energy: -2.025 local terms energy: -476.835179 where: bonds (distance) C4'-P energy: -139.593 bonds (distance) P-C4' energy: -136.637 flat angles C4'-P-C4' energy: -95.333 flat angles P-C4'-P energy: -61.065 tors. eta vs tors. theta energy: -44.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3130.359274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.359274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.359274 (E_RNA) where: Base-Base interactions energy: -2211.655 where: short stacking energy: -915.322 Base-Backbone interact. energy: -0.715 local terms energy: -917.988473 where: bonds (distance) C4'-P energy: -169.093 bonds (distance) P-C4' energy: -177.637 flat angles C4'-P-C4' energy: -187.384 flat angles P-C4'-P energy: -120.987 tors. eta vs tors. theta energy: -262.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -3030.520739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.520739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.520739 (E_RNA) where: Base-Base interactions energy: -2123.827 where: short stacking energy: -920.244 Base-Backbone interact. energy: -4.050 local terms energy: -902.644123 where: bonds (distance) C4'-P energy: -157.136 bonds (distance) P-C4' energy: -147.154 flat angles C4'-P-C4' energy: -199.268 flat angles P-C4'-P energy: -134.100 tors. eta vs tors. theta energy: -264.985 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: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2930.656717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.656717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.656717 (E_RNA) where: Base-Base interactions energy: -2052.128 where: short stacking energy: -909.817 Base-Backbone interact. energy: -2.096 local terms energy: -876.433005 where: bonds (distance) C4'-P energy: -148.372 bonds (distance) P-C4' energy: -156.961 flat angles C4'-P-C4' energy: -188.133 flat angles P-C4'-P energy: -126.916 tors. eta vs tors. theta energy: -256.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2785.543273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.543273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.543273 (E_RNA) where: Base-Base interactions energy: -1960.350 where: short stacking energy: -834.056 Base-Backbone interact. energy: -1.851 local terms energy: -823.342969 where: bonds (distance) C4'-P energy: -149.486 bonds (distance) P-C4' energy: -151.318 flat angles C4'-P-C4' energy: -169.493 flat angles P-C4'-P energy: -114.829 tors. eta vs tors. theta energy: -238.217 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: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2695.624559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.624559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.624559 (E_RNA) where: Base-Base interactions energy: -1889.418 where: short stacking energy: -810.014 Base-Backbone interact. energy: -0.531 local terms energy: -805.675785 where: bonds (distance) C4'-P energy: -149.462 bonds (distance) P-C4' energy: -134.623 flat angles C4'-P-C4' energy: -182.431 flat angles P-C4'-P energy: -115.412 tors. eta vs tors. theta energy: -223.747 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: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2524.090964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.090964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.090964 (E_RNA) where: Base-Base interactions energy: -1791.872 where: short stacking energy: -765.696 Base-Backbone interact. energy: 2.453 local terms energy: -734.671707 where: bonds (distance) C4'-P energy: -137.414 bonds (distance) P-C4' energy: -148.079 flat angles C4'-P-C4' energy: -170.782 flat angles P-C4'-P energy: -81.550 tors. eta vs tors. theta energy: -196.848 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: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2299.374685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.374685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.374685 (E_RNA) where: Base-Base interactions energy: -1606.047 where: short stacking energy: -686.562 Base-Backbone interact. energy: -5.483 local terms energy: -687.843851 where: bonds (distance) C4'-P energy: -112.551 bonds (distance) P-C4' energy: -141.440 flat angles C4'-P-C4' energy: -151.663 flat angles P-C4'-P energy: -104.495 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: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -2064.111179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.111179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.111179 (E_RNA) where: Base-Base interactions energy: -1388.174 where: short stacking energy: -616.743 Base-Backbone interact. energy: 0.227 local terms energy: -676.164626 where: bonds (distance) C4'-P energy: -140.561 bonds (distance) P-C4' energy: -134.827 flat angles C4'-P-C4' energy: -148.607 flat angles P-C4'-P energy: -93.362 tors. eta vs tors. theta energy: -158.808 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: 10 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1523.199638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.199638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.199638 (E_RNA) where: Base-Base interactions energy: -975.898 where: short stacking energy: -481.529 Base-Backbone interact. energy: -0.964 local terms energy: -546.337177 where: bonds (distance) C4'-P energy: -99.719 bonds (distance) P-C4' energy: -147.307 flat angles C4'-P-C4' energy: -134.419 flat angles P-C4'-P energy: -71.787 tors. eta vs tors. theta energy: -93.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1118.600717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.600717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.600717 (E_RNA) where: Base-Base interactions energy: -609.389 where: short stacking energy: -309.078 Base-Backbone interact. energy: 1.726 local terms energy: -510.937805 where: bonds (distance) C4'-P energy: -134.376 bonds (distance) P-C4' energy: -150.400 flat angles C4'-P-C4' energy: -122.097 flat angles P-C4'-P energy: -79.849 tors. eta vs tors. theta energy: -24.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3104.547353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.547353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.547353 (E_RNA) where: Base-Base interactions energy: -2179.654 where: short stacking energy: -934.899 Base-Backbone interact. energy: -2.435 local terms energy: -922.458391 where: bonds (distance) C4'-P energy: -162.687 bonds (distance) P-C4' energy: -164.627 flat angles C4'-P-C4' energy: -190.627 flat angles P-C4'-P energy: -142.505 tors. eta vs tors. theta energy: -262.012 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: 5 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -3019.527952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.527952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.527952 (E_RNA) where: Base-Base interactions energy: -2106.033 where: short stacking energy: -907.272 Base-Backbone interact. energy: 5.899 local terms energy: -919.393510 where: bonds (distance) C4'-P energy: -163.681 bonds (distance) P-C4' energy: -163.176 flat angles C4'-P-C4' energy: -187.535 flat angles P-C4'-P energy: -138.573 tors. eta vs tors. theta energy: -266.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2916.786629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.786629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.786629 (E_RNA) where: Base-Base interactions energy: -2057.978 where: short stacking energy: -886.379 Base-Backbone interact. energy: -3.872 local terms energy: -854.936914 where: bonds (distance) C4'-P energy: -145.947 bonds (distance) P-C4' energy: -143.293 flat angles C4'-P-C4' energy: -187.824 flat angles P-C4'-P energy: -126.381 tors. eta vs tors. theta energy: -251.492 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: 6 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2819.348431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.348431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.348431 (E_RNA) where: Base-Base interactions energy: -1992.619 where: short stacking energy: -859.764 Base-Backbone interact. energy: -1.303 local terms energy: -825.426331 where: bonds (distance) C4'-P energy: -157.108 bonds (distance) P-C4' energy: -139.486 flat angles C4'-P-C4' energy: -172.039 flat angles P-C4'-P energy: -107.480 tors. eta vs tors. theta energy: -249.313 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: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2724.400501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.400501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.400501 (E_RNA) where: Base-Base interactions energy: -1911.306 where: short stacking energy: -827.894 Base-Backbone interact. energy: -1.884 local terms energy: -811.211417 where: bonds (distance) C4'-P energy: -151.678 bonds (distance) P-C4' energy: -135.778 flat angles C4'-P-C4' energy: -178.105 flat angles P-C4'-P energy: -117.772 tors. eta vs tors. theta energy: -227.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2582.203676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.203676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.203676 (E_RNA) where: Base-Base interactions energy: -1781.820 where: short stacking energy: -750.698 Base-Backbone interact. energy: 0.779 local terms energy: -801.162637 where: bonds (distance) C4'-P energy: -147.605 bonds (distance) P-C4' energy: -150.290 flat angles C4'-P-C4' energy: -176.060 flat angles P-C4'-P energy: -118.261 tors. eta vs tors. theta energy: -208.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2319.831742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.831742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.831742 (E_RNA) where: Base-Base interactions energy: -1602.372 where: short stacking energy: -683.445 Base-Backbone interact. energy: -3.872 local terms energy: -713.587255 where: bonds (distance) C4'-P energy: -139.775 bonds (distance) P-C4' energy: -147.010 flat angles C4'-P-C4' energy: -135.799 flat angles P-C4'-P energy: -105.593 tors. eta vs tors. theta energy: -185.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -2108.197375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.197375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.197375 (E_RNA) where: Base-Base interactions energy: -1395.117 where: short stacking energy: -601.770 Base-Backbone interact. energy: 2.831 local terms energy: -715.911707 where: bonds (distance) C4'-P energy: -148.401 bonds (distance) P-C4' energy: -145.277 flat angles C4'-P-C4' energy: -173.243 flat angles P-C4'-P energy: -91.372 tors. eta vs tors. theta energy: -157.619 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: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1522.823879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.823879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.823879 (E_RNA) where: Base-Base interactions energy: -986.111 where: short stacking energy: -483.668 Base-Backbone interact. energy: 16.346 local terms energy: -553.058959 where: bonds (distance) C4'-P energy: -110.652 bonds (distance) P-C4' energy: -150.711 flat angles C4'-P-C4' energy: -137.539 flat angles P-C4'-P energy: -76.407 tors. eta vs tors. theta energy: -77.750 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: 468 Temperature: 1.350000 Total energy: -1112.385672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.385672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.385672 (E_RNA) where: Base-Base interactions energy: -615.293 where: short stacking energy: -317.525 Base-Backbone interact. energy: 5.572 local terms energy: -502.664845 where: bonds (distance) C4'-P energy: -122.520 bonds (distance) P-C4' energy: -140.918 flat angles C4'-P-C4' energy: -138.712 flat angles P-C4'-P energy: -86.237 tors. eta vs tors. theta energy: -14.278 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: 3 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3142.852569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.852569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.852569 (E_RNA) where: Base-Base interactions energy: -2221.556 where: short stacking energy: -928.373 Base-Backbone interact. energy: -3.286 local terms energy: -918.010627 where: bonds (distance) C4'-P energy: -154.486 bonds (distance) P-C4' energy: -158.493 flat angles C4'-P-C4' energy: -207.412 flat angles P-C4'-P energy: -131.735 tors. eta vs tors. theta energy: -265.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -3034.270177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.270177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.270177 (E_RNA) where: Base-Base interactions energy: -2108.801 where: short stacking energy: -914.964 Base-Backbone interact. energy: -4.584 local terms energy: -920.886138 where: bonds (distance) C4'-P energy: -176.842 bonds (distance) P-C4' energy: -150.270 flat angles C4'-P-C4' energy: -192.886 flat angles P-C4'-P energy: -131.021 tors. eta vs tors. theta energy: -269.868 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: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2932.065357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.065357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.065357 (E_RNA) where: Base-Base interactions energy: -2073.748 where: short stacking energy: -866.790 Base-Backbone interact. energy: -2.708 local terms energy: -855.609367 where: bonds (distance) C4'-P energy: -150.379 bonds (distance) P-C4' energy: -146.616 flat angles C4'-P-C4' energy: -181.922 flat angles P-C4'-P energy: -121.077 tors. eta vs tors. theta energy: -255.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2834.202752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.202752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.202752 (E_RNA) where: Base-Base interactions energy: -2009.170 where: short stacking energy: -874.610 Base-Backbone interact. energy: -1.486 local terms energy: -823.546396 where: bonds (distance) C4'-P energy: -144.671 bonds (distance) P-C4' energy: -144.891 flat angles C4'-P-C4' energy: -183.947 flat angles P-C4'-P energy: -109.861 tors. eta vs tors. theta energy: -240.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2694.923658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.923658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.923658 (E_RNA) where: Base-Base interactions energy: -1890.354 where: short stacking energy: -842.518 Base-Backbone interact. energy: -1.920 local terms energy: -802.649671 where: bonds (distance) C4'-P energy: -130.971 bonds (distance) P-C4' energy: -145.295 flat angles C4'-P-C4' energy: -176.969 flat angles P-C4'-P energy: -107.750 tors. eta vs tors. theta energy: -241.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2552.415063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.415063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.415063 (E_RNA) where: Base-Base interactions energy: -1779.063 where: short stacking energy: -756.458 Base-Backbone interact. energy: 6.819 local terms energy: -780.170662 where: bonds (distance) C4'-P energy: -131.157 bonds (distance) P-C4' energy: -152.637 flat angles C4'-P-C4' energy: -167.745 flat angles P-C4'-P energy: -113.573 tors. eta vs tors. theta energy: -215.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2345.285742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.285742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.285742 (E_RNA) where: Base-Base interactions energy: -1629.274 where: short stacking energy: -742.055 Base-Backbone interact. energy: 0.883 local terms energy: -716.894526 where: bonds (distance) C4'-P energy: -121.813 bonds (distance) P-C4' energy: -132.093 flat angles C4'-P-C4' energy: -145.384 flat angles P-C4'-P energy: -104.311 tors. eta vs tors. theta energy: -213.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -2043.860553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.860553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.860553 (E_RNA) where: Base-Base interactions energy: -1385.898 where: short stacking energy: -611.762 Base-Backbone interact. energy: -0.333 local terms energy: -657.629412 where: bonds (distance) C4'-P energy: -125.078 bonds (distance) P-C4' energy: -138.307 flat angles C4'-P-C4' energy: -144.281 flat angles P-C4'-P energy: -84.985 tors. eta vs tors. theta energy: -164.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1552.158971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.158971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.158971 (E_RNA) where: Base-Base interactions energy: -959.324 where: short stacking energy: -437.607 Base-Backbone interact. energy: 1.258 local terms energy: -594.092444 where: bonds (distance) C4'-P energy: -143.378 bonds (distance) P-C4' energy: -146.242 flat angles C4'-P-C4' energy: -122.872 flat angles P-C4'-P energy: -96.043 tors. eta vs tors. theta energy: -85.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1097.843752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.843752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.843752 (E_RNA) where: Base-Base interactions energy: -645.097 where: short stacking energy: -334.895 Base-Backbone interact. energy: 5.577 local terms energy: -458.323536 where: bonds (distance) C4'-P energy: -126.914 bonds (distance) P-C4' energy: -136.690 flat angles C4'-P-C4' energy: -118.982 flat angles P-C4'-P energy: -47.181 tors. eta vs tors. theta energy: -28.557 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: 3 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3100.240346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.240346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.240346 (E_RNA) where: Base-Base interactions energy: -2183.039 where: short stacking energy: -917.266 Base-Backbone interact. energy: -0.735 local terms energy: -916.466723 where: bonds (distance) C4'-P energy: -163.376 bonds (distance) P-C4' energy: -162.537 flat angles C4'-P-C4' energy: -198.951 flat angles P-C4'-P energy: -123.533 tors. eta vs tors. theta energy: -268.070 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: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -3044.947021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.947021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.947021 (E_RNA) where: Base-Base interactions energy: -2113.233 where: short stacking energy: -942.923 Base-Backbone interact. energy: -1.500 local terms energy: -930.213825 where: bonds (distance) C4'-P energy: -149.085 bonds (distance) P-C4' energy: -171.674 flat angles C4'-P-C4' energy: -195.806 flat angles P-C4'-P energy: -136.756 tors. eta vs tors. theta energy: -276.893 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: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2946.385451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.385451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.385451 (E_RNA) where: Base-Base interactions energy: -2071.895 where: short stacking energy: -894.263 Base-Backbone interact. energy: -3.616 local terms energy: -870.874316 where: bonds (distance) C4'-P energy: -161.447 bonds (distance) P-C4' energy: -135.205 flat angles C4'-P-C4' energy: -190.867 flat angles P-C4'-P energy: -125.091 tors. eta vs tors. theta energy: -258.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2830.919031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.919031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.919031 (E_RNA) where: Base-Base interactions energy: -2027.605 where: short stacking energy: -867.719 Base-Backbone interact. energy: -3.460 local terms energy: -799.853962 where: bonds (distance) C4'-P energy: -129.536 bonds (distance) P-C4' energy: -138.809 flat angles C4'-P-C4' energy: -170.925 flat angles P-C4'-P energy: -115.834 tors. eta vs tors. theta energy: -244.750 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: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2725.892312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.892312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.892312 (E_RNA) where: Base-Base interactions energy: -1920.536 where: short stacking energy: -838.665 Base-Backbone interact. energy: -1.657 local terms energy: -803.699629 where: bonds (distance) C4'-P energy: -139.546 bonds (distance) P-C4' energy: -160.872 flat angles C4'-P-C4' energy: -166.784 flat angles P-C4'-P energy: -105.283 tors. eta vs tors. theta energy: -231.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2559.881984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.881984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.881984 (E_RNA) where: Base-Base interactions energy: -1834.031 where: short stacking energy: -754.013 Base-Backbone interact. energy: -3.548 local terms energy: -722.303021 where: bonds (distance) C4'-P energy: -128.685 bonds (distance) P-C4' energy: -120.551 flat angles C4'-P-C4' energy: -166.456 flat angles P-C4'-P energy: -106.099 tors. eta vs tors. theta energy: -200.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2301.123877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.123877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.123877 (E_RNA) where: Base-Base interactions energy: -1552.835 where: short stacking energy: -686.934 Base-Backbone interact. energy: -1.937 local terms energy: -746.351716 where: bonds (distance) C4'-P energy: -150.038 bonds (distance) P-C4' energy: -143.719 flat angles C4'-P-C4' energy: -164.635 flat angles P-C4'-P energy: -98.531 tors. eta vs tors. theta energy: -189.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -2096.740113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.740113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.740113 (E_RNA) where: Base-Base interactions energy: -1442.817 where: short stacking energy: -623.422 Base-Backbone interact. energy: 0.373 local terms energy: -654.296249 where: bonds (distance) C4'-P energy: -144.441 bonds (distance) P-C4' energy: -123.434 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -88.324 tors. eta vs tors. theta energy: -145.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1567.879281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.879281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.879281 (E_RNA) where: Base-Base interactions energy: -997.876 where: short stacking energy: -455.754 Base-Backbone interact. energy: 1.588 local terms energy: -571.591322 where: bonds (distance) C4'-P energy: -139.336 bonds (distance) P-C4' energy: -133.284 flat angles C4'-P-C4' energy: -140.619 flat angles P-C4'-P energy: -75.646 tors. eta vs tors. theta energy: -82.707 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: 9 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1111.405543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.405543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.405543 (E_RNA) where: Base-Base interactions energy: -639.560 where: short stacking energy: -327.304 Base-Backbone interact. energy: -0.899 local terms energy: -470.947188 where: bonds (distance) C4'-P energy: -126.185 bonds (distance) P-C4' energy: -128.869 flat angles C4'-P-C4' energy: -114.163 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: -26.579 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: 3 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3131.126030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.126030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.126030 (E_RNA) where: Base-Base interactions energy: -2219.727 where: short stacking energy: -948.325 Base-Backbone interact. energy: 4.120 local terms energy: -915.519172 where: bonds (distance) C4'-P energy: -160.312 bonds (distance) P-C4' energy: -142.049 flat angles C4'-P-C4' energy: -201.217 flat angles P-C4'-P energy: -136.198 tors. eta vs tors. theta energy: -275.744 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: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3044.205352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.205352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.205352 (E_RNA) where: Base-Base interactions energy: -2117.247 where: short stacking energy: -946.413 Base-Backbone interact. energy: -1.493 local terms energy: -925.465779 where: bonds (distance) C4'-P energy: -159.995 bonds (distance) P-C4' energy: -156.594 flat angles C4'-P-C4' energy: -197.206 flat angles P-C4'-P energy: -125.268 tors. eta vs tors. theta energy: -286.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2933.467058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.467058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.467058 (E_RNA) where: Base-Base interactions energy: -2061.390 where: short stacking energy: -896.875 Base-Backbone interact. energy: -4.058 local terms energy: -868.019286 where: bonds (distance) C4'-P energy: -155.976 bonds (distance) P-C4' energy: -155.306 flat angles C4'-P-C4' energy: -187.044 flat angles P-C4'-P energy: -117.938 tors. eta vs tors. theta energy: -251.755 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: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2773.937704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.937704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.937704 (E_RNA) where: Base-Base interactions energy: -1956.325 where: short stacking energy: -858.262 Base-Backbone interact. energy: 0.894 local terms energy: -818.506529 where: bonds (distance) C4'-P energy: -148.933 bonds (distance) P-C4' energy: -161.886 flat angles C4'-P-C4' energy: -157.703 flat angles P-C4'-P energy: -106.819 tors. eta vs tors. theta energy: -243.165 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: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2682.940043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.940043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.940043 (E_RNA) where: Base-Base interactions energy: -1867.222 where: short stacking energy: -775.352 Base-Backbone interact. energy: -4.279 local terms energy: -811.438446 where: bonds (distance) C4'-P energy: -147.855 bonds (distance) P-C4' energy: -156.032 flat angles C4'-P-C4' energy: -178.757 flat angles P-C4'-P energy: -113.921 tors. eta vs tors. theta energy: -214.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2551.566705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.566705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.566705 (E_RNA) where: Base-Base interactions energy: -1795.576 where: short stacking energy: -753.849 Base-Backbone interact. energy: -4.619 local terms energy: -751.371407 where: bonds (distance) C4'-P energy: -115.477 bonds (distance) P-C4' energy: -157.946 flat angles C4'-P-C4' energy: -161.137 flat angles P-C4'-P energy: -111.760 tors. eta vs tors. theta energy: -205.051 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: 471 Temperature: 1.200000 Total energy: -2378.820256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.820256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.820256 (E_RNA) where: Base-Base interactions energy: -1647.070 where: short stacking energy: -718.902 Base-Backbone interact. energy: -1.516 local terms energy: -730.234792 where: bonds (distance) C4'-P energy: -140.003 bonds (distance) P-C4' energy: -124.450 flat angles C4'-P-C4' energy: -156.578 flat angles P-C4'-P energy: -100.329 tors. eta vs tors. theta energy: -208.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -2067.712224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.712224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.712224 (E_RNA) where: Base-Base interactions energy: -1414.252 where: short stacking energy: -643.767 Base-Backbone interact. energy: 1.195 local terms energy: -654.655395 where: bonds (distance) C4'-P energy: -121.040 bonds (distance) P-C4' energy: -135.936 flat angles C4'-P-C4' energy: -153.317 flat angles P-C4'-P energy: -87.999 tors. eta vs tors. theta energy: -156.364 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: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1625.731612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.731612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.731612 (E_RNA) where: Base-Base interactions energy: -1061.333 where: short stacking energy: -477.197 Base-Backbone interact. energy: 0.212 local terms energy: -564.610878 where: bonds (distance) C4'-P energy: -129.572 bonds (distance) P-C4' energy: -139.362 flat angles C4'-P-C4' energy: -125.175 flat angles P-C4'-P energy: -78.593 tors. eta vs tors. theta energy: -91.908 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: 9 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1103.239658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.239658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.239658 (E_RNA) where: Base-Base interactions energy: -630.881 where: short stacking energy: -326.913 Base-Backbone interact. energy: -3.298 local terms energy: -469.060959 where: bonds (distance) C4'-P energy: -136.962 bonds (distance) P-C4' energy: -134.605 flat angles C4'-P-C4' energy: -112.158 flat angles P-C4'-P energy: -71.921 tors. eta vs tors. theta energy: -13.415 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: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3115.485201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.485201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.485201 (E_RNA) where: Base-Base interactions energy: -2199.133 where: short stacking energy: -904.008 Base-Backbone interact. energy: -3.894 local terms energy: -912.458275 where: bonds (distance) C4'-P energy: -157.898 bonds (distance) P-C4' energy: -182.068 flat angles C4'-P-C4' energy: -182.540 flat angles P-C4'-P energy: -140.325 tors. eta vs tors. theta energy: -249.627 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: 2, replica: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3031.203746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.203746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.203746 (E_RNA) where: Base-Base interactions energy: -2084.576 where: short stacking energy: -908.184 Base-Backbone interact. energy: -5.178 local terms energy: -941.449630 where: bonds (distance) C4'-P energy: -167.762 bonds (distance) P-C4' energy: -165.191 flat angles C4'-P-C4' energy: -201.618 flat angles P-C4'-P energy: -135.147 tors. eta vs tors. theta energy: -271.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2932.408609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.408609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.408609 (E_RNA) where: Base-Base interactions energy: -2053.731 where: short stacking energy: -872.543 Base-Backbone interact. energy: -4.520 local terms energy: -874.158157 where: bonds (distance) C4'-P energy: -144.825 bonds (distance) P-C4' energy: -149.420 flat angles C4'-P-C4' energy: -186.707 flat angles P-C4'-P energy: -130.271 tors. eta vs tors. theta energy: -262.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2873.450446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.450446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.450446 (E_RNA) where: Base-Base interactions energy: -2046.529 where: short stacking energy: -897.193 Base-Backbone interact. energy: -0.352 local terms energy: -826.569425 where: bonds (distance) C4'-P energy: -135.014 bonds (distance) P-C4' energy: -144.583 flat angles C4'-P-C4' energy: -182.041 flat angles P-C4'-P energy: -114.190 tors. eta vs tors. theta energy: -250.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2685.534943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.534943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.534943 (E_RNA) where: Base-Base interactions energy: -1897.363 where: short stacking energy: -850.035 Base-Backbone interact. energy: -2.119 local terms energy: -786.052907 where: bonds (distance) C4'-P energy: -166.717 bonds (distance) P-C4' energy: -138.390 flat angles C4'-P-C4' energy: -156.160 flat angles P-C4'-P energy: -94.148 tors. eta vs tors. theta energy: -230.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2549.326164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.326164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.326164 (E_RNA) where: Base-Base interactions energy: -1798.978 where: short stacking energy: -770.170 Base-Backbone interact. energy: 1.983 local terms energy: -752.330993 where: bonds (distance) C4'-P energy: -122.516 bonds (distance) P-C4' energy: -151.667 flat angles C4'-P-C4' energy: -163.233 flat angles P-C4'-P energy: -106.224 tors. eta vs tors. theta energy: -208.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2357.743667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.743667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.743667 (E_RNA) where: Base-Base interactions energy: -1632.620 where: short stacking energy: -727.543 Base-Backbone interact. energy: -2.562 local terms energy: -722.561373 where: bonds (distance) C4'-P energy: -138.391 bonds (distance) P-C4' energy: -143.367 flat angles C4'-P-C4' energy: -155.487 flat angles P-C4'-P energy: -99.454 tors. eta vs tors. theta energy: -185.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -2085.254736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.254736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.254736 (E_RNA) where: Base-Base interactions energy: -1410.185 where: short stacking energy: -631.088 Base-Backbone interact. energy: 0.276 local terms energy: -675.346078 where: bonds (distance) C4'-P energy: -126.017 bonds (distance) P-C4' energy: -132.459 flat angles C4'-P-C4' energy: -150.319 flat angles P-C4'-P energy: -116.674 tors. eta vs tors. theta energy: -149.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1620.850392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.850392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.850392 (E_RNA) where: Base-Base interactions energy: -1051.579 where: short stacking energy: -454.310 Base-Backbone interact. energy: 3.857 local terms energy: -573.127895 where: bonds (distance) C4'-P energy: -122.014 bonds (distance) P-C4' energy: -150.637 flat angles C4'-P-C4' energy: -134.894 flat angles P-C4'-P energy: -76.286 tors. eta vs tors. theta energy: -89.297 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: 472 Temperature: 1.350000 Total energy: -1093.059818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.059818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.059818 (E_RNA) where: Base-Base interactions energy: -654.483 where: short stacking energy: -335.170 Base-Backbone interact. energy: 10.479 local terms energy: -449.055358 where: bonds (distance) C4'-P energy: -117.425 bonds (distance) P-C4' energy: -120.738 flat angles C4'-P-C4' energy: -120.899 flat angles P-C4'-P energy: -71.193 tors. eta vs tors. theta energy: -18.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3094.905194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.905194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.905194 (E_RNA) where: Base-Base interactions energy: -2175.312 where: short stacking energy: -932.501 Base-Backbone interact. energy: -5.899 local terms energy: -913.694036 where: bonds (distance) C4'-P energy: -158.066 bonds (distance) P-C4' energy: -168.572 flat angles C4'-P-C4' energy: -187.744 flat angles P-C4'-P energy: -128.072 tors. eta vs tors. theta energy: -271.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -3037.806969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.806969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.806969 (E_RNA) where: Base-Base interactions energy: -2116.791 where: short stacking energy: -934.526 Base-Backbone interact. energy: -0.371 local terms energy: -920.644625 where: bonds (distance) C4'-P energy: -152.874 bonds (distance) P-C4' energy: -166.570 flat angles C4'-P-C4' energy: -195.249 flat angles P-C4'-P energy: -128.341 tors. eta vs tors. theta energy: -277.611 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: 4 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2948.851606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.851606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.851606 (E_RNA) where: Base-Base interactions energy: -2080.033 where: short stacking energy: -892.253 Base-Backbone interact. energy: -2.499 local terms energy: -866.319481 where: bonds (distance) C4'-P energy: -152.473 bonds (distance) P-C4' energy: -149.851 flat angles C4'-P-C4' energy: -175.353 flat angles P-C4'-P energy: -133.322 tors. eta vs tors. theta energy: -255.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2810.625226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.625226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.625226 (E_RNA) where: Base-Base interactions energy: -1937.693 where: short stacking energy: -844.116 Base-Backbone interact. energy: -2.869 local terms energy: -870.063169 where: bonds (distance) C4'-P energy: -145.372 bonds (distance) P-C4' energy: -167.453 flat angles C4'-P-C4' energy: -186.663 flat angles P-C4'-P energy: -116.891 tors. eta vs tors. theta energy: -253.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2764.883413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.883413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.883413 (E_RNA) where: Base-Base interactions energy: -1941.949 where: short stacking energy: -850.383 Base-Backbone interact. energy: -2.471 local terms energy: -820.464048 where: bonds (distance) C4'-P energy: -131.201 bonds (distance) P-C4' energy: -145.140 flat angles C4'-P-C4' energy: -182.855 flat angles P-C4'-P energy: -112.520 tors. eta vs tors. theta energy: -248.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2623.149399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.149399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.149399 (E_RNA) where: Base-Base interactions energy: -1804.458 where: short stacking energy: -798.847 Base-Backbone interact. energy: -0.197 local terms energy: -818.494034 where: bonds (distance) C4'-P energy: -140.552 bonds (distance) P-C4' energy: -153.436 flat angles C4'-P-C4' energy: -184.957 flat angles P-C4'-P energy: -111.692 tors. eta vs tors. theta energy: -227.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2306.620409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.620409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.620409 (E_RNA) where: Base-Base interactions energy: -1564.456 where: short stacking energy: -708.958 Base-Backbone interact. energy: -2.608 local terms energy: -739.556025 where: bonds (distance) C4'-P energy: -136.696 bonds (distance) P-C4' energy: -152.086 flat angles C4'-P-C4' energy: -160.027 flat angles P-C4'-P energy: -103.099 tors. eta vs tors. theta energy: -187.648 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: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -2129.404932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.404932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.404932 (E_RNA) where: Base-Base interactions energy: -1478.069 where: short stacking energy: -634.842 Base-Backbone interact. energy: -1.731 local terms energy: -649.605640 where: bonds (distance) C4'-P energy: -129.120 bonds (distance) P-C4' energy: -142.117 flat angles C4'-P-C4' energy: -148.696 flat angles P-C4'-P energy: -89.000 tors. eta vs tors. theta energy: -140.673 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: 10 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1699.182625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.182625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.182625 (E_RNA) where: Base-Base interactions energy: -1125.719 where: short stacking energy: -506.845 Base-Backbone interact. energy: -0.819 local terms energy: -572.644644 where: bonds (distance) C4'-P energy: -134.788 bonds (distance) P-C4' energy: -138.653 flat angles C4'-P-C4' energy: -124.463 flat angles P-C4'-P energy: -83.823 tors. eta vs tors. theta energy: -90.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1137.129828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.129828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.129828 (E_RNA) where: Base-Base interactions energy: -658.972 where: short stacking energy: -314.790 Base-Backbone interact. energy: -3.031 local terms energy: -475.126695 where: bonds (distance) C4'-P energy: -134.582 bonds (distance) P-C4' energy: -135.697 flat angles C4'-P-C4' energy: -108.952 flat angles P-C4'-P energy: -65.800 tors. eta vs tors. theta energy: -30.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3120.412368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.412368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.412368 (E_RNA) where: Base-Base interactions energy: -2218.980 where: short stacking energy: -940.667 Base-Backbone interact. energy: -1.397 local terms energy: -900.035631 where: bonds (distance) C4'-P energy: -168.129 bonds (distance) P-C4' energy: -163.535 flat angles C4'-P-C4' energy: -188.215 flat angles P-C4'-P energy: -115.882 tors. eta vs tors. theta energy: -264.274 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: 5 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -3024.322439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.322439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.322439 (E_RNA) where: Base-Base interactions energy: -2099.775 where: short stacking energy: -947.310 Base-Backbone interact. energy: -1.997 local terms energy: -922.550215 where: bonds (distance) C4'-P energy: -173.146 bonds (distance) P-C4' energy: -156.704 flat angles C4'-P-C4' energy: -189.417 flat angles P-C4'-P energy: -124.662 tors. eta vs tors. theta energy: -278.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2944.551664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.551664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.551664 (E_RNA) where: Base-Base interactions energy: -2082.059 where: short stacking energy: -879.431 Base-Backbone interact. energy: -2.811 local terms energy: -859.682055 where: bonds (distance) C4'-P energy: -141.245 bonds (distance) P-C4' energy: -157.779 flat angles C4'-P-C4' energy: -178.817 flat angles P-C4'-P energy: -118.488 tors. eta vs tors. theta energy: -263.353 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: 474 Temperature: 1.050000 Total energy: -2800.227498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.227498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.227498 (E_RNA) where: Base-Base interactions energy: -1967.097 where: short stacking energy: -838.807 Base-Backbone interact. energy: -1.630 local terms energy: -831.500043 where: bonds (distance) C4'-P energy: -140.895 bonds (distance) P-C4' energy: -169.443 flat angles C4'-P-C4' energy: -164.800 flat angles P-C4'-P energy: -114.686 tors. eta vs tors. theta energy: -241.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2700.629932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.629932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.629932 (E_RNA) where: Base-Base interactions energy: -1926.016 where: short stacking energy: -837.644 Base-Backbone interact. energy: -1.801 local terms energy: -772.813649 where: bonds (distance) C4'-P energy: -129.293 bonds (distance) P-C4' energy: -117.814 flat angles C4'-P-C4' energy: -177.469 flat angles P-C4'-P energy: -106.605 tors. eta vs tors. theta energy: -241.632 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: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2587.508401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.508401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.508401 (E_RNA) where: Base-Base interactions energy: -1809.073 where: short stacking energy: -761.449 Base-Backbone interact. energy: -0.878 local terms energy: -777.558059 where: bonds (distance) C4'-P energy: -156.314 bonds (distance) P-C4' energy: -146.230 flat angles C4'-P-C4' energy: -153.390 flat angles P-C4'-P energy: -109.190 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: 2 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2343.161738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.161738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.161738 (E_RNA) where: Base-Base interactions energy: -1622.173 where: short stacking energy: -723.284 Base-Backbone interact. energy: -1.338 local terms energy: -719.650590 where: bonds (distance) C4'-P energy: -134.785 bonds (distance) P-C4' energy: -137.520 flat angles C4'-P-C4' energy: -155.694 flat angles P-C4'-P energy: -102.039 tors. eta vs tors. theta energy: -189.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -2098.199183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.199183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.199183 (E_RNA) where: Base-Base interactions energy: -1419.061 where: short stacking energy: -620.102 Base-Backbone interact. energy: 0.732 local terms energy: -679.870723 where: bonds (distance) C4'-P energy: -128.235 bonds (distance) P-C4' energy: -157.779 flat angles C4'-P-C4' energy: -148.618 flat angles P-C4'-P energy: -84.708 tors. eta vs tors. theta energy: -160.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1736.984121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.984121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.984121 (E_RNA) where: Base-Base interactions energy: -1129.424 where: short stacking energy: -491.494 Base-Backbone interact. energy: -3.896 local terms energy: -603.663885 where: bonds (distance) C4'-P energy: -137.912 bonds (distance) P-C4' energy: -130.103 flat angles C4'-P-C4' energy: -131.569 flat angles P-C4'-P energy: -81.392 tors. eta vs tors. theta energy: -122.687 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: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1205.411149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.411149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.411149 (E_RNA) where: Base-Base interactions energy: -763.102 where: short stacking energy: -344.396 Base-Backbone interact. energy: 1.373 local terms energy: -443.681585 where: bonds (distance) C4'-P energy: -112.775 bonds (distance) P-C4' energy: -136.345 flat angles C4'-P-C4' energy: -109.217 flat angles P-C4'-P energy: -70.771 tors. eta vs tors. theta energy: -14.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3105.944380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.944380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.944380 (E_RNA) where: Base-Base interactions energy: -2163.034 where: short stacking energy: -900.911 Base-Backbone interact. energy: -1.910 local terms energy: -941.000524 where: bonds (distance) C4'-P energy: -170.825 bonds (distance) P-C4' energy: -175.813 flat angles C4'-P-C4' energy: -192.635 flat angles P-C4'-P energy: -134.109 tors. eta vs tors. theta energy: -267.620 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: 5 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -3014.753348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.753348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.753348 (E_RNA) where: Base-Base interactions energy: -2084.626 where: short stacking energy: -933.047 Base-Backbone interact. energy: -0.125 local terms energy: -930.001765 where: bonds (distance) C4'-P energy: -159.655 bonds (distance) P-C4' energy: -162.427 flat angles C4'-P-C4' energy: -188.460 flat angles P-C4'-P energy: -134.946 tors. eta vs tors. theta energy: -284.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2947.795794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.795794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.795794 (E_RNA) where: Base-Base interactions energy: -2040.484 where: short stacking energy: -880.302 Base-Backbone interact. energy: -2.041 local terms energy: -905.270574 where: bonds (distance) C4'-P energy: -156.298 bonds (distance) P-C4' energy: -169.457 flat angles C4'-P-C4' energy: -200.749 flat angles P-C4'-P energy: -117.945 tors. eta vs tors. theta energy: -260.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2839.176551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.176551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.176551 (E_RNA) where: Base-Base interactions energy: -1991.455 where: short stacking energy: -858.439 Base-Backbone interact. energy: -3.864 local terms energy: -843.857442 where: bonds (distance) C4'-P energy: -133.659 bonds (distance) P-C4' energy: -154.586 flat angles C4'-P-C4' energy: -185.746 flat angles P-C4'-P energy: -114.893 tors. eta vs tors. theta energy: -254.973 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: 5, replica: 8 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2690.345819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.345819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.345819 (E_RNA) where: Base-Base interactions energy: -1902.632 where: short stacking energy: -844.546 Base-Backbone interact. energy: 0.182 local terms energy: -787.895450 where: bonds (distance) C4'-P energy: -132.340 bonds (distance) P-C4' energy: -143.334 flat angles C4'-P-C4' energy: -172.174 flat angles P-C4'-P energy: -106.773 tors. eta vs tors. theta energy: -233.275 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: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2504.724207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.724207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.724207 (E_RNA) where: Base-Base interactions energy: -1746.234 where: short stacking energy: -732.742 Base-Backbone interact. energy: -0.083 local terms energy: -758.406821 where: bonds (distance) C4'-P energy: -143.004 bonds (distance) P-C4' energy: -163.281 flat angles C4'-P-C4' energy: -159.156 flat angles P-C4'-P energy: -99.169 tors. eta vs tors. theta energy: -193.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2230.648399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.648399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.648399 (E_RNA) where: Base-Base interactions energy: -1530.353 where: short stacking energy: -699.980 Base-Backbone interact. energy: -3.557 local terms energy: -696.738547 where: bonds (distance) C4'-P energy: -124.978 bonds (distance) P-C4' energy: -135.873 flat angles C4'-P-C4' energy: -168.306 flat angles P-C4'-P energy: -100.934 tors. eta vs tors. theta energy: -166.648 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: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -2065.581673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.581673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.581673 (E_RNA) where: Base-Base interactions energy: -1386.816 where: short stacking energy: -588.389 Base-Backbone interact. energy: 1.481 local terms energy: -680.246750 where: bonds (distance) C4'-P energy: -136.004 bonds (distance) P-C4' energy: -146.923 flat angles C4'-P-C4' energy: -154.451 flat angles P-C4'-P energy: -107.568 tors. eta vs tors. theta energy: -135.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1677.141614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.141614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.141614 (E_RNA) where: Base-Base interactions energy: -1120.238 where: short stacking energy: -504.513 Base-Backbone interact. energy: 0.613 local terms energy: -557.516431 where: bonds (distance) C4'-P energy: -116.201 bonds (distance) P-C4' energy: -118.127 flat angles C4'-P-C4' energy: -136.971 flat angles P-C4'-P energy: -80.664 tors. eta vs tors. theta energy: -105.554 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: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -1207.279162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.279162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.279162 (E_RNA) where: Base-Base interactions energy: -719.081 where: short stacking energy: -334.622 Base-Backbone interact. energy: 2.824 local terms energy: -491.022037 where: bonds (distance) C4'-P energy: -131.176 bonds (distance) P-C4' energy: -142.701 flat angles C4'-P-C4' energy: -125.580 flat angles P-C4'-P energy: -66.446 tors. eta vs tors. theta energy: -25.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3099.563128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.563128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.563128 (E_RNA) where: Base-Base interactions energy: -2182.569 where: short stacking energy: -916.287 Base-Backbone interact. energy: -8.249 local terms energy: -908.745197 where: bonds (distance) C4'-P energy: -149.115 bonds (distance) P-C4' energy: -171.727 flat angles C4'-P-C4' energy: -198.923 flat angles P-C4'-P energy: -124.213 tors. eta vs tors. theta energy: -264.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -3015.317872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.317872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.317872 (E_RNA) where: Base-Base interactions energy: -2086.485 where: short stacking energy: -928.898 Base-Backbone interact. energy: -4.831 local terms energy: -924.002639 where: bonds (distance) C4'-P energy: -157.859 bonds (distance) P-C4' energy: -161.396 flat angles C4'-P-C4' energy: -184.455 flat angles P-C4'-P energy: -133.800 tors. eta vs tors. theta energy: -286.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2931.485314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.485314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.485314 (E_RNA) where: Base-Base interactions energy: -2059.647 where: short stacking energy: -896.336 Base-Backbone interact. energy: -5.619 local terms energy: -866.219523 where: bonds (distance) C4'-P energy: -151.602 bonds (distance) P-C4' energy: -161.557 flat angles C4'-P-C4' energy: -174.464 flat angles P-C4'-P energy: -117.305 tors. eta vs tors. theta energy: -261.292 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: 476 Temperature: 1.050000 Total energy: -2772.939765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.939765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.939765 (E_RNA) where: Base-Base interactions energy: -1937.821 where: short stacking energy: -856.183 Base-Backbone interact. energy: -3.830 local terms energy: -831.288340 where: bonds (distance) C4'-P energy: -153.181 bonds (distance) P-C4' energy: -137.290 flat angles C4'-P-C4' energy: -169.600 flat angles P-C4'-P energy: -129.344 tors. eta vs tors. theta energy: -241.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2713.885221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.885221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.885221 (E_RNA) where: Base-Base interactions energy: -1904.972 where: short stacking energy: -812.622 Base-Backbone interact. energy: 0.021 local terms energy: -808.933885 where: bonds (distance) C4'-P energy: -133.934 bonds (distance) P-C4' energy: -145.155 flat angles C4'-P-C4' energy: -178.693 flat angles P-C4'-P energy: -112.141 tors. eta vs tors. theta energy: -239.011 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: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2570.124152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.124152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.124152 (E_RNA) where: Base-Base interactions energy: -1786.514 where: short stacking energy: -800.303 Base-Backbone interact. energy: -1.952 local terms energy: -781.658443 where: bonds (distance) C4'-P energy: -150.460 bonds (distance) P-C4' energy: -129.197 flat angles C4'-P-C4' energy: -174.211 flat angles P-C4'-P energy: -114.429 tors. eta vs tors. theta energy: -213.361 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: 476 Temperature: 1.200000 Total energy: -2275.549028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.549028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.549028 (E_RNA) where: Base-Base interactions energy: -1554.128 where: short stacking energy: -684.903 Base-Backbone interact. energy: -1.222 local terms energy: -720.198534 where: bonds (distance) C4'-P energy: -125.506 bonds (distance) P-C4' energy: -144.984 flat angles C4'-P-C4' energy: -163.006 flat angles P-C4'-P energy: -106.308 tors. eta vs tors. theta energy: -180.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -2090.526797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.526797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.526797 (E_RNA) where: Base-Base interactions energy: -1427.942 where: short stacking energy: -640.775 Base-Backbone interact. energy: -1.294 local terms energy: -661.290945 where: bonds (distance) C4'-P energy: -123.457 bonds (distance) P-C4' energy: -151.897 flat angles C4'-P-C4' energy: -144.054 flat angles P-C4'-P energy: -90.383 tors. eta vs tors. theta energy: -151.500 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: 10 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1692.254389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.254389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.254389 (E_RNA) where: Base-Base interactions energy: -1089.869 where: short stacking energy: -475.711 Base-Backbone interact. energy: 8.809 local terms energy: -611.194772 where: bonds (distance) C4'-P energy: -142.920 bonds (distance) P-C4' energy: -157.038 flat angles C4'-P-C4' energy: -144.912 flat angles P-C4'-P energy: -73.995 tors. eta vs tors. theta energy: -92.330 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: 9 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1199.850276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.850276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.850276 (E_RNA) where: Base-Base interactions energy: -731.837 where: short stacking energy: -377.739 Base-Backbone interact. energy: 1.402 local terms energy: -469.415217 where: bonds (distance) C4'-P energy: -97.136 bonds (distance) P-C4' energy: -132.345 flat angles C4'-P-C4' energy: -147.987 flat angles P-C4'-P energy: -57.697 tors. eta vs tors. theta energy: -34.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3100.960569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.960569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.960569 (E_RNA) where: Base-Base interactions energy: -2188.245 where: short stacking energy: -939.285 Base-Backbone interact. energy: 2.431 local terms energy: -915.146515 where: bonds (distance) C4'-P energy: -164.476 bonds (distance) P-C4' energy: -171.167 flat angles C4'-P-C4' energy: -189.230 flat angles P-C4'-P energy: -117.055 tors. eta vs tors. theta energy: -273.218 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: 2, replica: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2993.734388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.734388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.734388 (E_RNA) where: Base-Base interactions energy: -2098.675 where: short stacking energy: -931.824 Base-Backbone interact. energy: -3.509 local terms energy: -891.550362 where: bonds (distance) C4'-P energy: -156.867 bonds (distance) P-C4' energy: -149.156 flat angles C4'-P-C4' energy: -179.028 flat angles P-C4'-P energy: -125.658 tors. eta vs tors. theta energy: -280.842 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: 4 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2912.983288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.983288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.983288 (E_RNA) where: Base-Base interactions energy: -2045.757 where: short stacking energy: -879.062 Base-Backbone interact. energy: -3.223 local terms energy: -864.002624 where: bonds (distance) C4'-P energy: -150.711 bonds (distance) P-C4' energy: -145.465 flat angles C4'-P-C4' energy: -188.234 flat angles P-C4'-P energy: -117.259 tors. eta vs tors. theta energy: -262.334 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: 6 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2810.469374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.469374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.469374 (E_RNA) where: Base-Base interactions energy: -1961.835 where: short stacking energy: -845.203 Base-Backbone interact. energy: -3.933 local terms energy: -844.701222 where: bonds (distance) C4'-P energy: -155.176 bonds (distance) P-C4' energy: -150.584 flat angles C4'-P-C4' energy: -180.115 flat angles P-C4'-P energy: -117.069 tors. eta vs tors. theta energy: -241.757 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: 8 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2680.992758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.992758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.992758 (E_RNA) where: Base-Base interactions energy: -1844.827 where: short stacking energy: -812.805 Base-Backbone interact. energy: -3.443 local terms energy: -832.723273 where: bonds (distance) C4'-P energy: -143.532 bonds (distance) P-C4' energy: -156.778 flat angles C4'-P-C4' energy: -170.437 flat angles P-C4'-P energy: -124.107 tors. eta vs tors. theta energy: -237.870 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: 6, replica: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2567.175451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.175451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.175451 (E_RNA) where: Base-Base interactions energy: -1809.316 where: short stacking energy: -783.324 Base-Backbone interact. energy: -1.336 local terms energy: -756.523033 where: bonds (distance) C4'-P energy: -125.653 bonds (distance) P-C4' energy: -135.265 flat angles C4'-P-C4' energy: -178.008 flat angles P-C4'-P energy: -108.204 tors. eta vs tors. theta energy: -209.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2288.612340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.612340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.612340 (E_RNA) where: Base-Base interactions energy: -1580.190 where: short stacking energy: -683.549 Base-Backbone interact. energy: -1.778 local terms energy: -706.644773 where: bonds (distance) C4'-P energy: -132.467 bonds (distance) P-C4' energy: -144.672 flat angles C4'-P-C4' energy: -167.344 flat angles P-C4'-P energy: -81.696 tors. eta vs tors. theta energy: -180.467 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: 477 Temperature: 1.250000 Total energy: -2035.467648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.467648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.467648 (E_RNA) where: Base-Base interactions energy: -1380.820 where: short stacking energy: -612.568 Base-Backbone interact. energy: -1.893 local terms energy: -652.754514 where: bonds (distance) C4'-P energy: -135.629 bonds (distance) P-C4' energy: -131.674 flat angles C4'-P-C4' energy: -133.728 flat angles P-C4'-P energy: -106.985 tors. eta vs tors. theta energy: -144.738 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: 10 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1703.791627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.791627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.791627 (E_RNA) where: Base-Base interactions energy: -1136.992 where: short stacking energy: -531.399 Base-Backbone interact. energy: -2.981 local terms energy: -563.818382 where: bonds (distance) C4'-P energy: -107.054 bonds (distance) P-C4' energy: -122.751 flat angles C4'-P-C4' energy: -132.901 flat angles P-C4'-P energy: -86.527 tors. eta vs tors. theta energy: -114.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1224.531907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.531907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.531907 (E_RNA) where: Base-Base interactions energy: -769.909 where: short stacking energy: -336.778 Base-Backbone interact. energy: 10.340 local terms energy: -464.963119 where: bonds (distance) C4'-P energy: -110.634 bonds (distance) P-C4' energy: -136.527 flat angles C4'-P-C4' energy: -121.177 flat angles P-C4'-P energy: -70.402 tors. eta vs tors. theta energy: -26.222 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: 3 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3106.389962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.389962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.389962 (E_RNA) where: Base-Base interactions energy: -2178.117 where: short stacking energy: -914.870 Base-Backbone interact. energy: -2.870 local terms energy: -925.402969 where: bonds (distance) C4'-P energy: -156.607 bonds (distance) P-C4' energy: -176.281 flat angles C4'-P-C4' energy: -195.179 flat angles P-C4'-P energy: -129.307 tors. eta vs tors. theta energy: -268.029 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: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2997.824446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.824446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.824446 (E_RNA) where: Base-Base interactions energy: -2088.032 where: short stacking energy: -916.287 Base-Backbone interact. energy: -3.072 local terms energy: -906.719933 where: bonds (distance) C4'-P energy: -152.075 bonds (distance) P-C4' energy: -153.825 flat angles C4'-P-C4' energy: -185.305 flat angles P-C4'-P energy: -138.150 tors. eta vs tors. theta energy: -277.366 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: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -2882.718089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.718089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.718089 (E_RNA) where: Base-Base interactions energy: -1997.678 where: short stacking energy: -843.387 Base-Backbone interact. energy: -3.570 local terms energy: -881.469774 where: bonds (distance) C4'-P energy: -171.470 bonds (distance) P-C4' energy: -142.852 flat angles C4'-P-C4' energy: -187.085 flat angles P-C4'-P energy: -120.467 tors. eta vs tors. theta energy: -259.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2815.759183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.759183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.759183 (E_RNA) where: Base-Base interactions energy: -1972.851 where: short stacking energy: -842.644 Base-Backbone interact. energy: -3.019 local terms energy: -839.889272 where: bonds (distance) C4'-P energy: -137.292 bonds (distance) P-C4' energy: -161.701 flat angles C4'-P-C4' energy: -185.505 flat angles P-C4'-P energy: -118.568 tors. eta vs tors. theta energy: -236.823 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: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2727.434281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.434281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.434281 (E_RNA) where: Base-Base interactions energy: -1920.720 where: short stacking energy: -815.223 Base-Backbone interact. energy: 6.290 local terms energy: -813.003839 where: bonds (distance) C4'-P energy: -151.472 bonds (distance) P-C4' energy: -146.040 flat angles C4'-P-C4' energy: -176.009 flat angles P-C4'-P energy: -111.708 tors. eta vs tors. theta energy: -227.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2582.558482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.558482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.558482 (E_RNA) where: Base-Base interactions energy: -1818.528 where: short stacking energy: -754.706 Base-Backbone interact. energy: -4.316 local terms energy: -759.713722 where: bonds (distance) C4'-P energy: -128.026 bonds (distance) P-C4' energy: -161.889 flat angles C4'-P-C4' energy: -170.414 flat angles P-C4'-P energy: -109.749 tors. eta vs tors. theta energy: -189.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2297.050308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.050308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.050308 (E_RNA) where: Base-Base interactions energy: -1563.084 where: short stacking energy: -695.894 Base-Backbone interact. energy: 6.868 local terms energy: -740.834186 where: bonds (distance) C4'-P energy: -159.530 bonds (distance) P-C4' energy: -136.031 flat angles C4'-P-C4' energy: -162.256 flat angles P-C4'-P energy: -97.889 tors. eta vs tors. theta energy: -185.129 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: 478 Temperature: 1.250000 Total energy: -1989.755921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.755921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.755921 (E_RNA) where: Base-Base interactions energy: -1344.995 where: short stacking energy: -603.425 Base-Backbone interact. energy: -2.103 local terms energy: -642.657051 where: bonds (distance) C4'-P energy: -140.955 bonds (distance) P-C4' energy: -114.739 flat angles C4'-P-C4' energy: -161.943 flat angles P-C4'-P energy: -74.899 tors. eta vs tors. theta energy: -150.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1741.949172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.949172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.949172 (E_RNA) where: Base-Base interactions energy: -1077.970 where: short stacking energy: -504.509 Base-Backbone interact. energy: -5.510 local terms energy: -658.468865 where: bonds (distance) C4'-P energy: -132.762 bonds (distance) P-C4' energy: -158.477 flat angles C4'-P-C4' energy: -144.893 flat angles P-C4'-P energy: -91.322 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: 9 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1235.448359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.448359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.448359 (E_RNA) where: Base-Base interactions energy: -762.765 where: short stacking energy: -377.996 Base-Backbone interact. energy: -0.508 local terms energy: -472.174593 where: bonds (distance) C4'-P energy: -106.917 bonds (distance) P-C4' energy: -135.335 flat angles C4'-P-C4' energy: -111.976 flat angles P-C4'-P energy: -73.855 tors. eta vs tors. theta energy: -44.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3127.422623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.422623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.422623 (E_RNA) where: Base-Base interactions energy: -2179.107 where: short stacking energy: -946.694 Base-Backbone interact. energy: -2.517 local terms energy: -945.798763 where: bonds (distance) C4'-P energy: -172.581 bonds (distance) P-C4' energy: -171.890 flat angles C4'-P-C4' energy: -199.244 flat angles P-C4'-P energy: -135.838 tors. eta vs tors. theta energy: -266.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -2981.557837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.557837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.557837 (E_RNA) where: Base-Base interactions energy: -2100.208 where: short stacking energy: -908.846 Base-Backbone interact. energy: -2.967 local terms energy: -878.382653 where: bonds (distance) C4'-P energy: -156.322 bonds (distance) P-C4' energy: -152.132 flat angles C4'-P-C4' energy: -185.726 flat angles P-C4'-P energy: -119.690 tors. eta vs tors. theta energy: -264.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2940.872277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.872277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.872277 (E_RNA) where: Base-Base interactions energy: -2035.399 where: short stacking energy: -876.970 Base-Backbone interact. energy: -0.876 local terms energy: -904.597944 where: bonds (distance) C4'-P energy: -166.773 bonds (distance) P-C4' energy: -161.781 flat angles C4'-P-C4' energy: -185.621 flat angles P-C4'-P energy: -139.925 tors. eta vs tors. theta energy: -250.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2804.937530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.937530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.937530 (E_RNA) where: Base-Base interactions energy: -1943.798 where: short stacking energy: -832.799 Base-Backbone interact. energy: -1.690 local terms energy: -859.449240 where: bonds (distance) C4'-P energy: -150.492 bonds (distance) P-C4' energy: -164.617 flat angles C4'-P-C4' energy: -188.274 flat angles P-C4'-P energy: -111.957 tors. eta vs tors. theta energy: -244.109 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: 5, replica: 8 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2738.653402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.653402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.653402 (E_RNA) where: Base-Base interactions energy: -1941.544 where: short stacking energy: -858.322 Base-Backbone interact. energy: -2.647 local terms energy: -794.462858 where: bonds (distance) C4'-P energy: -124.928 bonds (distance) P-C4' energy: -140.512 flat angles C4'-P-C4' energy: -178.913 flat angles P-C4'-P energy: -106.363 tors. eta vs tors. theta energy: -243.747 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: 6, replica: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2619.345080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.345080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.345080 (E_RNA) where: Base-Base interactions energy: -1864.210 where: short stacking energy: -807.558 Base-Backbone interact. energy: 4.522 local terms energy: -759.657658 where: bonds (distance) C4'-P energy: -129.609 bonds (distance) P-C4' energy: -144.587 flat angles C4'-P-C4' energy: -160.644 flat angles P-C4'-P energy: -109.191 tors. eta vs tors. theta energy: -215.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2253.101687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.101687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.101687 (E_RNA) where: Base-Base interactions energy: -1564.216 where: short stacking energy: -658.199 Base-Backbone interact. energy: -1.976 local terms energy: -686.909567 where: bonds (distance) C4'-P energy: -130.761 bonds (distance) P-C4' energy: -141.333 flat angles C4'-P-C4' energy: -149.790 flat angles P-C4'-P energy: -102.053 tors. eta vs tors. theta energy: -162.972 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: 1 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1986.430298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.430298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.430298 (E_RNA) where: Base-Base interactions energy: -1330.010 where: short stacking energy: -589.507 Base-Backbone interact. energy: -3.048 local terms energy: -653.372303 where: bonds (distance) C4'-P energy: -135.822 bonds (distance) P-C4' energy: -134.283 flat angles C4'-P-C4' energy: -154.457 flat angles P-C4'-P energy: -98.234 tors. eta vs tors. theta energy: -130.575 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: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1684.741781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.741781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.741781 (E_RNA) where: Base-Base interactions energy: -1096.931 where: short stacking energy: -494.885 Base-Backbone interact. energy: -0.516 local terms energy: -587.294791 where: bonds (distance) C4'-P energy: -138.592 bonds (distance) P-C4' energy: -135.743 flat angles C4'-P-C4' energy: -138.466 flat angles P-C4'-P energy: -78.993 tors. eta vs tors. theta energy: -95.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1178.093467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.093467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.093467 (E_RNA) where: Base-Base interactions energy: -656.992 where: short stacking energy: -324.083 Base-Backbone interact. energy: 3.098 local terms energy: -524.199104 where: bonds (distance) C4'-P energy: -124.792 bonds (distance) P-C4' energy: -141.209 flat angles C4'-P-C4' energy: -129.092 flat angles P-C4'-P energy: -84.235 tors. eta vs tors. theta energy: -44.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3151.540164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.540164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.540164 (E_RNA) where: Base-Base interactions energy: -2214.465 where: short stacking energy: -944.599 Base-Backbone interact. energy: -0.073 local terms energy: -937.003029 where: bonds (distance) C4'-P energy: -168.723 bonds (distance) P-C4' energy: -178.698 flat angles C4'-P-C4' energy: -196.634 flat angles P-C4'-P energy: -127.494 tors. eta vs tors. theta energy: -265.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -2980.168412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.168412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.168412 (E_RNA) where: Base-Base interactions energy: -2113.224 where: short stacking energy: -914.553 Base-Backbone interact. energy: 0.317 local terms energy: -867.260670 where: bonds (distance) C4'-P energy: -152.634 bonds (distance) P-C4' energy: -136.733 flat angles C4'-P-C4' energy: -191.938 flat angles P-C4'-P energy: -126.290 tors. eta vs tors. theta energy: -259.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2969.178377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.178377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.178377 (E_RNA) where: Base-Base interactions energy: -2038.270 where: short stacking energy: -868.686 Base-Backbone interact. energy: -3.240 local terms energy: -927.668582 where: bonds (distance) C4'-P energy: -171.278 bonds (distance) P-C4' energy: -166.675 flat angles C4'-P-C4' energy: -183.273 flat angles P-C4'-P energy: -131.540 tors. eta vs tors. theta energy: -274.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2803.101406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.101406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.101406 (E_RNA) where: Base-Base interactions energy: -1924.820 where: short stacking energy: -863.819 Base-Backbone interact. energy: -3.517 local terms energy: -874.765204 where: bonds (distance) C4'-P energy: -155.973 bonds (distance) P-C4' energy: -148.045 flat angles C4'-P-C4' energy: -193.193 flat angles P-C4'-P energy: -122.887 tors. eta vs tors. theta energy: -254.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2709.574699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.574699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.574699 (E_RNA) where: Base-Base interactions energy: -1891.711 where: short stacking energy: -808.196 Base-Backbone interact. energy: -1.259 local terms energy: -816.604800 where: bonds (distance) C4'-P energy: -138.821 bonds (distance) P-C4' energy: -142.542 flat angles C4'-P-C4' energy: -170.070 flat angles P-C4'-P energy: -120.843 tors. eta vs tors. theta energy: -244.329 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: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2546.826393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.826393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.826393 (E_RNA) where: Base-Base interactions energy: -1803.446 where: short stacking energy: -758.552 Base-Backbone interact. energy: -3.222 local terms energy: -740.159029 where: bonds (distance) C4'-P energy: -154.329 bonds (distance) P-C4' energy: -148.870 flat angles C4'-P-C4' energy: -144.233 flat angles P-C4'-P energy: -85.953 tors. eta vs tors. theta energy: -206.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2203.242925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.242925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.242925 (E_RNA) where: Base-Base interactions energy: -1487.425 where: short stacking energy: -652.348 Base-Backbone interact. energy: 0.288 local terms energy: -716.105564 where: bonds (distance) C4'-P energy: -147.201 bonds (distance) P-C4' energy: -130.825 flat angles C4'-P-C4' energy: -170.669 flat angles P-C4'-P energy: -107.511 tors. eta vs tors. theta energy: -159.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1994.900724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.900724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.900724 (E_RNA) where: Base-Base interactions energy: -1363.457 where: short stacking energy: -596.568 Base-Backbone interact. energy: 1.451 local terms energy: -632.895347 where: bonds (distance) C4'-P energy: -129.053 bonds (distance) P-C4' energy: -139.352 flat angles C4'-P-C4' energy: -149.305 flat angles P-C4'-P energy: -80.085 tors. eta vs tors. theta energy: -135.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1621.665501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.665501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.665501 (E_RNA) where: Base-Base interactions energy: -1056.551 where: short stacking energy: -468.385 Base-Backbone interact. energy: 1.943 local terms energy: -567.057566 where: bonds (distance) C4'-P energy: -141.367 bonds (distance) P-C4' energy: -122.684 flat angles C4'-P-C4' energy: -130.147 flat angles P-C4'-P energy: -84.449 tors. eta vs tors. theta energy: -88.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1274.675169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.675169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.675169 (E_RNA) where: Base-Base interactions energy: -773.858 where: short stacking energy: -387.311 Base-Backbone interact. energy: 0.929 local terms energy: -501.746801 where: bonds (distance) C4'-P energy: -127.855 bonds (distance) P-C4' energy: -117.653 flat angles C4'-P-C4' energy: -129.527 flat angles P-C4'-P energy: -94.479 tors. eta vs tors. theta energy: -32.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3129.234161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.234161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.234161 (E_RNA) where: Base-Base interactions energy: -2215.312 where: short stacking energy: -930.674 Base-Backbone interact. energy: 5.234 local terms energy: -919.156659 where: bonds (distance) C4'-P energy: -168.700 bonds (distance) P-C4' energy: -166.873 flat angles C4'-P-C4' energy: -184.300 flat angles P-C4'-P energy: -125.538 tors. eta vs tors. theta energy: -273.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -3014.065683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.065683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.065683 (E_RNA) where: Base-Base interactions energy: -2084.797 where: short stacking energy: -884.451 Base-Backbone interact. energy: -0.412 local terms energy: -928.856758 where: bonds (distance) C4'-P energy: -156.988 bonds (distance) P-C4' energy: -161.747 flat angles C4'-P-C4' energy: -201.555 flat angles P-C4'-P energy: -134.268 tors. eta vs tors. theta energy: -274.298 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: 4 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -2883.844130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.844130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.844130 (E_RNA) where: Base-Base interactions energy: -2022.087 where: short stacking energy: -879.258 Base-Backbone interact. energy: 1.028 local terms energy: -862.785322 where: bonds (distance) C4'-P energy: -137.615 bonds (distance) P-C4' energy: -163.860 flat angles C4'-P-C4' energy: -191.121 flat angles P-C4'-P energy: -124.650 tors. eta vs tors. theta energy: -245.539 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: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2813.443637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.443637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.443637 (E_RNA) where: Base-Base interactions energy: -1945.686 where: short stacking energy: -849.739 Base-Backbone interact. energy: -5.112 local terms energy: -862.645816 where: bonds (distance) C4'-P energy: -133.684 bonds (distance) P-C4' energy: -161.673 flat angles C4'-P-C4' energy: -189.086 flat angles P-C4'-P energy: -134.820 tors. eta vs tors. theta energy: -243.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2702.029173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.029173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.029173 (E_RNA) where: Base-Base interactions energy: -1872.893 where: short stacking energy: -816.222 Base-Backbone interact. energy: -3.780 local terms energy: -825.356403 where: bonds (distance) C4'-P energy: -132.620 bonds (distance) P-C4' energy: -158.757 flat angles C4'-P-C4' energy: -171.126 flat angles P-C4'-P energy: -122.724 tors. eta vs tors. theta energy: -240.129 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: 6, replica: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2563.679020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.679020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.679020 (E_RNA) where: Base-Base interactions energy: -1794.662 where: short stacking energy: -787.855 Base-Backbone interact. energy: -3.454 local terms energy: -765.563396 where: bonds (distance) C4'-P energy: -137.905 bonds (distance) P-C4' energy: -146.043 flat angles C4'-P-C4' energy: -171.343 flat angles P-C4'-P energy: -101.175 tors. eta vs tors. theta energy: -209.098 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: 2 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2228.293551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.293551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.293551 (E_RNA) where: Base-Base interactions energy: -1556.174 where: short stacking energy: -661.162 Base-Backbone interact. energy: -0.730 local terms energy: -671.389557 where: bonds (distance) C4'-P energy: -141.220 bonds (distance) P-C4' energy: -119.622 flat angles C4'-P-C4' energy: -142.707 flat angles P-C4'-P energy: -96.448 tors. eta vs tors. theta energy: -171.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -2022.058422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.058422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.058422 (E_RNA) where: Base-Base interactions energy: -1385.942 where: short stacking energy: -596.109 Base-Backbone interact. energy: 2.055 local terms energy: -638.170808 where: bonds (distance) C4'-P energy: -114.556 bonds (distance) P-C4' energy: -146.537 flat angles C4'-P-C4' energy: -137.921 flat angles P-C4'-P energy: -97.342 tors. eta vs tors. theta energy: -141.816 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: 10 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1574.333083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.333083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.333083 (E_RNA) where: Base-Base interactions energy: -990.004 where: short stacking energy: -439.517 Base-Backbone interact. energy: 0.864 local terms energy: -585.193157 where: bonds (distance) C4'-P energy: -131.578 bonds (distance) P-C4' energy: -149.636 flat angles C4'-P-C4' energy: -138.926 flat angles P-C4'-P energy: -81.928 tors. eta vs tors. theta energy: -83.126 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: 9 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1110.786069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.786069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.786069 (E_RNA) where: Base-Base interactions energy: -649.954 where: short stacking energy: -338.298 Base-Backbone interact. energy: 5.786 local terms energy: -466.618050 where: bonds (distance) C4'-P energy: -128.532 bonds (distance) P-C4' energy: -124.626 flat angles C4'-P-C4' energy: -129.098 flat angles P-C4'-P energy: -57.248 tors. eta vs tors. theta energy: -27.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3119.508470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.508470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.508470 (E_RNA) where: Base-Base interactions energy: -2189.552 where: short stacking energy: -920.055 Base-Backbone interact. energy: -4.574 local terms energy: -925.381666 where: bonds (distance) C4'-P energy: -162.632 bonds (distance) P-C4' energy: -161.451 flat angles C4'-P-C4' energy: -196.155 flat angles P-C4'-P energy: -137.485 tors. eta vs tors. theta energy: -267.659 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: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -3052.060186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.060186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.060186 (E_RNA) where: Base-Base interactions energy: -2135.312 where: short stacking energy: -923.106 Base-Backbone interact. energy: -8.394 local terms energy: -908.354318 where: bonds (distance) C4'-P energy: -152.114 bonds (distance) P-C4' energy: -157.767 flat angles C4'-P-C4' energy: -192.256 flat angles P-C4'-P energy: -124.469 tors. eta vs tors. theta energy: -281.748 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: 4 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2902.175222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.175222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.175222 (E_RNA) where: Base-Base interactions energy: -2014.950 where: short stacking energy: -863.443 Base-Backbone interact. energy: -4.533 local terms energy: -882.692387 where: bonds (distance) C4'-P energy: -149.595 bonds (distance) P-C4' energy: -171.062 flat angles C4'-P-C4' energy: -194.198 flat angles P-C4'-P energy: -126.327 tors. eta vs tors. theta energy: -241.510 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: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2811.645745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.645745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.645745 (E_RNA) where: Base-Base interactions energy: -1977.952 where: short stacking energy: -844.842 Base-Backbone interact. energy: -3.487 local terms energy: -830.205959 where: bonds (distance) C4'-P energy: -138.562 bonds (distance) P-C4' energy: -136.786 flat angles C4'-P-C4' energy: -181.985 flat angles P-C4'-P energy: -127.501 tors. eta vs tors. theta energy: -245.371 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: 6 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2757.901645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.901645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.901645 (E_RNA) where: Base-Base interactions energy: -1954.879 where: short stacking energy: -830.527 Base-Backbone interact. energy: -7.903 local terms energy: -795.119684 where: bonds (distance) C4'-P energy: -134.499 bonds (distance) P-C4' energy: -134.847 flat angles C4'-P-C4' energy: -191.276 flat angles P-C4'-P energy: -106.267 tors. eta vs tors. theta energy: -228.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2542.845337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.845337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.845337 (E_RNA) where: Base-Base interactions energy: -1773.223 where: short stacking energy: -734.973 Base-Backbone interact. energy: -7.634 local terms energy: -761.988580 where: bonds (distance) C4'-P energy: -141.349 bonds (distance) P-C4' energy: -146.103 flat angles C4'-P-C4' energy: -168.242 flat angles P-C4'-P energy: -99.235 tors. eta vs tors. theta energy: -207.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2224.284160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.284160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.284160 (E_RNA) where: Base-Base interactions energy: -1523.683 where: short stacking energy: -659.117 Base-Backbone interact. energy: -3.495 local terms energy: -697.106151 where: bonds (distance) C4'-P energy: -138.694 bonds (distance) P-C4' energy: -141.831 flat angles C4'-P-C4' energy: -148.179 flat angles P-C4'-P energy: -109.204 tors. eta vs tors. theta energy: -159.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -2093.309028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.309028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.309028 (E_RNA) where: Base-Base interactions energy: -1433.888 where: short stacking energy: -637.800 Base-Backbone interact. energy: 11.027 local terms energy: -670.448301 where: bonds (distance) C4'-P energy: -124.745 bonds (distance) P-C4' energy: -137.963 flat angles C4'-P-C4' energy: -144.191 flat angles P-C4'-P energy: -94.163 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: 9, replica: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1597.361916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.361916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.361916 (E_RNA) where: Base-Base interactions energy: -1033.202 where: short stacking energy: -465.231 Base-Backbone interact. energy: -1.572 local terms energy: -562.588002 where: bonds (distance) C4'-P energy: -142.829 bonds (distance) P-C4' energy: -119.190 flat angles C4'-P-C4' energy: -130.151 flat angles P-C4'-P energy: -76.292 tors. eta vs tors. theta energy: -94.126 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: 9 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1143.407623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.407623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.407623 (E_RNA) where: Base-Base interactions energy: -662.781 where: short stacking energy: -318.239 Base-Backbone interact. energy: -0.847 local terms energy: -479.779214 where: bonds (distance) C4'-P energy: -108.678 bonds (distance) P-C4' energy: -126.321 flat angles C4'-P-C4' energy: -143.717 flat angles P-C4'-P energy: -78.971 tors. eta vs tors. theta energy: -22.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3114.217954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.217954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.217954 (E_RNA) where: Base-Base interactions energy: -2189.691 where: short stacking energy: -920.247 Base-Backbone interact. energy: 2.220 local terms energy: -926.746672 where: bonds (distance) C4'-P energy: -173.763 bonds (distance) P-C4' energy: -160.477 flat angles C4'-P-C4' energy: -188.675 flat angles P-C4'-P energy: -134.890 tors. eta vs tors. theta energy: -268.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -3037.594235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.594235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.594235 (E_RNA) where: Base-Base interactions energy: -2116.564 where: short stacking energy: -913.618 Base-Backbone interact. energy: 6.797 local terms energy: -927.827691 where: bonds (distance) C4'-P energy: -153.266 bonds (distance) P-C4' energy: -172.450 flat angles C4'-P-C4' energy: -181.892 flat angles P-C4'-P energy: -141.895 tors. eta vs tors. theta energy: -278.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2884.993527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.993527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.993527 (E_RNA) where: Base-Base interactions energy: -2010.972 where: short stacking energy: -862.009 Base-Backbone interact. energy: -0.967 local terms energy: -873.054552 where: bonds (distance) C4'-P energy: -144.792 bonds (distance) P-C4' energy: -152.311 flat angles C4'-P-C4' energy: -184.288 flat angles P-C4'-P energy: -123.808 tors. eta vs tors. theta energy: -267.855 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: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2835.386322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.386322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.386322 (E_RNA) where: Base-Base interactions energy: -1970.741 where: short stacking energy: -837.514 Base-Backbone interact. energy: -2.691 local terms energy: -861.954165 where: bonds (distance) C4'-P energy: -155.197 bonds (distance) P-C4' energy: -151.746 flat angles C4'-P-C4' energy: -191.317 flat angles P-C4'-P energy: -120.619 tors. eta vs tors. theta energy: -243.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2789.541246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.541246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.541246 (E_RNA) where: Base-Base interactions energy: -1961.554 where: short stacking energy: -839.711 Base-Backbone interact. energy: 4.641 local terms energy: -832.627621 where: bonds (distance) C4'-P energy: -133.002 bonds (distance) P-C4' energy: -161.947 flat angles C4'-P-C4' energy: -183.713 flat angles P-C4'-P energy: -104.976 tors. eta vs tors. theta energy: -248.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2555.879477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.879477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.879477 (E_RNA) where: Base-Base interactions energy: -1756.047 where: short stacking energy: -743.471 Base-Backbone interact. energy: -3.828 local terms energy: -796.004972 where: bonds (distance) C4'-P energy: -146.605 bonds (distance) P-C4' energy: -140.922 flat angles C4'-P-C4' energy: -185.004 flat angles P-C4'-P energy: -108.633 tors. eta vs tors. theta energy: -214.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2238.309231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.309231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.309231 (E_RNA) where: Base-Base interactions energy: -1526.098 where: short stacking energy: -669.301 Base-Backbone interact. energy: -2.174 local terms energy: -710.037182 where: bonds (distance) C4'-P energy: -128.971 bonds (distance) P-C4' energy: -146.209 flat angles C4'-P-C4' energy: -152.928 flat angles P-C4'-P energy: -93.225 tors. eta vs tors. theta energy: -188.704 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: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -2081.860743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.860743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.860743 (E_RNA) where: Base-Base interactions energy: -1425.303 where: short stacking energy: -631.858 Base-Backbone interact. energy: -1.991 local terms energy: -654.566740 where: bonds (distance) C4'-P energy: -122.732 bonds (distance) P-C4' energy: -142.991 flat angles C4'-P-C4' energy: -136.226 flat angles P-C4'-P energy: -81.151 tors. eta vs tors. theta energy: -171.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1623.747571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.747571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.747571 (E_RNA) where: Base-Base interactions energy: -1089.072 where: short stacking energy: -508.468 Base-Backbone interact. energy: 0.175 local terms energy: -534.850346 where: bonds (distance) C4'-P energy: -98.251 bonds (distance) P-C4' energy: -124.214 flat angles C4'-P-C4' energy: -128.655 flat angles P-C4'-P energy: -87.066 tors. eta vs tors. theta energy: -96.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1131.667454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.667454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.667454 (E_RNA) where: Base-Base interactions energy: -660.737 where: short stacking energy: -362.190 Base-Backbone interact. energy: 8.274 local terms energy: -479.204636 where: bonds (distance) C4'-P energy: -140.376 bonds (distance) P-C4' energy: -145.057 flat angles C4'-P-C4' energy: -104.683 flat angles P-C4'-P energy: -54.694 tors. eta vs tors. theta energy: -34.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3136.728108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.728108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.728108 (E_RNA) where: Base-Base interactions energy: -2216.583 where: short stacking energy: -928.268 Base-Backbone interact. energy: -6.625 local terms energy: -913.519644 where: bonds (distance) C4'-P energy: -149.599 bonds (distance) P-C4' energy: -179.942 flat angles C4'-P-C4' energy: -197.339 flat angles P-C4'-P energy: -122.814 tors. eta vs tors. theta energy: -263.826 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: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -3026.664468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.664468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.664468 (E_RNA) where: Base-Base interactions energy: -2089.672 where: short stacking energy: -928.050 Base-Backbone interact. energy: -1.209 local terms energy: -935.782995 where: bonds (distance) C4'-P energy: -158.571 bonds (distance) P-C4' energy: -184.098 flat angles C4'-P-C4' energy: -190.875 flat angles P-C4'-P energy: -126.638 tors. eta vs tors. theta energy: -275.601 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: 3, replica: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2917.464605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.464605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.464605 (E_RNA) where: Base-Base interactions energy: -2037.319 where: short stacking energy: -893.758 Base-Backbone interact. energy: -0.894 local terms energy: -879.251616 where: bonds (distance) C4'-P energy: -170.521 bonds (distance) P-C4' energy: -148.048 flat angles C4'-P-C4' energy: -184.576 flat angles P-C4'-P energy: -123.849 tors. eta vs tors. theta energy: -252.259 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: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2818.185230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.185230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.185230 (E_RNA) where: Base-Base interactions energy: -1949.289 where: short stacking energy: -838.116 Base-Backbone interact. energy: -1.997 local terms energy: -866.899776 where: bonds (distance) C4'-P energy: -151.299 bonds (distance) P-C4' energy: -158.837 flat angles C4'-P-C4' energy: -186.506 flat angles P-C4'-P energy: -126.706 tors. eta vs tors. theta energy: -243.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2708.455178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.455178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.455178 (E_RNA) where: Base-Base interactions energy: -1907.876 where: short stacking energy: -828.974 Base-Backbone interact. energy: 1.179 local terms energy: -801.757908 where: bonds (distance) C4'-P energy: -135.022 bonds (distance) P-C4' energy: -141.197 flat angles C4'-P-C4' energy: -181.546 flat angles P-C4'-P energy: -107.850 tors. eta vs tors. theta energy: -236.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2491.384218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.384218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.384218 (E_RNA) where: Base-Base interactions energy: -1747.013 where: short stacking energy: -743.183 Base-Backbone interact. energy: -0.962 local terms energy: -743.409393 where: bonds (distance) C4'-P energy: -135.975 bonds (distance) P-C4' energy: -150.786 flat angles C4'-P-C4' energy: -145.464 flat angles P-C4'-P energy: -106.390 tors. eta vs tors. theta energy: -204.794 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: 2 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2205.463350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.463350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.463350 (E_RNA) where: Base-Base interactions energy: -1502.366 where: short stacking energy: -662.371 Base-Backbone interact. energy: -0.351 local terms energy: -702.745938 where: bonds (distance) C4'-P energy: -120.009 bonds (distance) P-C4' energy: -158.152 flat angles C4'-P-C4' energy: -138.001 flat angles P-C4'-P energy: -119.585 tors. eta vs tors. theta energy: -166.999 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: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -2083.593741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.593741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.593741 (E_RNA) where: Base-Base interactions energy: -1403.150 where: short stacking energy: -637.013 Base-Backbone interact. energy: 1.982 local terms energy: -682.425571 where: bonds (distance) C4'-P energy: -125.903 bonds (distance) P-C4' energy: -143.248 flat angles C4'-P-C4' energy: -152.877 flat angles P-C4'-P energy: -90.387 tors. eta vs tors. theta energy: -170.012 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: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1633.204329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.204329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.204329 (E_RNA) where: Base-Base interactions energy: -1032.340 where: short stacking energy: -466.367 Base-Backbone interact. energy: 1.395 local terms energy: -602.259536 where: bonds (distance) C4'-P energy: -153.544 bonds (distance) P-C4' energy: -145.446 flat angles C4'-P-C4' energy: -134.490 flat angles P-C4'-P energy: -84.497 tors. eta vs tors. theta energy: -84.283 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: 9 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1040.170529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.170529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.170529 (E_RNA) where: Base-Base interactions energy: -587.599 where: short stacking energy: -296.329 Base-Backbone interact. energy: 0.465 local terms energy: -453.036007 where: bonds (distance) C4'-P energy: -122.794 bonds (distance) P-C4' energy: -143.066 flat angles C4'-P-C4' energy: -106.928 flat angles P-C4'-P energy: -73.448 tors. eta vs tors. theta energy: -6.800 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: 3 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3141.929504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.929504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.929504 (E_RNA) where: Base-Base interactions energy: -2234.670 where: short stacking energy: -934.179 Base-Backbone interact. energy: -3.005 local terms energy: -904.254771 where: bonds (distance) C4'-P energy: -164.656 bonds (distance) P-C4' energy: -156.851 flat angles C4'-P-C4' energy: -196.191 flat angles P-C4'-P energy: -127.191 tors. eta vs tors. theta energy: -259.367 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: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -3030.875010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.875010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.875010 (E_RNA) where: Base-Base interactions energy: -2096.128 where: short stacking energy: -927.824 Base-Backbone interact. energy: -2.753 local terms energy: -931.993742 where: bonds (distance) C4'-P energy: -165.854 bonds (distance) P-C4' energy: -151.077 flat angles C4'-P-C4' energy: -188.144 flat angles P-C4'-P energy: -147.158 tors. eta vs tors. theta energy: -279.759 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: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2886.507983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.507983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.507983 (E_RNA) where: Base-Base interactions energy: -2014.388 where: short stacking energy: -865.298 Base-Backbone interact. energy: -4.030 local terms energy: -868.089638 where: bonds (distance) C4'-P energy: -158.178 bonds (distance) P-C4' energy: -149.670 flat angles C4'-P-C4' energy: -180.513 flat angles P-C4'-P energy: -122.999 tors. eta vs tors. theta energy: -256.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2796.160923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.160923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.160923 (E_RNA) where: Base-Base interactions energy: -1981.072 where: short stacking energy: -854.009 Base-Backbone interact. energy: 0.262 local terms energy: -815.350590 where: bonds (distance) C4'-P energy: -155.155 bonds (distance) P-C4' energy: -129.935 flat angles C4'-P-C4' energy: -183.251 flat angles P-C4'-P energy: -114.860 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: 5, replica: 6 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2777.707317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.707317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.707317 (E_RNA) where: Base-Base interactions energy: -1937.800 where: short stacking energy: -829.314 Base-Backbone interact. energy: 3.719 local terms energy: -843.626370 where: bonds (distance) C4'-P energy: -151.407 bonds (distance) P-C4' energy: -158.428 flat angles C4'-P-C4' energy: -181.148 flat angles P-C4'-P energy: -118.420 tors. eta vs tors. theta energy: -234.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2525.730423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.730423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.730423 (E_RNA) where: Base-Base interactions energy: -1744.886 where: short stacking energy: -761.666 Base-Backbone interact. energy: -5.845 local terms energy: -774.999126 where: bonds (distance) C4'-P energy: -162.194 bonds (distance) P-C4' energy: -135.431 flat angles C4'-P-C4' energy: -173.767 flat angles P-C4'-P energy: -100.215 tors. eta vs tors. theta energy: -203.391 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: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2235.065160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.065160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.065160 (E_RNA) where: Base-Base interactions energy: -1518.047 where: short stacking energy: -690.155 Base-Backbone interact. energy: -2.595 local terms energy: -714.422848 where: bonds (distance) C4'-P energy: -130.059 bonds (distance) P-C4' energy: -146.370 flat angles C4'-P-C4' energy: -161.354 flat angles P-C4'-P energy: -101.544 tors. eta vs tors. theta energy: -175.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -2056.105555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.105555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.105555 (E_RNA) where: Base-Base interactions energy: -1408.536 where: short stacking energy: -605.251 Base-Backbone interact. energy: 4.829 local terms energy: -652.398161 where: bonds (distance) C4'-P energy: -111.654 bonds (distance) P-C4' energy: -150.541 flat angles C4'-P-C4' energy: -143.442 flat angles P-C4'-P energy: -100.574 tors. eta vs tors. theta energy: -146.188 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: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1619.952699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.952699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.952699 (E_RNA) where: Base-Base interactions energy: -1036.166 where: short stacking energy: -455.498 Base-Backbone interact. energy: 0.742 local terms energy: -584.528453 where: bonds (distance) C4'-P energy: -130.435 bonds (distance) P-C4' energy: -141.939 flat angles C4'-P-C4' energy: -124.427 flat angles P-C4'-P energy: -103.748 tors. eta vs tors. theta energy: -83.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1184.222780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.222780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.222780 (E_RNA) where: Base-Base interactions energy: -662.949 where: short stacking energy: -359.097 Base-Backbone interact. energy: -2.219 local terms energy: -519.054999 where: bonds (distance) C4'-P energy: -122.027 bonds (distance) P-C4' energy: -137.309 flat angles C4'-P-C4' energy: -140.276 flat angles P-C4'-P energy: -67.676 tors. eta vs tors. theta energy: -51.766 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: 3 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3143.748732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.748732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.748732 (E_RNA) where: Base-Base interactions energy: -2241.455 where: short stacking energy: -915.335 Base-Backbone interact. energy: -1.525 local terms energy: -900.768544 where: bonds (distance) C4'-P energy: -161.998 bonds (distance) P-C4' energy: -162.273 flat angles C4'-P-C4' energy: -193.763 flat angles P-C4'-P energy: -125.753 tors. eta vs tors. theta energy: -256.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -3043.933134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.933134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.933134 (E_RNA) where: Base-Base interactions energy: -2136.420 where: short stacking energy: -945.322 Base-Backbone interact. energy: 0.023 local terms energy: -907.536222 where: bonds (distance) C4'-P energy: -141.447 bonds (distance) P-C4' energy: -138.312 flat angles C4'-P-C4' energy: -198.356 flat angles P-C4'-P energy: -138.531 tors. eta vs tors. theta energy: -290.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2882.789789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.789789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.789789 (E_RNA) where: Base-Base interactions energy: -2001.853 where: short stacking energy: -835.856 Base-Backbone interact. energy: -1.456 local terms energy: -879.481439 where: bonds (distance) C4'-P energy: -146.643 bonds (distance) P-C4' energy: -150.467 flat angles C4'-P-C4' energy: -199.454 flat angles P-C4'-P energy: -127.681 tors. eta vs tors. theta energy: -255.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2787.134532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.134532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.134532 (E_RNA) where: Base-Base interactions energy: -1956.848 where: short stacking energy: -841.436 Base-Backbone interact. energy: -2.261 local terms energy: -828.024969 where: bonds (distance) C4'-P energy: -145.010 bonds (distance) P-C4' energy: -151.726 flat angles C4'-P-C4' energy: -188.838 flat angles P-C4'-P energy: -110.560 tors. eta vs tors. theta energy: -231.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2719.484969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.484969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.484969 (E_RNA) where: Base-Base interactions energy: -1898.206 where: short stacking energy: -830.445 Base-Backbone interact. energy: 8.667 local terms energy: -829.945249 where: bonds (distance) C4'-P energy: -161.751 bonds (distance) P-C4' energy: -143.421 flat angles C4'-P-C4' energy: -162.958 flat angles P-C4'-P energy: -124.203 tors. eta vs tors. theta energy: -237.613 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: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2522.243576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.243576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.243576 (E_RNA) where: Base-Base interactions energy: -1746.777 where: short stacking energy: -753.154 Base-Backbone interact. energy: -4.744 local terms energy: -770.722073 where: bonds (distance) C4'-P energy: -132.002 bonds (distance) P-C4' energy: -149.543 flat angles C4'-P-C4' energy: -185.820 flat angles P-C4'-P energy: -101.633 tors. eta vs tors. theta energy: -201.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2180.029391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.029391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.029391 (E_RNA) where: Base-Base interactions energy: -1480.481 where: short stacking energy: -693.745 Base-Backbone interact. energy: -6.239 local terms energy: -693.309283 where: bonds (distance) C4'-P energy: -126.198 bonds (distance) P-C4' energy: -134.290 flat angles C4'-P-C4' energy: -160.963 flat angles P-C4'-P energy: -94.382 tors. eta vs tors. theta energy: -177.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -2131.394242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.394242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.394242 (E_RNA) where: Base-Base interactions energy: -1443.407 where: short stacking energy: -621.021 Base-Backbone interact. energy: 0.587 local terms energy: -688.574035 where: bonds (distance) C4'-P energy: -131.922 bonds (distance) P-C4' energy: -153.777 flat angles C4'-P-C4' energy: -142.210 flat angles P-C4'-P energy: -110.279 tors. eta vs tors. theta energy: -150.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1593.375002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.375002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.375002 (E_RNA) where: Base-Base interactions energy: -1046.944 where: short stacking energy: -457.349 Base-Backbone interact. energy: -1.255 local terms energy: -545.176198 where: bonds (distance) C4'-P energy: -118.410 bonds (distance) P-C4' energy: -154.222 flat angles C4'-P-C4' energy: -129.220 flat angles P-C4'-P energy: -75.142 tors. eta vs tors. theta energy: -68.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -1190.065356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.065356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.065356 (E_RNA) where: Base-Base interactions energy: -740.313 where: short stacking energy: -372.500 Base-Backbone interact. energy: -3.967 local terms energy: -445.785465 where: bonds (distance) C4'-P energy: -127.904 bonds (distance) P-C4' energy: -139.831 flat angles C4'-P-C4' energy: -100.835 flat angles P-C4'-P energy: -69.809 tors. eta vs tors. theta energy: -7.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3144.230291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.230291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.230291 (E_RNA) where: Base-Base interactions energy: -2201.290 where: short stacking energy: -886.702 Base-Backbone interact. energy: -2.903 local terms energy: -940.037710 where: bonds (distance) C4'-P energy: -183.335 bonds (distance) P-C4' energy: -165.532 flat angles C4'-P-C4' energy: -195.878 flat angles P-C4'-P energy: -136.040 tors. eta vs tors. theta energy: -259.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2997.117271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.117271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.117271 (E_RNA) where: Base-Base interactions energy: -2089.239 where: short stacking energy: -931.738 Base-Backbone interact. energy: -0.380 local terms energy: -907.498404 where: bonds (distance) C4'-P energy: -142.933 bonds (distance) P-C4' energy: -165.335 flat angles C4'-P-C4' energy: -195.446 flat angles P-C4'-P energy: -125.461 tors. eta vs tors. theta energy: -278.322 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: 4 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -2942.460215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.460215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.460215 (E_RNA) where: Base-Base interactions energy: -2077.790 where: short stacking energy: -876.610 Base-Backbone interact. energy: -1.373 local terms energy: -863.297215 where: bonds (distance) C4'-P energy: -127.422 bonds (distance) P-C4' energy: -159.909 flat angles C4'-P-C4' energy: -193.505 flat angles P-C4'-P energy: -124.461 tors. eta vs tors. theta energy: -258.000 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: 6 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2814.532366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.532366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.532366 (E_RNA) where: Base-Base interactions energy: -1967.137 where: short stacking energy: -860.523 Base-Backbone interact. energy: 0.075 local terms energy: -847.469862 where: bonds (distance) C4'-P energy: -137.054 bonds (distance) P-C4' energy: -162.689 flat angles C4'-P-C4' energy: -174.721 flat angles P-C4'-P energy: -137.687 tors. eta vs tors. theta energy: -235.320 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: 8 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2740.944664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.944664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.944664 (E_RNA) where: Base-Base interactions energy: -1910.438 where: short stacking energy: -832.041 Base-Backbone interact. energy: -0.888 local terms energy: -829.618880 where: bonds (distance) C4'-P energy: -142.541 bonds (distance) P-C4' energy: -120.988 flat angles C4'-P-C4' energy: -202.920 flat angles P-C4'-P energy: -121.877 tors. eta vs tors. theta energy: -241.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2616.209892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.209892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.209892 (E_RNA) where: Base-Base interactions energy: -1841.765 where: short stacking energy: -774.786 Base-Backbone interact. energy: 3.972 local terms energy: -778.417393 where: bonds (distance) C4'-P energy: -153.627 bonds (distance) P-C4' energy: -143.628 flat angles C4'-P-C4' energy: -167.465 flat angles P-C4'-P energy: -89.418 tors. eta vs tors. theta energy: -224.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2286.217264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.217264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.217264 (E_RNA) where: Base-Base interactions energy: -1571.990 where: short stacking energy: -737.446 Base-Backbone interact. energy: -2.793 local terms energy: -711.434754 where: bonds (distance) C4'-P energy: -126.726 bonds (distance) P-C4' energy: -132.104 flat angles C4'-P-C4' energy: -171.562 flat angles P-C4'-P energy: -94.335 tors. eta vs tors. theta energy: -186.708 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: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -2086.957281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.957281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.957281 (E_RNA) where: Base-Base interactions energy: -1402.608 where: short stacking energy: -617.467 Base-Backbone interact. energy: -0.928 local terms energy: -683.421195 where: bonds (distance) C4'-P energy: -120.241 bonds (distance) P-C4' energy: -147.657 flat angles C4'-P-C4' energy: -142.977 flat angles P-C4'-P energy: -116.659 tors. eta vs tors. theta energy: -155.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1604.341153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.341153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.341153 (E_RNA) where: Base-Base interactions energy: -1048.744 where: short stacking energy: -471.077 Base-Backbone interact. energy: -3.070 local terms energy: -552.527010 where: bonds (distance) C4'-P energy: -123.504 bonds (distance) P-C4' energy: -118.430 flat angles C4'-P-C4' energy: -148.677 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -86.571 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: 9 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -1133.758384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.758384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.758384 (E_RNA) where: Base-Base interactions energy: -660.149 where: short stacking energy: -324.533 Base-Backbone interact. energy: 3.193 local terms energy: -476.802104 where: bonds (distance) C4'-P energy: -120.369 bonds (distance) P-C4' energy: -144.370 flat angles C4'-P-C4' energy: -126.604 flat angles P-C4'-P energy: -78.124 tors. eta vs tors. theta energy: -7.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3150.271696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.271696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.271696 (E_RNA) where: Base-Base interactions energy: -2233.815 where: short stacking energy: -938.378 Base-Backbone interact. energy: -4.058 local terms energy: -912.398708 where: bonds (distance) C4'-P energy: -157.111 bonds (distance) P-C4' energy: -165.147 flat angles C4'-P-C4' energy: -193.128 flat angles P-C4'-P energy: -131.767 tors. eta vs tors. theta energy: -265.245 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: 5 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -3044.814741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.814741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.814741 (E_RNA) where: Base-Base interactions energy: -2107.916 where: short stacking energy: -937.822 Base-Backbone interact. energy: -6.185 local terms energy: -930.713724 where: bonds (distance) C4'-P energy: -151.536 bonds (distance) P-C4' energy: -175.798 flat angles C4'-P-C4' energy: -193.702 flat angles P-C4'-P energy: -127.159 tors. eta vs tors. theta energy: -282.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2946.441361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.441361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.441361 (E_RNA) where: Base-Base interactions energy: -2047.098 where: short stacking energy: -879.697 Base-Backbone interact. energy: -3.706 local terms energy: -895.637207 where: bonds (distance) C4'-P energy: -166.801 bonds (distance) P-C4' energy: -164.514 flat angles C4'-P-C4' energy: -186.120 flat angles P-C4'-P energy: -121.628 tors. eta vs tors. theta energy: -256.575 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: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2782.554264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.554264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.554264 (E_RNA) where: Base-Base interactions energy: -1957.444 where: short stacking energy: -825.767 Base-Backbone interact. energy: 2.663 local terms energy: -827.772911 where: bonds (distance) C4'-P energy: -143.567 bonds (distance) P-C4' energy: -168.786 flat angles C4'-P-C4' energy: -170.259 flat angles P-C4'-P energy: -116.993 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: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2721.338371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.338371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.338371 (E_RNA) where: Base-Base interactions energy: -1916.515 where: short stacking energy: -843.053 Base-Backbone interact. energy: -1.389 local terms energy: -803.433981 where: bonds (distance) C4'-P energy: -159.147 bonds (distance) P-C4' energy: -116.765 flat angles C4'-P-C4' energy: -166.283 flat angles P-C4'-P energy: -128.085 tors. eta vs tors. theta energy: -233.154 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: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2595.912888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.912888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.912888 (E_RNA) where: Base-Base interactions energy: -1823.458 where: short stacking energy: -786.932 Base-Backbone interact. energy: -1.665 local terms energy: -770.789999 where: bonds (distance) C4'-P energy: -131.312 bonds (distance) P-C4' energy: -151.835 flat angles C4'-P-C4' energy: -167.732 flat angles P-C4'-P energy: -98.030 tors. eta vs tors. theta energy: -221.880 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: 7, replica: 2 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2297.373795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.373795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.373795 (E_RNA) where: Base-Base interactions energy: -1583.296 where: short stacking energy: -686.166 Base-Backbone interact. energy: -1.059 local terms energy: -713.018796 where: bonds (distance) C4'-P energy: -124.936 bonds (distance) P-C4' energy: -131.592 flat angles C4'-P-C4' energy: -168.845 flat angles P-C4'-P energy: -114.426 tors. eta vs tors. theta energy: -173.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -2116.079181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.079181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.079181 (E_RNA) where: Base-Base interactions energy: -1438.812 where: short stacking energy: -620.943 Base-Backbone interact. energy: 0.316 local terms energy: -677.582993 where: bonds (distance) C4'-P energy: -140.636 bonds (distance) P-C4' energy: -143.594 flat angles C4'-P-C4' energy: -150.489 flat angles P-C4'-P energy: -84.994 tors. eta vs tors. theta energy: -157.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1550.679932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.679932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.679932 (E_RNA) where: Base-Base interactions energy: -994.435 where: short stacking energy: -453.384 Base-Backbone interact. energy: 2.919 local terms energy: -559.164298 where: bonds (distance) C4'-P energy: -128.600 bonds (distance) P-C4' energy: -105.060 flat angles C4'-P-C4' energy: -145.172 flat angles P-C4'-P energy: -89.865 tors. eta vs tors. theta energy: -90.467 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: 9 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1131.189368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.189368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.189368 (E_RNA) where: Base-Base interactions energy: -657.538 where: short stacking energy: -325.691 Base-Backbone interact. energy: -0.593 local terms energy: -473.057739 where: bonds (distance) C4'-P energy: -140.256 bonds (distance) P-C4' energy: -150.278 flat angles C4'-P-C4' energy: -113.199 flat angles P-C4'-P energy: -60.387 tors. eta vs tors. theta energy: -8.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3171.901565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.901565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.901565 (E_RNA) where: Base-Base interactions energy: -2270.818 where: short stacking energy: -940.112 Base-Backbone interact. energy: -0.967 local terms energy: -900.115995 where: bonds (distance) C4'-P energy: -154.963 bonds (distance) P-C4' energy: -158.904 flat angles C4'-P-C4' energy: -191.400 flat angles P-C4'-P energy: -129.769 tors. eta vs tors. theta energy: -265.079 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: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -3013.418723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.418723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.418723 (E_RNA) where: Base-Base interactions energy: -2095.926 where: short stacking energy: -905.100 Base-Backbone interact. energy: -3.669 local terms energy: -913.822810 where: bonds (distance) C4'-P energy: -156.765 bonds (distance) P-C4' energy: -164.122 flat angles C4'-P-C4' energy: -181.277 flat angles P-C4'-P energy: -147.864 tors. eta vs tors. theta energy: -263.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -2976.641490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.641490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.641490 (E_RNA) where: Base-Base interactions energy: -2059.109 where: short stacking energy: -921.575 Base-Backbone interact. energy: -4.450 local terms energy: -913.082800 where: bonds (distance) C4'-P energy: -158.602 bonds (distance) P-C4' energy: -165.915 flat angles C4'-P-C4' energy: -189.755 flat angles P-C4'-P energy: -118.989 tors. eta vs tors. theta energy: -279.821 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: 4, replica: 6 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2805.707378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.707378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.707378 (E_RNA) where: Base-Base interactions energy: -1935.869 where: short stacking energy: -828.450 Base-Backbone interact. energy: 2.177 local terms energy: -872.015166 where: bonds (distance) C4'-P energy: -172.822 bonds (distance) P-C4' energy: -155.394 flat angles C4'-P-C4' energy: -171.019 flat angles P-C4'-P energy: -123.349 tors. eta vs tors. theta energy: -249.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2764.652639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.652639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.652639 (E_RNA) where: Base-Base interactions energy: -1954.124 where: short stacking energy: -861.782 Base-Backbone interact. energy: -0.258 local terms energy: -810.270824 where: bonds (distance) C4'-P energy: -130.492 bonds (distance) P-C4' energy: -145.222 flat angles C4'-P-C4' energy: -168.775 flat angles P-C4'-P energy: -125.327 tors. eta vs tors. theta energy: -240.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2610.558495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.558495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.558495 (E_RNA) where: Base-Base interactions energy: -1842.877 where: short stacking energy: -803.430 Base-Backbone interact. energy: 1.702 local terms energy: -769.383250 where: bonds (distance) C4'-P energy: -125.191 bonds (distance) P-C4' energy: -127.743 flat angles C4'-P-C4' energy: -162.746 flat angles P-C4'-P energy: -120.790 tors. eta vs tors. theta energy: -232.914 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: 2 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2218.775048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.775048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.775048 (E_RNA) where: Base-Base interactions energy: -1518.766 where: short stacking energy: -665.629 Base-Backbone interact. energy: -0.754 local terms energy: -699.254810 where: bonds (distance) C4'-P energy: -137.594 bonds (distance) P-C4' energy: -136.795 flat angles C4'-P-C4' energy: -153.657 flat angles P-C4'-P energy: -112.250 tors. eta vs tors. theta energy: -158.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -2064.855190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.855190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.855190 (E_RNA) where: Base-Base interactions energy: -1418.679 where: short stacking energy: -624.369 Base-Backbone interact. energy: -2.483 local terms energy: -643.693342 where: bonds (distance) C4'-P energy: -133.272 bonds (distance) P-C4' energy: -140.121 flat angles C4'-P-C4' energy: -145.149 flat angles P-C4'-P energy: -74.881 tors. eta vs tors. theta energy: -150.271 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: 9, replica: 10 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1591.909721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.909721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.909721 (E_RNA) where: Base-Base interactions energy: -1017.419 where: short stacking energy: -457.881 Base-Backbone interact. energy: -2.789 local terms energy: -571.701364 where: bonds (distance) C4'-P energy: -141.825 bonds (distance) P-C4' energy: -159.526 flat angles C4'-P-C4' energy: -128.273 flat angles P-C4'-P energy: -63.627 tors. eta vs tors. theta energy: -78.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1168.883021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.883021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.883021 (E_RNA) where: Base-Base interactions energy: -712.045 where: short stacking energy: -351.896 Base-Backbone interact. energy: 6.277 local terms energy: -463.114704 where: bonds (distance) C4'-P energy: -122.392 bonds (distance) P-C4' energy: -116.655 flat angles C4'-P-C4' energy: -134.418 flat angles P-C4'-P energy: -66.526 tors. eta vs tors. theta energy: -23.124 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: 3 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3144.412115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.412115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.412115 (E_RNA) where: Base-Base interactions energy: -2223.589 where: short stacking energy: -940.859 Base-Backbone interact. energy: -3.260 local terms energy: -917.562991 where: bonds (distance) C4'-P energy: -166.142 bonds (distance) P-C4' energy: -156.635 flat angles C4'-P-C4' energy: -192.804 flat angles P-C4'-P energy: -126.965 tors. eta vs tors. theta energy: -275.016 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: 4 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -2981.313504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.313504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.313504 (E_RNA) where: Base-Base interactions energy: -2064.139 where: short stacking energy: -885.138 Base-Backbone interact. energy: -2.211 local terms energy: -914.963069 where: bonds (distance) C4'-P energy: -165.131 bonds (distance) P-C4' energy: -174.084 flat angles C4'-P-C4' energy: -191.980 flat angles P-C4'-P energy: -131.359 tors. eta vs tors. theta energy: -252.409 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: 5 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2978.814073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.814073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.814073 (E_RNA) where: Base-Base interactions energy: -2073.815 where: short stacking energy: -902.029 Base-Backbone interact. energy: -2.818 local terms energy: -902.180908 where: bonds (distance) C4'-P energy: -143.397 bonds (distance) P-C4' energy: -162.514 flat angles C4'-P-C4' energy: -196.214 flat angles P-C4'-P energy: -123.983 tors. eta vs tors. theta energy: -276.073 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: 6 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2819.777015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.777015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.777015 (E_RNA) where: Base-Base interactions energy: -1991.521 where: short stacking energy: -865.105 Base-Backbone interact. energy: 2.262 local terms energy: -830.518178 where: bonds (distance) C4'-P energy: -156.317 bonds (distance) P-C4' energy: -137.712 flat angles C4'-P-C4' energy: -178.723 flat angles P-C4'-P energy: -111.792 tors. eta vs tors. theta energy: -245.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2720.348918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.348918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.348918 (E_RNA) where: Base-Base interactions energy: -1891.994 where: short stacking energy: -851.587 Base-Backbone interact. energy: -2.142 local terms energy: -826.212955 where: bonds (distance) C4'-P energy: -156.273 bonds (distance) P-C4' energy: -145.671 flat angles C4'-P-C4' energy: -179.946 flat angles P-C4'-P energy: -102.725 tors. eta vs tors. theta energy: -241.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2598.242930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.242930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.242930 (E_RNA) where: Base-Base interactions energy: -1842.903 where: short stacking energy: -757.017 Base-Backbone interact. energy: 8.648 local terms energy: -763.987879 where: bonds (distance) C4'-P energy: -120.530 bonds (distance) P-C4' energy: -156.591 flat angles C4'-P-C4' energy: -165.970 flat angles P-C4'-P energy: -100.218 tors. eta vs tors. theta energy: -220.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2272.555813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.555813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.555813 (E_RNA) where: Base-Base interactions energy: -1494.348 where: short stacking energy: -652.558 Base-Backbone interact. energy: -1.660 local terms energy: -776.546935 where: bonds (distance) C4'-P energy: -161.345 bonds (distance) P-C4' energy: -163.367 flat angles C4'-P-C4' energy: -166.511 flat angles P-C4'-P energy: -99.855 tors. eta vs tors. theta energy: -185.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -2066.353369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.353369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.353369 (E_RNA) where: Base-Base interactions energy: -1411.757 where: short stacking energy: -626.979 Base-Backbone interact. energy: 0.111 local terms energy: -654.707960 where: bonds (distance) C4'-P energy: -123.486 bonds (distance) P-C4' energy: -119.120 flat angles C4'-P-C4' energy: -159.567 flat angles P-C4'-P energy: -91.163 tors. eta vs tors. theta energy: -161.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1617.709022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.709022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.709022 (E_RNA) where: Base-Base interactions energy: -1051.962 where: short stacking energy: -464.119 Base-Backbone interact. energy: -4.341 local terms energy: -561.405497 where: bonds (distance) C4'-P energy: -119.062 bonds (distance) P-C4' energy: -135.683 flat angles C4'-P-C4' energy: -142.681 flat angles P-C4'-P energy: -69.938 tors. eta vs tors. theta energy: -94.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1194.300522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.300522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.300522 (E_RNA) where: Base-Base interactions energy: -714.307 where: short stacking energy: -354.150 Base-Backbone interact. energy: -3.886 local terms energy: -476.107624 where: bonds (distance) C4'-P energy: -105.366 bonds (distance) P-C4' energy: -120.006 flat angles C4'-P-C4' energy: -129.584 flat angles P-C4'-P energy: -96.270 tors. eta vs tors. theta energy: -24.881 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: 3 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -3130.983805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.983805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.983805 (E_RNA) where: Base-Base interactions energy: -2209.284 where: short stacking energy: -919.423 Base-Backbone interact. energy: -6.439 local terms energy: -915.261357 where: bonds (distance) C4'-P energy: -162.055 bonds (distance) P-C4' energy: -178.137 flat angles C4'-P-C4' energy: -192.095 flat angles P-C4'-P energy: -124.493 tors. eta vs tors. theta energy: -258.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2988.165640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.165640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.165640 (E_RNA) where: Base-Base interactions energy: -2106.509 where: short stacking energy: -906.758 Base-Backbone interact. energy: -3.365 local terms energy: -878.290990 where: bonds (distance) C4'-P energy: -150.388 bonds (distance) P-C4' energy: -156.997 flat angles C4'-P-C4' energy: -192.827 flat angles P-C4'-P energy: -114.314 tors. eta vs tors. theta energy: -263.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2963.689247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.689247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.689247 (E_RNA) where: Base-Base interactions energy: -2069.757 where: short stacking energy: -911.306 Base-Backbone interact. energy: -3.966 local terms energy: -889.966278 where: bonds (distance) C4'-P energy: -150.891 bonds (distance) P-C4' energy: -153.519 flat angles C4'-P-C4' energy: -190.282 flat angles P-C4'-P energy: -110.354 tors. eta vs tors. theta energy: -284.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2842.183675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.183675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.183675 (E_RNA) where: Base-Base interactions energy: -1980.794 where: short stacking energy: -847.914 Base-Backbone interact. energy: 5.028 local terms energy: -866.417498 where: bonds (distance) C4'-P energy: -133.112 bonds (distance) P-C4' energy: -156.385 flat angles C4'-P-C4' energy: -182.303 flat angles P-C4'-P energy: -135.047 tors. eta vs tors. theta energy: -259.570 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: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2702.459297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.459297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.459297 (E_RNA) where: Base-Base interactions energy: -1869.240 where: short stacking energy: -815.167 Base-Backbone interact. energy: -0.038 local terms energy: -833.181531 where: bonds (distance) C4'-P energy: -138.090 bonds (distance) P-C4' energy: -149.015 flat angles C4'-P-C4' energy: -186.948 flat angles P-C4'-P energy: -118.558 tors. eta vs tors. theta energy: -240.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2604.965462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.965462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.965462 (E_RNA) where: Base-Base interactions energy: -1854.619 where: short stacking energy: -784.354 Base-Backbone interact. energy: 5.815 local terms energy: -756.162140 where: bonds (distance) C4'-P energy: -143.717 bonds (distance) P-C4' energy: -123.796 flat angles C4'-P-C4' energy: -161.637 flat angles P-C4'-P energy: -112.108 tors. eta vs tors. theta energy: -214.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -2342.585223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.585223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.585223 (E_RNA) where: Base-Base interactions energy: -1623.608 where: short stacking energy: -703.113 Base-Backbone interact. energy: 0.884 local terms energy: -719.861893 where: bonds (distance) C4'-P energy: -140.420 bonds (distance) P-C4' energy: -139.735 flat angles C4'-P-C4' energy: -166.355 flat angles P-C4'-P energy: -81.142 tors. eta vs tors. theta energy: -192.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -2082.779016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.779016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.779016 (E_RNA) where: Base-Base interactions energy: -1425.690 where: short stacking energy: -599.946 Base-Backbone interact. energy: -3.319 local terms energy: -653.770474 where: bonds (distance) C4'-P energy: -131.831 bonds (distance) P-C4' energy: -130.718 flat angles C4'-P-C4' energy: -155.015 flat angles P-C4'-P energy: -86.671 tors. eta vs tors. theta energy: -149.537 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: 10 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1629.922512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.922512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.922512 (E_RNA) where: Base-Base interactions energy: -1015.147 where: short stacking energy: -464.761 Base-Backbone interact. energy: 0.511 local terms energy: -615.287347 where: bonds (distance) C4'-P energy: -129.280 bonds (distance) P-C4' energy: -137.079 flat angles C4'-P-C4' energy: -153.948 flat angles P-C4'-P energy: -101.595 tors. eta vs tors. theta energy: -93.385 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: 9 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1168.349272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.349272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.349272 (E_RNA) where: Base-Base interactions energy: -689.750 where: short stacking energy: -334.403 Base-Backbone interact. energy: -0.687 local terms energy: -477.911608 where: bonds (distance) C4'-P energy: -135.307 bonds (distance) P-C4' energy: -136.371 flat angles C4'-P-C4' energy: -105.943 flat angles P-C4'-P energy: -80.627 tors. eta vs tors. theta energy: -19.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -3154.002829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.002829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.002829 (E_RNA) where: Base-Base interactions energy: -2245.050 where: short stacking energy: -936.484 Base-Backbone interact. energy: 6.133 local terms energy: -915.085002 where: bonds (distance) C4'-P energy: -178.026 bonds (distance) P-C4' energy: -150.349 flat angles C4'-P-C4' energy: -190.265 flat angles P-C4'-P energy: -133.980 tors. eta vs tors. theta energy: -262.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2979.816374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.816374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.816374 (E_RNA) where: Base-Base interactions energy: -2084.794 where: short stacking energy: -918.432 Base-Backbone interact. energy: -3.470 local terms energy: -891.552652 where: bonds (distance) C4'-P energy: -153.135 bonds (distance) P-C4' energy: -170.055 flat angles C4'-P-C4' energy: -176.528 flat angles P-C4'-P energy: -132.960 tors. eta vs tors. theta energy: -258.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2973.165680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.165680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.165680 (E_RNA) where: Base-Base interactions energy: -2063.337 where: short stacking energy: -887.758 Base-Backbone interact. energy: -4.646 local terms energy: -905.182828 where: bonds (distance) C4'-P energy: -128.561 bonds (distance) P-C4' energy: -160.152 flat angles C4'-P-C4' energy: -201.748 flat angles P-C4'-P energy: -144.359 tors. eta vs tors. theta energy: -270.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2780.682916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.682916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.682916 (E_RNA) where: Base-Base interactions energy: -1940.070 where: short stacking energy: -856.393 Base-Backbone interact. energy: -3.613 local terms energy: -836.999539 where: bonds (distance) C4'-P energy: -139.342 bonds (distance) P-C4' energy: -153.944 flat angles C4'-P-C4' energy: -173.896 flat angles P-C4'-P energy: -118.693 tors. eta vs tors. theta energy: -251.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2726.043617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.043617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.043617 (E_RNA) where: Base-Base interactions energy: -1915.521 where: short stacking energy: -848.703 Base-Backbone interact. energy: -2.917 local terms energy: -807.605808 where: bonds (distance) C4'-P energy: -133.377 bonds (distance) P-C4' energy: -146.662 flat angles C4'-P-C4' energy: -171.844 flat angles P-C4'-P energy: -112.594 tors. eta vs tors. theta energy: -243.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2548.612346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.612346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.612346 (E_RNA) where: Base-Base interactions energy: -1756.622 where: short stacking energy: -770.601 Base-Backbone interact. energy: 0.052 local terms energy: -792.042798 where: bonds (distance) C4'-P energy: -155.345 bonds (distance) P-C4' energy: -144.258 flat angles C4'-P-C4' energy: -160.912 flat angles P-C4'-P energy: -113.397 tors. eta vs tors. theta energy: -218.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2459.448092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.448092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.448092 (E_RNA) where: Base-Base interactions energy: -1704.652 where: short stacking energy: -725.377 Base-Backbone interact. energy: -2.983 local terms energy: -751.813268 where: bonds (distance) C4'-P energy: -138.537 bonds (distance) P-C4' energy: -146.639 flat angles C4'-P-C4' energy: -164.722 flat angles P-C4'-P energy: -96.113 tors. eta vs tors. theta energy: -205.803 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: 1 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -2117.473254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.473254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.473254 (E_RNA) where: Base-Base interactions energy: -1440.364 where: short stacking energy: -650.460 Base-Backbone interact. energy: -0.318 local terms energy: -676.791391 where: bonds (distance) C4'-P energy: -123.288 bonds (distance) P-C4' energy: -138.079 flat angles C4'-P-C4' energy: -147.889 flat angles P-C4'-P energy: -100.658 tors. eta vs tors. theta energy: -166.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1685.458899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.458899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.458899 (E_RNA) where: Base-Base interactions energy: -1120.952 where: short stacking energy: -490.576 Base-Backbone interact. energy: 0.102 local terms energy: -564.609494 where: bonds (distance) C4'-P energy: -130.620 bonds (distance) P-C4' energy: -112.416 flat angles C4'-P-C4' energy: -134.186 flat angles P-C4'-P energy: -92.306 tors. eta vs tors. theta energy: -95.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1142.605643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.605643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.605643 (E_RNA) where: Base-Base interactions energy: -664.310 where: short stacking energy: -332.579 Base-Backbone interact. energy: -0.862 local terms energy: -477.433229 where: bonds (distance) C4'-P energy: -131.520 bonds (distance) P-C4' energy: -138.144 flat angles C4'-P-C4' energy: -121.077 flat angles P-C4'-P energy: -71.380 tors. eta vs tors. theta energy: -15.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -3108.007204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.007204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.007204 (E_RNA) where: Base-Base interactions energy: -2182.849 where: short stacking energy: -917.145 Base-Backbone interact. energy: -2.693 local terms energy: -922.464686 where: bonds (distance) C4'-P energy: -171.397 bonds (distance) P-C4' energy: -163.068 flat angles C4'-P-C4' energy: -188.647 flat angles P-C4'-P energy: -133.544 tors. eta vs tors. theta energy: -265.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2974.324167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.324167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.324167 (E_RNA) where: Base-Base interactions energy: -2059.190 where: short stacking energy: -890.598 Base-Backbone interact. energy: -4.390 local terms energy: -910.744265 where: bonds (distance) C4'-P energy: -153.025 bonds (distance) P-C4' energy: -163.768 flat angles C4'-P-C4' energy: -194.615 flat angles P-C4'-P energy: -126.174 tors. eta vs tors. theta energy: -273.163 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: 4 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2926.056163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.056163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.056163 (E_RNA) where: Base-Base interactions energy: -2037.471 where: short stacking energy: -897.090 Base-Backbone interact. energy: -4.226 local terms energy: -884.359190 where: bonds (distance) C4'-P energy: -148.608 bonds (distance) P-C4' energy: -161.386 flat angles C4'-P-C4' energy: -198.420 flat angles P-C4'-P energy: -122.501 tors. eta vs tors. theta energy: -253.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2795.666156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.666156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.666156 (E_RNA) where: Base-Base interactions energy: -1957.411 where: short stacking energy: -865.524 Base-Backbone interact. energy: 2.224 local terms energy: -840.478976 where: bonds (distance) C4'-P energy: -147.882 bonds (distance) P-C4' energy: -153.059 flat angles C4'-P-C4' energy: -176.112 flat angles P-C4'-P energy: -108.748 tors. eta vs tors. theta energy: -254.678 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: 8 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2725.774240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.774240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.774240 (E_RNA) where: Base-Base interactions energy: -1887.802 where: short stacking energy: -802.186 Base-Backbone interact. energy: -0.595 local terms energy: -837.376987 where: bonds (distance) C4'-P energy: -147.174 bonds (distance) P-C4' energy: -163.841 flat angles C4'-P-C4' energy: -170.536 flat angles P-C4'-P energy: -112.209 tors. eta vs tors. theta energy: -243.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2499.082350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.082350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.082350 (E_RNA) where: Base-Base interactions energy: -1760.156 where: short stacking energy: -751.500 Base-Backbone interact. energy: -2.457 local terms energy: -736.469533 where: bonds (distance) C4'-P energy: -135.294 bonds (distance) P-C4' energy: -145.554 flat angles C4'-P-C4' energy: -175.510 flat angles P-C4'-P energy: -77.331 tors. eta vs tors. theta energy: -202.781 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: 493 Temperature: 1.200000 Total energy: -2499.518790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.518790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.518790 (E_RNA) where: Base-Base interactions energy: -1715.860 where: short stacking energy: -738.571 Base-Backbone interact. energy: -1.953 local terms energy: -781.705222 where: bonds (distance) C4'-P energy: -144.699 bonds (distance) P-C4' energy: -159.032 flat angles C4'-P-C4' energy: -160.523 flat angles P-C4'-P energy: -97.460 tors. eta vs tors. theta energy: -219.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -2030.738277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.738277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.738277 (E_RNA) where: Base-Base interactions energy: -1409.179 where: short stacking energy: -645.062 Base-Backbone interact. energy: 1.497 local terms energy: -623.056493 where: bonds (distance) C4'-P energy: -109.828 bonds (distance) P-C4' energy: -121.921 flat angles C4'-P-C4' energy: -135.386 flat angles P-C4'-P energy: -100.339 tors. eta vs tors. theta energy: -155.582 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: 9, replica: 10 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1671.498142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.498142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.498142 (E_RNA) where: Base-Base interactions energy: -1114.384 where: short stacking energy: -484.267 Base-Backbone interact. energy: -0.361 local terms energy: -556.753186 where: bonds (distance) C4'-P energy: -121.403 bonds (distance) P-C4' energy: -126.644 flat angles C4'-P-C4' energy: -136.625 flat angles P-C4'-P energy: -74.848 tors. eta vs tors. theta energy: -97.233 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: 10, replica: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1106.926596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.926596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.926596 (E_RNA) where: Base-Base interactions energy: -622.801 where: short stacking energy: -319.674 Base-Backbone interact. energy: 2.066 local terms energy: -486.191390 where: bonds (distance) C4'-P energy: -104.431 bonds (distance) P-C4' energy: -148.267 flat angles C4'-P-C4' energy: -125.796 flat angles P-C4'-P energy: -87.142 tors. eta vs tors. theta energy: -20.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -3133.280932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.280932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.280932 (E_RNA) where: Base-Base interactions energy: -2219.201 where: short stacking energy: -927.395 Base-Backbone interact. energy: -2.578 local terms energy: -911.502345 where: bonds (distance) C4'-P energy: -156.101 bonds (distance) P-C4' energy: -168.646 flat angles C4'-P-C4' energy: -187.201 flat angles P-C4'-P energy: -138.632 tors. eta vs tors. theta energy: -260.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -3042.569029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.569029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.569029 (E_RNA) where: Base-Base interactions energy: -2107.186 where: short stacking energy: -938.315 Base-Backbone interact. energy: -2.947 local terms energy: -932.436235 where: bonds (distance) C4'-P energy: -140.506 bonds (distance) P-C4' energy: -174.633 flat angles C4'-P-C4' energy: -196.956 flat angles P-C4'-P energy: -142.926 tors. eta vs tors. theta energy: -277.415 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: 3, replica: 4 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2914.281817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.281817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.281817 (E_RNA) where: Base-Base interactions energy: -2045.022 where: short stacking energy: -874.113 Base-Backbone interact. energy: -2.787 local terms energy: -866.472532 where: bonds (distance) C4'-P energy: -138.130 bonds (distance) P-C4' energy: -162.424 flat angles C4'-P-C4' energy: -193.976 flat angles P-C4'-P energy: -118.232 tors. eta vs tors. theta energy: -253.711 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: 6 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2770.599066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.599066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.599066 (E_RNA) where: Base-Base interactions energy: -1945.266 where: short stacking energy: -850.193 Base-Backbone interact. energy: 5.077 local terms energy: -830.410200 where: bonds (distance) C4'-P energy: -161.070 bonds (distance) P-C4' energy: -153.801 flat angles C4'-P-C4' energy: -172.652 flat angles P-C4'-P energy: -110.746 tors. eta vs tors. theta energy: -232.142 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: 8 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2693.312780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.312780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.312780 (E_RNA) where: Base-Base interactions energy: -1893.420 where: short stacking energy: -823.176 Base-Backbone interact. energy: -0.645 local terms energy: -799.248102 where: bonds (distance) C4'-P energy: -150.550 bonds (distance) P-C4' energy: -138.088 flat angles C4'-P-C4' energy: -163.720 flat angles P-C4'-P energy: -104.725 tors. eta vs tors. theta energy: -242.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2478.519021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.519021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.519021 (E_RNA) where: Base-Base interactions energy: -1710.742 where: short stacking energy: -749.510 Base-Backbone interact. energy: 0.695 local terms energy: -768.472187 where: bonds (distance) C4'-P energy: -159.798 bonds (distance) P-C4' energy: -145.374 flat angles C4'-P-C4' energy: -162.169 flat angles P-C4'-P energy: -99.215 tors. eta vs tors. theta energy: -201.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -2458.868591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.868591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.868591 (E_RNA) where: Base-Base interactions energy: -1676.212 where: short stacking energy: -739.938 Base-Backbone interact. energy: -0.992 local terms energy: -781.664759 where: bonds (distance) C4'-P energy: -152.112 bonds (distance) P-C4' energy: -133.498 flat angles C4'-P-C4' energy: -162.635 flat angles P-C4'-P energy: -119.898 tors. eta vs tors. theta energy: -213.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -2070.549814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.549814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.549814 (E_RNA) where: Base-Base interactions energy: -1369.260 where: short stacking energy: -594.195 Base-Backbone interact. energy: -4.722 local terms energy: -696.568030 where: bonds (distance) C4'-P energy: -138.820 bonds (distance) P-C4' energy: -147.557 flat angles C4'-P-C4' energy: -158.792 flat angles P-C4'-P energy: -96.322 tors. eta vs tors. theta energy: -155.077 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: 10 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1677.575421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.575421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.575421 (E_RNA) where: Base-Base interactions energy: -1080.377 where: short stacking energy: -476.262 Base-Backbone interact. energy: 3.773 local terms energy: -600.971123 where: bonds (distance) C4'-P energy: -138.420 bonds (distance) P-C4' energy: -149.401 flat angles C4'-P-C4' energy: -124.771 flat angles P-C4'-P energy: -81.554 tors. eta vs tors. theta energy: -106.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1047.285668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.285668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.285668 (E_RNA) where: Base-Base interactions energy: -605.852 where: short stacking energy: -306.430 Base-Backbone interact. energy: 2.718 local terms energy: -444.151861 where: bonds (distance) C4'-P energy: -107.880 bonds (distance) P-C4' energy: -143.886 flat angles C4'-P-C4' energy: -113.047 flat angles P-C4'-P energy: -61.518 tors. eta vs tors. theta energy: -17.821 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: 3 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -3142.295575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.295575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.295575 (E_RNA) where: Base-Base interactions energy: -2202.949 where: short stacking energy: -933.974 Base-Backbone interact. energy: -4.225 local terms energy: -935.121805 where: bonds (distance) C4'-P energy: -176.778 bonds (distance) P-C4' energy: -166.908 flat angles C4'-P-C4' energy: -187.552 flat angles P-C4'-P energy: -135.408 tors. eta vs tors. theta energy: -268.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2990.430768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.430768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.430768 (E_RNA) where: Base-Base interactions energy: -2063.739 where: short stacking energy: -913.695 Base-Backbone interact. energy: -0.958 local terms energy: -925.734539 where: bonds (distance) C4'-P energy: -161.771 bonds (distance) P-C4' energy: -172.386 flat angles C4'-P-C4' energy: -191.770 flat angles P-C4'-P energy: -130.102 tors. eta vs tors. theta energy: -269.705 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: 3, replica: 4 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -2909.044482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.044482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.044482 (E_RNA) where: Base-Base interactions energy: -2044.556 where: short stacking energy: -890.717 Base-Backbone interact. energy: -1.723 local terms energy: -862.765753 where: bonds (distance) C4'-P energy: -157.749 bonds (distance) P-C4' energy: -159.386 flat angles C4'-P-C4' energy: -181.410 flat angles P-C4'-P energy: -110.780 tors. eta vs tors. theta energy: -253.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2792.397337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.397337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.397337 (E_RNA) where: Base-Base interactions energy: -1955.479 where: short stacking energy: -844.784 Base-Backbone interact. energy: 4.573 local terms energy: -841.491354 where: bonds (distance) C4'-P energy: -156.170 bonds (distance) P-C4' energy: -145.621 flat angles C4'-P-C4' energy: -169.174 flat angles P-C4'-P energy: -126.827 tors. eta vs tors. theta energy: -243.699 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: 8 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2693.437613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.437613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.437613 (E_RNA) where: Base-Base interactions energy: -1883.256 where: short stacking energy: -822.162 Base-Backbone interact. energy: -0.891 local terms energy: -809.290586 where: bonds (distance) C4'-P energy: -123.839 bonds (distance) P-C4' energy: -157.567 flat angles C4'-P-C4' energy: -184.301 flat angles P-C4'-P energy: -103.031 tors. eta vs tors. theta energy: -240.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2566.946414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.946414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.946414 (E_RNA) where: Base-Base interactions energy: -1786.542 where: short stacking energy: -787.084 Base-Backbone interact. energy: -2.403 local terms energy: -778.001730 where: bonds (distance) C4'-P energy: -141.752 bonds (distance) P-C4' energy: -142.322 flat angles C4'-P-C4' energy: -162.501 flat angles P-C4'-P energy: -108.795 tors. eta vs tors. theta energy: -222.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -2415.708437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.708437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.708437 (E_RNA) where: Base-Base interactions energy: -1680.782 where: short stacking energy: -727.233 Base-Backbone interact. energy: 2.000 local terms energy: -736.926303 where: bonds (distance) C4'-P energy: -127.528 bonds (distance) P-C4' energy: -152.430 flat angles C4'-P-C4' energy: -159.060 flat angles P-C4'-P energy: -104.149 tors. eta vs tors. theta energy: -193.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -2169.997549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.997549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.997549 (E_RNA) where: Base-Base interactions energy: -1512.497 where: short stacking energy: -674.357 Base-Backbone interact. energy: -1.198 local terms energy: -656.302656 where: bonds (distance) C4'-P energy: -117.937 bonds (distance) P-C4' energy: -149.100 flat angles C4'-P-C4' energy: -139.083 flat angles P-C4'-P energy: -81.539 tors. eta vs tors. theta energy: -168.645 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: 9, replica: 10 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1716.030316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.030316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.030316 (E_RNA) where: Base-Base interactions energy: -1135.278 where: short stacking energy: -506.598 Base-Backbone interact. energy: -2.551 local terms energy: -578.201119 where: bonds (distance) C4'-P energy: -101.748 bonds (distance) P-C4' energy: -157.117 flat angles C4'-P-C4' energy: -141.781 flat angles P-C4'-P energy: -67.294 tors. eta vs tors. theta energy: -110.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1071.291080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.291080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.291080 (E_RNA) where: Base-Base interactions energy: -612.050 where: short stacking energy: -341.499 Base-Backbone interact. energy: -0.685 local terms energy: -458.556367 where: bonds (distance) C4'-P energy: -125.797 bonds (distance) P-C4' energy: -128.507 flat angles C4'-P-C4' energy: -99.436 flat angles P-C4'-P energy: -74.891 tors. eta vs tors. theta energy: -29.925 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: 1, replica: 3 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -3137.100664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.100664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.100664 (E_RNA) where: Base-Base interactions energy: -2213.358 where: short stacking energy: -937.471 Base-Backbone interact. energy: -4.470 local terms energy: -919.273435 where: bonds (distance) C4'-P energy: -169.766 bonds (distance) P-C4' energy: -147.393 flat angles C4'-P-C4' energy: -202.578 flat angles P-C4'-P energy: -130.599 tors. eta vs tors. theta energy: -268.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -3002.092897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.092897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.092897 (E_RNA) where: Base-Base interactions energy: -2085.748 where: short stacking energy: -902.423 Base-Backbone interact. energy: -1.372 local terms energy: -914.972617 where: bonds (distance) C4'-P energy: -148.754 bonds (distance) P-C4' energy: -165.077 flat angles C4'-P-C4' energy: -193.879 flat angles P-C4'-P energy: -141.194 tors. eta vs tors. theta energy: -266.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2901.264225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.264225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.264225 (E_RNA) where: Base-Base interactions energy: -2018.052 where: short stacking energy: -887.891 Base-Backbone interact. energy: -2.201 local terms energy: -881.011155 where: bonds (distance) C4'-P energy: -159.240 bonds (distance) P-C4' energy: -156.977 flat angles C4'-P-C4' energy: -185.967 flat angles P-C4'-P energy: -117.656 tors. eta vs tors. theta energy: -261.171 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: 496 Temperature: 1.050000 Total energy: -2848.732692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.732692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.732692 (E_RNA) where: Base-Base interactions energy: -1991.293 where: short stacking energy: -845.098 Base-Backbone interact. energy: -5.245 local terms energy: -852.194800 where: bonds (distance) C4'-P energy: -148.619 bonds (distance) P-C4' energy: -139.798 flat angles C4'-P-C4' energy: -185.241 flat angles P-C4'-P energy: -133.066 tors. eta vs tors. theta energy: -245.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2715.922187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.922187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.922187 (E_RNA) where: Base-Base interactions energy: -1903.284 where: short stacking energy: -834.908 Base-Backbone interact. energy: -4.798 local terms energy: -807.839376 where: bonds (distance) C4'-P energy: -130.066 bonds (distance) P-C4' energy: -135.415 flat angles C4'-P-C4' energy: -183.401 flat angles P-C4'-P energy: -115.761 tors. eta vs tors. theta energy: -243.196 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: 496 Temperature: 1.150000 Total energy: -2472.234551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.234551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.234551 (E_RNA) where: Base-Base interactions energy: -1722.067 where: short stacking energy: -755.132 Base-Backbone interact. energy: -3.523 local terms energy: -746.644936 where: bonds (distance) C4'-P energy: -138.726 bonds (distance) P-C4' energy: -131.406 flat angles C4'-P-C4' energy: -159.731 flat angles P-C4'-P energy: -92.375 tors. eta vs tors. theta energy: -224.407 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: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -2385.561900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.561900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.561900 (E_RNA) where: Base-Base interactions energy: -1684.297 where: short stacking energy: -718.956 Base-Backbone interact. energy: -0.354 local terms energy: -700.911073 where: bonds (distance) C4'-P energy: -120.454 bonds (distance) P-C4' energy: -149.090 flat angles C4'-P-C4' energy: -136.631 flat angles P-C4'-P energy: -104.194 tors. eta vs tors. theta energy: -190.542 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: 1 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -2147.631571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.631571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.631571 (E_RNA) where: Base-Base interactions energy: -1451.512 where: short stacking energy: -629.597 Base-Backbone interact. energy: -2.625 local terms energy: -693.495112 where: bonds (distance) C4'-P energy: -140.224 bonds (distance) P-C4' energy: -140.322 flat angles C4'-P-C4' energy: -156.912 flat angles P-C4'-P energy: -95.405 tors. eta vs tors. theta energy: -160.632 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: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1662.770837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.770837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.770837 (E_RNA) where: Base-Base interactions energy: -1112.068 where: short stacking energy: -481.299 Base-Backbone interact. energy: -2.126 local terms energy: -548.576793 where: bonds (distance) C4'-P energy: -140.065 bonds (distance) P-C4' energy: -129.571 flat angles C4'-P-C4' energy: -116.845 flat angles P-C4'-P energy: -81.350 tors. eta vs tors. theta energy: -80.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1088.647122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.647122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.647122 (E_RNA) where: Base-Base interactions energy: -607.945 where: short stacking energy: -326.871 Base-Backbone interact. energy: 4.071 local terms energy: -484.773476 where: bonds (distance) C4'-P energy: -127.452 bonds (distance) P-C4' energy: -130.812 flat angles C4'-P-C4' energy: -126.910 flat angles P-C4'-P energy: -71.765 tors. eta vs tors. theta energy: -27.834 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: 1, replica: 3 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -3154.987250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.987250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.987250 (E_RNA) where: Base-Base interactions energy: -2220.428 where: short stacking energy: -937.575 Base-Backbone interact. energy: -4.000 local terms energy: -930.559944 where: bonds (distance) C4'-P energy: -167.851 bonds (distance) P-C4' energy: -172.499 flat angles C4'-P-C4' energy: -198.031 flat angles P-C4'-P energy: -123.428 tors. eta vs tors. theta energy: -268.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -3019.303343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.303343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.303343 (E_RNA) where: Base-Base interactions energy: -2101.259 where: short stacking energy: -883.270 Base-Backbone interact. energy: 3.756 local terms energy: -921.800331 where: bonds (distance) C4'-P energy: -159.555 bonds (distance) P-C4' energy: -162.890 flat angles C4'-P-C4' energy: -193.030 flat angles P-C4'-P energy: -136.359 tors. eta vs tors. theta energy: -269.966 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: 6 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2877.929636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.929636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.929636 (E_RNA) where: Base-Base interactions energy: -2003.285 where: short stacking energy: -881.910 Base-Backbone interact. energy: -1.172 local terms energy: -873.472358 where: bonds (distance) C4'-P energy: -151.356 bonds (distance) P-C4' energy: -164.408 flat angles C4'-P-C4' energy: -180.764 flat angles P-C4'-P energy: -125.829 tors. eta vs tors. theta energy: -251.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2768.393695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.393695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.393695 (E_RNA) where: Base-Base interactions energy: -1956.438 where: short stacking energy: -827.769 Base-Backbone interact. energy: -2.836 local terms energy: -809.119339 where: bonds (distance) C4'-P energy: -142.988 bonds (distance) P-C4' energy: -140.228 flat angles C4'-P-C4' energy: -176.233 flat angles P-C4'-P energy: -118.352 tors. eta vs tors. theta energy: -231.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2717.537354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.537354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.537354 (E_RNA) where: Base-Base interactions energy: -1932.199 where: short stacking energy: -810.844 Base-Backbone interact. energy: 0.523 local terms energy: -785.861063 where: bonds (distance) C4'-P energy: -130.206 bonds (distance) P-C4' energy: -147.152 flat angles C4'-P-C4' energy: -166.552 flat angles P-C4'-P energy: -93.116 tors. eta vs tors. theta energy: -248.836 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: 6, replica: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2392.269126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.269126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.269126 (E_RNA) where: Base-Base interactions energy: -1654.316 where: short stacking energy: -723.061 Base-Backbone interact. energy: -3.847 local terms energy: -734.106508 where: bonds (distance) C4'-P energy: -139.757 bonds (distance) P-C4' energy: -148.216 flat angles C4'-P-C4' energy: -174.900 flat angles P-C4'-P energy: -106.949 tors. eta vs tors. theta energy: -164.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -2364.977575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.977575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.977575 (E_RNA) where: Base-Base interactions energy: -1612.325 where: short stacking energy: -716.985 Base-Backbone interact. energy: -4.666 local terms energy: -747.986279 where: bonds (distance) C4'-P energy: -125.625 bonds (distance) P-C4' energy: -145.312 flat angles C4'-P-C4' energy: -153.070 flat angles P-C4'-P energy: -121.333 tors. eta vs tors. theta energy: -202.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -2157.319622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.319622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.319622 (E_RNA) where: Base-Base interactions energy: -1455.853 where: short stacking energy: -638.398 Base-Backbone interact. energy: -2.503 local terms energy: -698.963962 where: bonds (distance) C4'-P energy: -145.193 bonds (distance) P-C4' energy: -130.941 flat angles C4'-P-C4' energy: -155.557 flat angles P-C4'-P energy: -107.515 tors. eta vs tors. theta energy: -159.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1649.051095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.051095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.051095 (E_RNA) where: Base-Base interactions energy: -1092.745 where: short stacking energy: -487.578 Base-Backbone interact. energy: -5.706 local terms energy: -550.600105 where: bonds (distance) C4'-P energy: -112.869 bonds (distance) P-C4' energy: -120.107 flat angles C4'-P-C4' energy: -140.089 flat angles P-C4'-P energy: -82.383 tors. eta vs tors. theta energy: -95.152 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: 9 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -1070.197518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.197518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.197518 (E_RNA) where: Base-Base interactions energy: -606.426 where: short stacking energy: -314.892 Base-Backbone interact. energy: 3.473 local terms energy: -467.244087 where: bonds (distance) C4'-P energy: -102.622 bonds (distance) P-C4' energy: -145.719 flat angles C4'-P-C4' energy: -148.899 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: -26.697 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: 1, replica: 3 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -3140.205083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.205083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.205083 (E_RNA) where: Base-Base interactions energy: -2229.035 where: short stacking energy: -946.102 Base-Backbone interact. energy: 3.313 local terms energy: -914.482410 where: bonds (distance) C4'-P energy: -162.054 bonds (distance) P-C4' energy: -169.803 flat angles C4'-P-C4' energy: -191.191 flat angles P-C4'-P energy: -116.337 tors. eta vs tors. theta energy: -275.097 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: 5 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -3007.996746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.996746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.996746 (E_RNA) where: Base-Base interactions energy: -2088.450 where: short stacking energy: -896.584 Base-Backbone interact. energy: -3.138 local terms energy: -916.408095 where: bonds (distance) C4'-P energy: -167.900 bonds (distance) P-C4' energy: -161.001 flat angles C4'-P-C4' energy: -196.292 flat angles P-C4'-P energy: -120.765 tors. eta vs tors. theta energy: -270.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -2898.784669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.784669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.784669 (E_RNA) where: Base-Base interactions energy: -2019.367 where: short stacking energy: -868.610 Base-Backbone interact. energy: -3.776 local terms energy: -875.641413 where: bonds (distance) C4'-P energy: -153.670 bonds (distance) P-C4' energy: -161.461 flat angles C4'-P-C4' energy: -196.357 flat angles P-C4'-P energy: -109.024 tors. eta vs tors. theta energy: -255.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2813.698581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.698581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.698581 (E_RNA) where: Base-Base interactions energy: -1948.790 where: short stacking energy: -842.760 Base-Backbone interact. energy: -1.232 local terms energy: -863.677252 where: bonds (distance) C4'-P energy: -142.923 bonds (distance) P-C4' energy: -171.076 flat angles C4'-P-C4' energy: -187.111 flat angles P-C4'-P energy: -109.074 tors. eta vs tors. theta energy: -253.494 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: 4 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2656.915265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.915265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.915265 (E_RNA) where: Base-Base interactions energy: -1877.696 where: short stacking energy: -800.085 Base-Backbone interact. energy: -4.415 local terms energy: -774.804245 where: bonds (distance) C4'-P energy: -137.454 bonds (distance) P-C4' energy: -140.989 flat angles C4'-P-C4' energy: -161.324 flat angles P-C4'-P energy: -123.967 tors. eta vs tors. theta energy: -211.070 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: 7 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2465.490658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.490658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.490658 (E_RNA) where: Base-Base interactions energy: -1705.484 where: short stacking energy: -749.676 Base-Backbone interact. energy: 5.127 local terms energy: -765.133604 where: bonds (distance) C4'-P energy: -146.582 bonds (distance) P-C4' energy: -162.652 flat angles C4'-P-C4' energy: -154.693 flat angles P-C4'-P energy: -101.335 tors. eta vs tors. theta energy: -199.870 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: 2 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -2384.101300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.101300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.101300 (E_RNA) where: Base-Base interactions energy: -1661.051 where: short stacking energy: -733.522 Base-Backbone interact. energy: -2.486 local terms energy: -720.563749 where: bonds (distance) C4'-P energy: -134.220 bonds (distance) P-C4' energy: -119.382 flat angles C4'-P-C4' energy: -150.533 flat angles P-C4'-P energy: -105.971 tors. eta vs tors. theta energy: -210.458 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: 8, replica: 1 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -2070.924618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.924618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.924618 (E_RNA) where: Base-Base interactions energy: -1381.647 where: short stacking energy: -597.957 Base-Backbone interact. energy: -3.585 local terms energy: -685.693097 where: bonds (distance) C4'-P energy: -135.880 bonds (distance) P-C4' energy: -155.740 flat angles C4'-P-C4' energy: -145.444 flat angles P-C4'-P energy: -94.020 tors. eta vs tors. theta energy: -154.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1599.745427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.745427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.745427 (E_RNA) where: Base-Base interactions energy: -1054.227 where: short stacking energy: -450.104 Base-Backbone interact. energy: -4.832 local terms energy: -540.686921 where: bonds (distance) C4'-P energy: -129.034 bonds (distance) P-C4' energy: -116.713 flat angles C4'-P-C4' energy: -129.284 flat angles P-C4'-P energy: -77.749 tors. eta vs tors. theta energy: -87.908 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: 9 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -1089.683947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.683947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.683947 (E_RNA) where: Base-Base interactions energy: -598.688 where: short stacking energy: -299.549 Base-Backbone interact. energy: -3.343 local terms energy: -487.652511 where: bonds (distance) C4'-P energy: -126.211 bonds (distance) P-C4' energy: -153.768 flat angles C4'-P-C4' energy: -128.115 flat angles P-C4'-P energy: -73.194 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: 3 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -3142.587554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.587554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.587554 (E_RNA) where: Base-Base interactions energy: -2208.286 where: short stacking energy: -938.158 Base-Backbone interact. energy: -0.961 local terms energy: -933.340513 where: bonds (distance) C4'-P energy: -167.345 bonds (distance) P-C4' energy: -162.004 flat angles C4'-P-C4' energy: -196.828 flat angles P-C4'-P energy: -121.950 tors. eta vs tors. theta energy: -285.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2999.581465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.581465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.581465 (E_RNA) where: Base-Base interactions energy: -2093.702 where: short stacking energy: -914.382 Base-Backbone interact. energy: -3.094 local terms energy: -902.785675 where: bonds (distance) C4'-P energy: -164.931 bonds (distance) P-C4' energy: -149.572 flat angles C4'-P-C4' energy: -190.760 flat angles P-C4'-P energy: -121.022 tors. eta vs tors. theta energy: -276.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2870.279382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.279382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.279382 (E_RNA) where: Base-Base interactions energy: -2013.550 where: short stacking energy: -869.353 Base-Backbone interact. energy: 2.879 local terms energy: -859.608021 where: bonds (distance) C4'-P energy: -156.210 bonds (distance) P-C4' energy: -161.874 flat angles C4'-P-C4' energy: -165.072 flat angles P-C4'-P energy: -126.790 tors. eta vs tors. theta energy: -249.662 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: 4, replica: 8 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2792.098351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.098351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.098351 (E_RNA) where: Base-Base interactions energy: -1930.054 where: short stacking energy: -862.268 Base-Backbone interact. energy: -0.321 local terms energy: -861.723404 where: bonds (distance) C4'-P energy: -148.173 bonds (distance) P-C4' energy: -163.618 flat angles C4'-P-C4' energy: -185.608 flat angles P-C4'-P energy: -118.359 tors. eta vs tors. theta energy: -245.965 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: 4 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2682.703015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.703015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.703015 (E_RNA) where: Base-Base interactions energy: -1893.570 where: short stacking energy: -794.283 Base-Backbone interact. energy: -3.802 local terms energy: -785.330783 where: bonds (distance) C4'-P energy: -123.564 bonds (distance) P-C4' energy: -157.144 flat angles C4'-P-C4' energy: -172.753 flat angles P-C4'-P energy: -101.505 tors. eta vs tors. theta energy: -230.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2493.738213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.738213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.738213 (E_RNA) where: Base-Base interactions energy: -1723.783 where: short stacking energy: -771.479 Base-Backbone interact. energy: -0.721 local terms energy: -769.234087 where: bonds (distance) C4'-P energy: -150.391 bonds (distance) P-C4' energy: -138.957 flat angles C4'-P-C4' energy: -173.744 flat angles P-C4'-P energy: -96.059 tors. eta vs tors. theta energy: -210.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -2375.691551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.691551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.691551 (E_RNA) where: Base-Base interactions energy: -1663.330 where: short stacking energy: -721.460 Base-Backbone interact. energy: -1.943 local terms energy: -710.418857 where: bonds (distance) C4'-P energy: -124.440 bonds (distance) P-C4' energy: -143.879 flat angles C4'-P-C4' energy: -159.698 flat angles P-C4'-P energy: -90.433 tors. eta vs tors. theta energy: -191.968 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: 1 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -2124.668677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.668677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.668677 (E_RNA) where: Base-Base interactions energy: -1480.947 where: short stacking energy: -602.508 Base-Backbone interact. energy: -5.095 local terms energy: -638.627393 where: bonds (distance) C4'-P energy: -113.170 bonds (distance) P-C4' energy: -128.175 flat angles C4'-P-C4' energy: -143.250 flat angles P-C4'-P energy: -93.369 tors. eta vs tors. theta energy: -160.663 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: 10 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1668.202655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.202655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.202655 (E_RNA) where: Base-Base interactions energy: -1124.504 where: short stacking energy: -493.986 Base-Backbone interact. energy: -2.061 local terms energy: -541.637979 where: bonds (distance) C4'-P energy: -112.591 bonds (distance) P-C4' energy: -130.674 flat angles C4'-P-C4' energy: -133.317 flat angles P-C4'-P energy: -86.660 tors. eta vs tors. theta energy: -78.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -1062.549384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.549384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.549384 (E_RNA) where: Base-Base interactions energy: -605.745 where: short stacking energy: -338.070 Base-Backbone interact. energy: 2.411 local terms energy: -459.215001 where: bonds (distance) C4'-P energy: -129.790 bonds (distance) P-C4' energy: -116.420 flat angles C4'-P-C4' energy: -101.452 flat angles P-C4'-P energy: -82.599 tors. eta vs tors. theta energy: -28.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -3152.121934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.121934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.121934 (E_RNA) where: Base-Base interactions energy: -2203.117 where: short stacking energy: -930.653 Base-Backbone interact. energy: -2.639 local terms energy: -946.366367 where: bonds (distance) C4'-P energy: -172.607 bonds (distance) P-C4' energy: -177.116 flat angles C4'-P-C4' energy: -193.842 flat angles P-C4'-P energy: -121.781 tors. eta vs tors. theta energy: -281.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -3050.856142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.856142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.856142 (E_RNA) where: Base-Base interactions energy: -2120.092 where: short stacking energy: -939.382 Base-Backbone interact. energy: -4.429 local terms energy: -926.334763 where: bonds (distance) C4'-P energy: -175.163 bonds (distance) P-C4' energy: -167.432 flat angles C4'-P-C4' energy: -186.040 flat angles P-C4'-P energy: -117.625 tors. eta vs tors. theta energy: -280.075 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: 6 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2875.659740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.659740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.659740 (E_RNA) where: Base-Base interactions energy: -2032.495 where: short stacking energy: -861.331 Base-Backbone interact. energy: 1.896 local terms energy: -845.061192 where: bonds (distance) C4'-P energy: -162.037 bonds (distance) P-C4' energy: -129.379 flat angles C4'-P-C4' energy: -186.368 flat angles P-C4'-P energy: -130.734 tors. eta vs tors. theta energy: -236.544 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: 8 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2818.208218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.208218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.208218 (E_RNA) where: Base-Base interactions energy: -1966.523 where: short stacking energy: -867.358 Base-Backbone interact. energy: -3.058 local terms energy: -848.626809 where: bonds (distance) C4'-P energy: -140.568 bonds (distance) P-C4' energy: -163.691 flat angles C4'-P-C4' energy: -179.460 flat angles P-C4'-P energy: -120.047 tors. eta vs tors. theta energy: -244.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2686.719004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.719004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.719004 (E_RNA) where: Base-Base interactions energy: -1865.975 where: short stacking energy: -803.422 Base-Backbone interact. energy: -3.401 local terms energy: -817.343223 where: bonds (distance) C4'-P energy: -143.881 bonds (distance) P-C4' energy: -149.195 flat angles C4'-P-C4' energy: -165.828 flat angles P-C4'-P energy: -120.310 tors. eta vs tors. theta energy: -238.130 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: 6, replica: 2 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2530.853020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.853020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.853020 (E_RNA) where: Base-Base interactions energy: -1771.539 where: short stacking energy: -792.060 Base-Backbone interact. energy: -3.654 local terms energy: -755.659757 where: bonds (distance) C4'-P energy: -130.329 bonds (distance) P-C4' energy: -149.242 flat angles C4'-P-C4' energy: -159.972 flat angles P-C4'-P energy: -101.991 tors. eta vs tors. theta energy: -214.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -2410.908151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.908151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.908151 (E_RNA) where: Base-Base interactions energy: -1688.778 where: short stacking energy: -710.468 Base-Backbone interact. energy: -1.786 local terms energy: -720.343848 where: bonds (distance) C4'-P energy: -133.934 bonds (distance) P-C4' energy: -136.636 flat angles C4'-P-C4' energy: -157.786 flat angles P-C4'-P energy: -103.523 tors. eta vs tors. theta energy: -188.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -2124.906256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.906256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.906256 (E_RNA) where: Base-Base interactions energy: -1476.808 where: short stacking energy: -608.134 Base-Backbone interact. energy: 4.237 local terms energy: -652.335212 where: bonds (distance) C4'-P energy: -131.014 bonds (distance) P-C4' energy: -128.503 flat angles C4'-P-C4' energy: -142.566 flat angles P-C4'-P energy: -89.561 tors. eta vs tors. theta energy: -160.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1680.531907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.531907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.531907 (E_RNA) where: Base-Base interactions energy: -1086.369 where: short stacking energy: -506.020 Base-Backbone interact. energy: -2.476 local terms energy: -591.687367 where: bonds (distance) C4'-P energy: -130.800 bonds (distance) P-C4' energy: -152.254 flat angles C4'-P-C4' energy: -111.748 flat angles P-C4'-P energy: -92.098 tors. eta vs tors. theta energy: -104.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -1055.911213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.911213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.911213 (E_RNA) where: Base-Base interactions energy: -568.395 where: short stacking energy: -317.204 Base-Backbone interact. energy: 3.082 local terms energy: -490.599140 where: bonds (distance) C4'-P energy: -125.146 bonds (distance) P-C4' energy: -152.659 flat angles C4'-P-C4' energy: -131.398 flat angles P-C4'-P energy: -61.697 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: 3 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -3130.770807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.770807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.770807 (E_RNA) where: Base-Base interactions energy: -2189.087 where: short stacking energy: -930.795 Base-Backbone interact. energy: -8.956 local terms energy: -932.727630 where: bonds (distance) C4'-P energy: -169.918 bonds (distance) P-C4' energy: -168.995 flat angles C4'-P-C4' energy: -184.759 flat angles P-C4'-P energy: -121.241 tors. eta vs tors. theta energy: -287.814 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: 5 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -3020.092075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.092075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.092075 (E_RNA) where: Base-Base interactions energy: -2092.213 where: short stacking energy: -919.704 Base-Backbone interact. energy: -4.658 local terms energy: -923.220254 where: bonds (distance) C4'-P energy: -160.343 bonds (distance) P-C4' energy: -170.806 flat angles C4'-P-C4' energy: -195.266 flat angles P-C4'-P energy: -125.235 tors. eta vs tors. theta energy: -271.571 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: 501 Temperature: 1.000000 Total energy: -2876.463191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.463191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.463191 (E_RNA) where: Base-Base interactions energy: -2036.731 where: short stacking energy: -869.554 Base-Backbone interact. energy: 3.216 local terms energy: -842.948618 where: bonds (distance) C4'-P energy: -151.880 bonds (distance) P-C4' energy: -138.435 flat angles C4'-P-C4' energy: -187.005 flat angles P-C4'-P energy: -114.389 tors. eta vs tors. theta energy: -251.240 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: 8 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2770.277614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.277614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.277614 (E_RNA) where: Base-Base interactions energy: -1936.087 where: short stacking energy: -818.123 Base-Backbone interact. energy: -0.471 local terms energy: -833.719759 where: bonds (distance) C4'-P energy: -140.585 bonds (distance) P-C4' energy: -147.241 flat angles C4'-P-C4' energy: -180.065 flat angles P-C4'-P energy: -129.317 tors. eta vs tors. theta energy: -236.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2679.462584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.462584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.462584 (E_RNA) where: Base-Base interactions energy: -1866.426 where: short stacking energy: -813.788 Base-Backbone interact. energy: -0.249 local terms energy: -812.787073 where: bonds (distance) C4'-P energy: -130.841 bonds (distance) P-C4' energy: -161.610 flat angles C4'-P-C4' energy: -173.318 flat angles P-C4'-P energy: -118.355 tors. eta vs tors. theta energy: -228.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2494.555842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.555842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.555842 (E_RNA) where: Base-Base interactions energy: -1731.935 where: short stacking energy: -759.966 Base-Backbone interact. energy: 1.125 local terms energy: -763.745964 where: bonds (distance) C4'-P energy: -139.552 bonds (distance) P-C4' energy: -140.688 flat angles C4'-P-C4' energy: -171.488 flat angles P-C4'-P energy: -107.933 tors. eta vs tors. theta energy: -204.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -2424.337001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.337001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.337001 (E_RNA) where: Base-Base interactions energy: -1667.721 where: short stacking energy: -740.267 Base-Backbone interact. energy: 3.556 local terms energy: -760.172077 where: bonds (distance) C4'-P energy: -149.086 bonds (distance) P-C4' energy: -140.026 flat angles C4'-P-C4' energy: -156.019 flat angles P-C4'-P energy: -112.035 tors. eta vs tors. theta energy: -203.006 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: 1 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -2168.741824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.741824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.741824 (E_RNA) where: Base-Base interactions energy: -1457.163 where: short stacking energy: -635.998 Base-Backbone interact. energy: -2.915 local terms energy: -708.663706 where: bonds (distance) C4'-P energy: -124.557 bonds (distance) P-C4' energy: -142.501 flat angles C4'-P-C4' energy: -158.682 flat angles P-C4'-P energy: -119.506 tors. eta vs tors. theta energy: -163.418 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: 10 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1671.070998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.070998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.070998 (E_RNA) where: Base-Base interactions energy: -1066.505 where: short stacking energy: -469.126 Base-Backbone interact. energy: -3.644 local terms energy: -600.922351 where: bonds (distance) C4'-P energy: -145.937 bonds (distance) P-C4' energy: -146.758 flat angles C4'-P-C4' energy: -141.076 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -105.315 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: 10, replica: 9 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -998.173588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.173588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.173588 (E_RNA) where: Base-Base interactions energy: -534.773 where: short stacking energy: -275.875 Base-Backbone interact. energy: -2.038 local terms energy: -461.362783 where: bonds (distance) C4'-P energy: -122.301 bonds (distance) P-C4' energy: -148.663 flat angles C4'-P-C4' energy: -116.373 flat angles P-C4'-P energy: -70.758 tors. eta vs tors. theta energy: -3.269 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) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 105497265 moves confirmed later: 109786809 all moves confirmed: 215284074 percent of confirmed moves: 26.910509 current total energy: -3085.156490 recalc. total energy: -3085.156490 replica 5 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 114612874 moves confirmed later: 121160645 all moves confirmed: 235773519 percent of confirmed moves: 29.471690 current total energy: -2915.533734 recalc. total energy: -2915.533734 replica 8 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 139073124 moves confirmed later: 153512241 all moves confirmed: 292585365 percent of confirmed moves: 36.573171 current total energy: -2643.396229 recalc. total energy: -2643.396229 replica 6 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 154100475 moves confirmed later: 172888878 all moves confirmed: 326989353 percent of confirmed moves: 40.873669 current total energy: -2654.965096 recalc. total energy: -2654.965096 replica 4 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 116705769 moves confirmed later: 124071223 all moves confirmed: 240776992 percent of confirmed moves: 30.097124 current total energy: -2577.721651 recalc. total energy: -2577.721651 replica 7 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 140548441 moves confirmed later: 155098981 all moves confirmed: 295647422 percent of confirmed moves: 36.955928 current total energy: -2356.884967 recalc. total energy: -2356.884967 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 134305825 moves confirmed later: 147022064 all moves confirmed: 281327889 percent of confirmed moves: 35.165986 current total energy: -2272.412023 recalc. total energy: -2272.412023 replica 1 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 170683228 moves confirmed later: 194761160 all moves confirmed: 365444388 percent of confirmed moves: 45.680549 current total energy: -1959.149165 recalc. total energy: -1959.149165 replica 10 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 254686508 moves confirmed later: 304279180 all moves confirmed: 558965688 percent of confirmed moves: 69.870711 current total energy: -1427.675733 recalc. total energy: -1427.675733 replica 9 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 259699416 moves confirmed later: 310700023 all moves confirmed: 570399439 percent of confirmed moves: 71.299930 current total energy: -784.670441 recalc. total energy: -784.670441 out arg RESULTS//1/seq4-d39987ee_01 Time of doing 8000000 iterations: 50393.742 seconds