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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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/D1_denv2_RNAcomposer-2a080abf/inputs/struct.pdb number of recognized chains: 1 chain 'A' contains: 176 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 176 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: 885 n_atoms_counter: 885 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 176.000000 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: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 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: 1 Temperature: 1.050000 Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1972.278210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.278210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.278210 (E_RNA) where: Base-Base interactions energy: -1370.618 where: short stacking energy: -579.649 Base-Backbone interact. energy: -2.441 local terms energy: -599.218582 where: bonds (distance) C4'-P energy: -90.836 bonds (distance) P-C4' energy: -142.455 flat angles C4'-P-C4' energy: -121.176 flat angles P-C4'-P energy: -84.415 tors. eta vs tors. theta energy: -160.337 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1977.323416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.323416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.323416 (E_RNA) where: Base-Base interactions energy: -1369.539 where: short stacking energy: -581.860 Base-Backbone interact. energy: -2.610 local terms energy: -605.174986 where: bonds (distance) C4'-P energy: -94.702 bonds (distance) P-C4' energy: -141.271 flat angles C4'-P-C4' energy: -122.811 flat angles P-C4'-P energy: -85.930 tors. eta vs tors. theta energy: -160.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1978.839644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.839644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.839644 (E_RNA) where: Base-Base interactions energy: -1371.013 where: short stacking energy: -576.964 Base-Backbone interact. energy: -3.528 local terms energy: -604.297809 where: bonds (distance) C4'-P energy: -108.238 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -125.182 flat angles P-C4'-P energy: -86.489 tors. eta vs tors. theta energy: -158.165 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1977.260261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.260261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.260261 (E_RNA) where: Base-Base interactions energy: -1370.122 where: short stacking energy: -581.085 Base-Backbone interact. energy: -2.898 local terms energy: -604.239777 where: bonds (distance) C4'-P energy: -94.714 bonds (distance) P-C4' energy: -142.352 flat angles C4'-P-C4' energy: -120.966 flat angles P-C4'-P energy: -85.976 tors. eta vs tors. theta energy: -160.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1973.824688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.824688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.824688 (E_RNA) where: Base-Base interactions energy: -1369.725 where: short stacking energy: -580.798 Base-Backbone interact. energy: -3.017 local terms energy: -601.082100 where: bonds (distance) C4'-P energy: -93.480 bonds (distance) P-C4' energy: -139.271 flat angles C4'-P-C4' energy: -122.079 flat angles P-C4'-P energy: -86.187 tors. eta vs tors. theta energy: -160.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1977.267684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.267684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.267684 (E_RNA) where: Base-Base interactions energy: -1372.822 where: short stacking energy: -581.816 Base-Backbone interact. energy: -2.816 local terms energy: -601.629796 where: bonds (distance) C4'-P energy: -93.618 bonds (distance) P-C4' energy: -139.309 flat angles C4'-P-C4' energy: -120.986 flat angles P-C4'-P energy: -87.383 tors. eta vs tors. theta energy: -160.334 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: 2 Temperature: 1.150000 Total energy: -1974.650268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.650268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.650268 (E_RNA) where: Base-Base interactions energy: -1371.536 where: short stacking energy: -581.959 Base-Backbone interact. energy: -2.825 local terms energy: -600.289001 where: bonds (distance) C4'-P energy: -92.905 bonds (distance) P-C4' energy: -139.623 flat angles C4'-P-C4' energy: -120.831 flat angles P-C4'-P energy: -87.490 tors. eta vs tors. theta energy: -159.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1972.694667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.694667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.694667 (E_RNA) where: Base-Base interactions energy: -1371.222 where: short stacking energy: -582.708 Base-Backbone interact. energy: -3.268 local terms energy: -598.204681 where: bonds (distance) C4'-P energy: -92.218 bonds (distance) P-C4' energy: -137.634 flat angles C4'-P-C4' energy: -121.799 flat angles P-C4'-P energy: -87.084 tors. eta vs tors. theta energy: -159.470 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1974.489392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.489392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.489392 (E_RNA) where: Base-Base interactions energy: -1370.503 where: short stacking energy: -582.514 Base-Backbone interact. energy: -3.138 local terms energy: -600.848268 where: bonds (distance) C4'-P energy: -92.574 bonds (distance) P-C4' energy: -139.603 flat angles C4'-P-C4' energy: -122.664 flat angles P-C4'-P energy: -86.638 tors. eta vs tors. theta energy: -159.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1974.585465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.585465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.585465 (E_RNA) where: Base-Base interactions energy: -1371.699 where: short stacking energy: -581.746 Base-Backbone interact. energy: -3.138 local terms energy: -599.748014 where: bonds (distance) C4'-P energy: -91.849 bonds (distance) P-C4' energy: -140.054 flat angles C4'-P-C4' energy: -122.698 flat angles P-C4'-P energy: -85.661 tors. eta vs tors. theta energy: -159.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1974.357436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.357436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.357436 (E_RNA) where: Base-Base interactions energy: -1369.867 where: short stacking energy: -581.946 Base-Backbone interact. energy: -3.324 local terms energy: -601.166559 where: bonds (distance) C4'-P energy: -92.321 bonds (distance) P-C4' energy: -140.057 flat angles C4'-P-C4' energy: -123.266 flat angles P-C4'-P energy: -86.092 tors. eta vs tors. theta energy: -159.432 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1877.811721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.811721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.811721 (E_RNA) where: Base-Base interactions energy: -1309.103 where: short stacking energy: -541.448 Base-Backbone interact. energy: -2.694 local terms energy: -566.014432 where: bonds (distance) C4'-P energy: -97.133 bonds (distance) P-C4' energy: -105.255 flat angles C4'-P-C4' energy: -124.623 flat angles P-C4'-P energy: -81.814 tors. eta vs tors. theta energy: -157.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1799.923841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.923841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.923841 (E_RNA) where: Base-Base interactions energy: -1243.461 where: short stacking energy: -500.908 Base-Backbone interact. energy: -2.291 local terms energy: -554.171915 where: bonds (distance) C4'-P energy: -105.100 bonds (distance) P-C4' energy: -103.516 flat angles C4'-P-C4' energy: -111.153 flat angles P-C4'-P energy: -78.548 tors. eta vs tors. theta energy: -155.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1761.666658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.666658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.666658 (E_RNA) where: Base-Base interactions energy: -1201.471 where: short stacking energy: -499.032 Base-Backbone interact. energy: -2.060 local terms energy: -558.136122 where: bonds (distance) C4'-P energy: -114.091 bonds (distance) P-C4' energy: -96.069 flat angles C4'-P-C4' energy: -121.757 flat angles P-C4'-P energy: -86.358 tors. eta vs tors. theta energy: -139.861 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1749.864181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.864181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.864181 (E_RNA) where: Base-Base interactions energy: -1197.242 where: short stacking energy: -499.595 Base-Backbone interact. energy: -3.926 local terms energy: -548.695765 where: bonds (distance) C4'-P energy: -95.147 bonds (distance) P-C4' energy: -109.290 flat angles C4'-P-C4' energy: -121.310 flat angles P-C4'-P energy: -72.139 tors. eta vs tors. theta energy: -150.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1604.312857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.312857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.312857 (E_RNA) where: Base-Base interactions energy: -1119.788 where: short stacking energy: -453.146 Base-Backbone interact. energy: -0.967 local terms energy: -483.558811 where: bonds (distance) C4'-P energy: -85.748 bonds (distance) P-C4' energy: -93.003 flat angles C4'-P-C4' energy: -113.457 flat angles P-C4'-P energy: -62.915 tors. eta vs tors. theta energy: -128.435 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: 3 Temperature: 1.150000 Total energy: -1569.337612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.337612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.337612 (E_RNA) where: Base-Base interactions energy: -1087.900 where: short stacking energy: -458.989 Base-Backbone interact. energy: -4.508 local terms energy: -476.928970 where: bonds (distance) C4'-P energy: -96.312 bonds (distance) P-C4' energy: -96.110 flat angles C4'-P-C4' energy: -105.347 flat angles P-C4'-P energy: -60.731 tors. eta vs tors. theta energy: -118.428 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: 3 Temperature: 1.200000 Total energy: -1541.739145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.739145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.739145 (E_RNA) where: Base-Base interactions energy: -1086.399 where: short stacking energy: -443.179 Base-Backbone interact. energy: -0.069 local terms energy: -455.271027 where: bonds (distance) C4'-P energy: -90.474 bonds (distance) P-C4' energy: -75.582 flat angles C4'-P-C4' energy: -99.009 flat angles P-C4'-P energy: -62.730 tors. eta vs tors. theta energy: -127.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -1396.762214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.762214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.762214 (E_RNA) where: Base-Base interactions energy: -958.667 where: short stacking energy: -417.905 Base-Backbone interact. energy: 2.605 local terms energy: -440.701120 where: bonds (distance) C4'-P energy: -91.155 bonds (distance) P-C4' energy: -65.480 flat angles C4'-P-C4' energy: -110.640 flat angles P-C4'-P energy: -58.738 tors. eta vs tors. theta energy: -114.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -1284.447130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.447130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.447130 (E_RNA) where: Base-Base interactions energy: -842.465 where: short stacking energy: -361.100 Base-Backbone interact. energy: -0.737 local terms energy: -441.245137 where: bonds (distance) C4'-P energy: -85.288 bonds (distance) P-C4' energy: -107.594 flat angles C4'-P-C4' energy: -85.015 flat angles P-C4'-P energy: -70.612 tors. eta vs tors. theta energy: -92.736 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: 3 Temperature: 1.350000 Total energy: -1267.728219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.728219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.728219 (E_RNA) where: Base-Base interactions energy: -887.149 where: short stacking energy: -350.663 Base-Backbone interact. energy: -1.143 local terms energy: -379.436762 where: bonds (distance) C4'-P energy: -74.050 bonds (distance) P-C4' energy: -97.117 flat angles C4'-P-C4' energy: -78.641 flat angles P-C4'-P energy: -49.111 tors. eta vs tors. theta energy: -80.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1880.806267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.806267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.806267 (E_RNA) where: Base-Base interactions energy: -1316.268 where: short stacking energy: -552.987 Base-Backbone interact. energy: -0.841 local terms energy: -563.698117 where: bonds (distance) C4'-P energy: -111.874 bonds (distance) P-C4' energy: -108.776 flat angles C4'-P-C4' energy: -128.739 flat angles P-C4'-P energy: -60.371 tors. eta vs tors. theta energy: -153.938 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1775.921117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.921117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.921117 (E_RNA) where: Base-Base interactions energy: -1237.271 where: short stacking energy: -515.248 Base-Backbone interact. energy: -3.439 local terms energy: -535.211718 where: bonds (distance) C4'-P energy: -97.150 bonds (distance) P-C4' energy: -104.079 flat angles C4'-P-C4' energy: -106.818 flat angles P-C4'-P energy: -81.315 tors. eta vs tors. theta energy: -145.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1767.306463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.306463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.306463 (E_RNA) where: Base-Base interactions energy: -1204.826 where: short stacking energy: -490.807 Base-Backbone interact. energy: -3.389 local terms energy: -559.091360 where: bonds (distance) C4'-P energy: -102.251 bonds (distance) P-C4' energy: -109.033 flat angles C4'-P-C4' energy: -121.905 flat angles P-C4'-P energy: -78.685 tors. eta vs tors. theta energy: -147.218 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: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1715.911564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.911564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.911564 (E_RNA) where: Base-Base interactions energy: -1179.017 where: short stacking energy: -490.984 Base-Backbone interact. energy: -5.167 local terms energy: -531.727917 where: bonds (distance) C4'-P energy: -96.417 bonds (distance) P-C4' energy: -91.531 flat angles C4'-P-C4' energy: -119.879 flat angles P-C4'-P energy: -86.751 tors. eta vs tors. theta energy: -137.150 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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1641.038003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.038003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.038003 (E_RNA) where: Base-Base interactions energy: -1105.954 where: short stacking energy: -458.262 Base-Backbone interact. energy: -2.039 local terms energy: -533.045389 where: bonds (distance) C4'-P energy: -95.833 bonds (distance) P-C4' energy: -103.466 flat angles C4'-P-C4' energy: -115.576 flat angles P-C4'-P energy: -78.718 tors. eta vs tors. theta energy: -139.452 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: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1592.651378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.651378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.651378 (E_RNA) where: Base-Base interactions energy: -1103.540 where: short stacking energy: -460.900 Base-Backbone interact. energy: -1.892 local terms energy: -487.219522 where: bonds (distance) C4'-P energy: -91.104 bonds (distance) P-C4' energy: -94.774 flat angles C4'-P-C4' energy: -111.054 flat angles P-C4'-P energy: -60.165 tors. eta vs tors. theta energy: -130.122 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: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -1460.286257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.286257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.286257 (E_RNA) where: Base-Base interactions energy: -1011.592 where: short stacking energy: -421.993 Base-Backbone interact. energy: -1.968 local terms energy: -446.726836 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -98.253 flat angles C4'-P-C4' energy: -87.953 flat angles P-C4'-P energy: -70.690 tors. eta vs tors. theta energy: -113.414 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -1390.114313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.114313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.114313 (E_RNA) where: Base-Base interactions energy: -949.211 where: short stacking energy: -367.195 Base-Backbone interact. energy: 3.367 local terms energy: -444.269888 where: bonds (distance) C4'-P energy: -82.276 bonds (distance) P-C4' energy: -97.373 flat angles C4'-P-C4' energy: -86.542 flat angles P-C4'-P energy: -81.780 tors. eta vs tors. theta energy: -96.298 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: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -1325.932450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.932450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.932450 (E_RNA) where: Base-Base interactions energy: -912.347 where: short stacking energy: -365.052 Base-Backbone interact. energy: 1.335 local terms energy: -414.920818 where: bonds (distance) C4'-P energy: -91.909 bonds (distance) P-C4' energy: -77.375 flat angles C4'-P-C4' energy: -113.518 flat angles P-C4'-P energy: -54.439 tors. eta vs tors. theta energy: -77.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -1242.134722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.134722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.134722 (E_RNA) where: Base-Base interactions energy: -851.029 where: short stacking energy: -357.573 Base-Backbone interact. energy: 0.985 local terms energy: -392.090934 where: bonds (distance) C4'-P energy: -85.209 bonds (distance) P-C4' energy: -76.749 flat angles C4'-P-C4' energy: -103.769 flat angles P-C4'-P energy: -51.663 tors. eta vs tors. theta energy: -74.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1899.416425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.416425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.416425 (E_RNA) where: Base-Base interactions energy: -1319.078 where: short stacking energy: -566.751 Base-Backbone interact. energy: -2.852 local terms energy: -577.486940 where: bonds (distance) C4'-P energy: -99.165 bonds (distance) P-C4' energy: -120.576 flat angles C4'-P-C4' energy: -121.478 flat angles P-C4'-P energy: -79.401 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: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1780.050118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.050118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.050118 (E_RNA) where: Base-Base interactions energy: -1210.097 where: short stacking energy: -492.010 Base-Backbone interact. energy: -2.470 local terms energy: -567.482742 where: bonds (distance) C4'-P energy: -110.110 bonds (distance) P-C4' energy: -117.478 flat angles C4'-P-C4' energy: -114.824 flat angles P-C4'-P energy: -78.623 tors. eta vs tors. theta energy: -146.448 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: 2 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1749.028651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.028651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.028651 (E_RNA) where: Base-Base interactions energy: -1192.420 where: short stacking energy: -497.964 Base-Backbone interact. energy: 1.630 local terms energy: -558.239112 where: bonds (distance) C4'-P energy: -116.515 bonds (distance) P-C4' energy: -103.282 flat angles C4'-P-C4' energy: -126.126 flat angles P-C4'-P energy: -65.730 tors. eta vs tors. theta energy: -146.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1731.228578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.228578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.228578 (E_RNA) where: Base-Base interactions energy: -1214.682 where: short stacking energy: -490.175 Base-Backbone interact. energy: -2.348 local terms energy: -514.199073 where: bonds (distance) C4'-P energy: -89.042 bonds (distance) P-C4' energy: -100.849 flat angles C4'-P-C4' energy: -104.733 flat angles P-C4'-P energy: -61.380 tors. eta vs tors. theta energy: -158.195 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: 5 Temperature: 1.100000 Total energy: -1621.218907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.218907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.218907 (E_RNA) where: Base-Base interactions energy: -1102.317 where: short stacking energy: -445.258 Base-Backbone interact. energy: -3.783 local terms energy: -515.119457 where: bonds (distance) C4'-P energy: -100.942 bonds (distance) P-C4' energy: -106.270 flat angles C4'-P-C4' energy: -105.662 flat angles P-C4'-P energy: -78.414 tors. eta vs tors. theta energy: -123.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1580.386894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.386894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.386894 (E_RNA) where: Base-Base interactions energy: -1099.199 where: short stacking energy: -451.844 Base-Backbone interact. energy: 0.080 local terms energy: -481.267674 where: bonds (distance) C4'-P energy: -92.135 bonds (distance) P-C4' energy: -75.882 flat angles C4'-P-C4' energy: -114.966 flat angles P-C4'-P energy: -71.828 tors. eta vs tors. theta energy: -126.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -1492.351359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.351359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.351359 (E_RNA) where: Base-Base interactions energy: -1010.992 where: short stacking energy: -400.818 Base-Backbone interact. energy: -1.556 local terms energy: -479.803212 where: bonds (distance) C4'-P energy: -100.922 bonds (distance) P-C4' energy: -109.308 flat angles C4'-P-C4' energy: -93.290 flat angles P-C4'-P energy: -69.213 tors. eta vs tors. theta energy: -107.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -1360.121772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.121772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.121772 (E_RNA) where: Base-Base interactions energy: -971.602 where: short stacking energy: -390.510 Base-Backbone interact. energy: -1.482 local terms energy: -387.037546 where: bonds (distance) C4'-P energy: -80.032 bonds (distance) P-C4' energy: -74.683 flat angles C4'-P-C4' energy: -90.087 flat angles P-C4'-P energy: -44.690 tors. eta vs tors. theta energy: -97.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -1338.469536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.469536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.469536 (E_RNA) where: Base-Base interactions energy: -904.398 where: short stacking energy: -374.881 Base-Backbone interact. energy: -0.443 local terms energy: -433.628253 where: bonds (distance) C4'-P energy: -80.293 bonds (distance) P-C4' energy: -79.972 flat angles C4'-P-C4' energy: -102.893 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -102.340 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: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -1188.342554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.342554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.342554 (E_RNA) where: Base-Base interactions energy: -767.189 where: short stacking energy: -327.459 Base-Backbone interact. energy: 0.616 local terms energy: -421.769717 where: bonds (distance) C4'-P energy: -87.771 bonds (distance) P-C4' energy: -89.277 flat angles C4'-P-C4' energy: -107.355 flat angles P-C4'-P energy: -59.188 tors. eta vs tors. theta energy: -78.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1875.805487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.805487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.805487 (E_RNA) where: Base-Base interactions energy: -1286.287 where: short stacking energy: -553.821 Base-Backbone interact. energy: -2.424 local terms energy: -587.095159 where: bonds (distance) C4'-P energy: -113.042 bonds (distance) P-C4' energy: -107.700 flat angles C4'-P-C4' energy: -115.768 flat angles P-C4'-P energy: -94.420 tors. eta vs tors. theta energy: -156.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1820.560852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.560852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.560852 (E_RNA) where: Base-Base interactions energy: -1247.646 where: short stacking energy: -519.217 Base-Backbone interact. energy: -0.969 local terms energy: -571.946482 where: bonds (distance) C4'-P energy: -105.411 bonds (distance) P-C4' energy: -95.071 flat angles C4'-P-C4' energy: -129.474 flat angles P-C4'-P energy: -88.093 tors. eta vs tors. theta energy: -153.897 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: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1787.844623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.844623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.844623 (E_RNA) where: Base-Base interactions energy: -1227.912 where: short stacking energy: -528.769 Base-Backbone interact. energy: -2.627 local terms energy: -557.305822 where: bonds (distance) C4'-P energy: -113.717 bonds (distance) P-C4' energy: -95.060 flat angles C4'-P-C4' energy: -114.925 flat angles P-C4'-P energy: -82.507 tors. eta vs tors. theta energy: -151.097 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: 6 Temperature: 1.050000 Total energy: -1731.414402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.414402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.414402 (E_RNA) where: Base-Base interactions energy: -1196.819 where: short stacking energy: -484.119 Base-Backbone interact. energy: -2.440 local terms energy: -532.155929 where: bonds (distance) C4'-P energy: -118.781 bonds (distance) P-C4' energy: -87.867 flat angles C4'-P-C4' energy: -108.336 flat angles P-C4'-P energy: -81.742 tors. eta vs tors. theta energy: -135.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1616.529396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.529396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.529396 (E_RNA) where: Base-Base interactions energy: -1118.540 where: short stacking energy: -467.823 Base-Backbone interact. energy: -1.706 local terms energy: -496.284108 where: bonds (distance) C4'-P energy: -93.289 bonds (distance) P-C4' energy: -94.702 flat angles C4'-P-C4' energy: -110.000 flat angles P-C4'-P energy: -65.178 tors. eta vs tors. theta energy: -133.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1554.651926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.651926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.651926 (E_RNA) where: Base-Base interactions energy: -1064.801 where: short stacking energy: -448.312 Base-Backbone interact. energy: 2.433 local terms energy: -492.283877 where: bonds (distance) C4'-P energy: -97.508 bonds (distance) P-C4' energy: -90.458 flat angles C4'-P-C4' energy: -117.020 flat angles P-C4'-P energy: -68.948 tors. eta vs tors. theta energy: -118.349 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: 6 Temperature: 1.200000 Total energy: -1498.318484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.318484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.318484 (E_RNA) where: Base-Base interactions energy: -1003.579 where: short stacking energy: -400.749 Base-Backbone interact. energy: 0.911 local terms energy: -495.650071 where: bonds (distance) C4'-P energy: -92.144 bonds (distance) P-C4' energy: -104.764 flat angles C4'-P-C4' energy: -106.728 flat angles P-C4'-P energy: -78.534 tors. eta vs tors. theta energy: -113.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -1388.177495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.177495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.177495 (E_RNA) where: Base-Base interactions energy: -947.780 where: short stacking energy: -369.298 Base-Backbone interact. energy: 1.027 local terms energy: -441.424935 where: bonds (distance) C4'-P energy: -85.321 bonds (distance) P-C4' energy: -94.974 flat angles C4'-P-C4' energy: -100.605 flat angles P-C4'-P energy: -67.336 tors. eta vs tors. theta energy: -93.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -1306.271245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.271245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.271245 (E_RNA) where: Base-Base interactions energy: -899.742 where: short stacking energy: -378.568 Base-Backbone interact. energy: -3.182 local terms energy: -403.347396 where: bonds (distance) C4'-P energy: -86.098 bonds (distance) P-C4' energy: -81.913 flat angles C4'-P-C4' energy: -78.972 flat angles P-C4'-P energy: -58.767 tors. eta vs tors. theta energy: -97.596 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: 9 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -1133.338795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.338795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.338795 (E_RNA) where: Base-Base interactions energy: -774.324 where: short stacking energy: -304.350 Base-Backbone interact. energy: -3.562 local terms energy: -355.452611 where: bonds (distance) C4'-P energy: -64.827 bonds (distance) P-C4' energy: -81.213 flat angles C4'-P-C4' energy: -87.272 flat angles P-C4'-P energy: -57.744 tors. eta vs tors. theta energy: -64.396 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1886.609855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.609855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.609855 (E_RNA) where: Base-Base interactions energy: -1315.600 where: short stacking energy: -550.098 Base-Backbone interact. energy: -1.643 local terms energy: -569.366301 where: bonds (distance) C4'-P energy: -104.810 bonds (distance) P-C4' energy: -102.579 flat angles C4'-P-C4' energy: -125.478 flat angles P-C4'-P energy: -75.078 tors. eta vs tors. theta energy: -161.421 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: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1822.078022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.078022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.078022 (E_RNA) where: Base-Base interactions energy: -1246.408 where: short stacking energy: -511.531 Base-Backbone interact. energy: -4.175 local terms energy: -571.495219 where: bonds (distance) C4'-P energy: -111.577 bonds (distance) P-C4' energy: -102.826 flat angles C4'-P-C4' energy: -112.670 flat angles P-C4'-P energy: -91.395 tors. eta vs tors. theta energy: -153.027 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: 7 Temperature: 1.000000 Total energy: -1760.038540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.038540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.038540 (E_RNA) where: Base-Base interactions energy: -1246.021 where: short stacking energy: -524.501 Base-Backbone interact. energy: -2.050 local terms energy: -511.968188 where: bonds (distance) C4'-P energy: -85.017 bonds (distance) P-C4' energy: -105.395 flat angles C4'-P-C4' energy: -101.825 flat angles P-C4'-P energy: -73.778 tors. eta vs tors. theta energy: -145.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1708.853771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.853771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.853771 (E_RNA) where: Base-Base interactions energy: -1168.153 where: short stacking energy: -468.834 Base-Backbone interact. energy: 2.778 local terms energy: -543.477961 where: bonds (distance) C4'-P energy: -101.854 bonds (distance) P-C4' energy: -115.608 flat angles C4'-P-C4' energy: -111.916 flat angles P-C4'-P energy: -76.168 tors. eta vs tors. theta energy: -137.932 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: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1634.770451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.770451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.770451 (E_RNA) where: Base-Base interactions energy: -1117.705 where: short stacking energy: -449.629 Base-Backbone interact. energy: -2.477 local terms energy: -514.588398 where: bonds (distance) C4'-P energy: -111.607 bonds (distance) P-C4' energy: -104.455 flat angles C4'-P-C4' energy: -106.624 flat angles P-C4'-P energy: -64.755 tors. eta vs tors. theta energy: -127.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1571.303417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.303417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.303417 (E_RNA) where: Base-Base interactions energy: -1095.525 where: short stacking energy: -483.646 Base-Backbone interact. energy: -1.695 local terms energy: -474.082881 where: bonds (distance) C4'-P energy: -89.120 bonds (distance) P-C4' energy: -97.530 flat angles C4'-P-C4' energy: -98.270 flat angles P-C4'-P energy: -61.735 tors. eta vs tors. theta energy: -127.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1437.834092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.834092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.834092 (E_RNA) where: Base-Base interactions energy: -954.506 where: short stacking energy: -375.119 Base-Backbone interact. energy: -0.630 local terms energy: -482.697846 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -113.457 flat angles C4'-P-C4' energy: -99.978 flat angles P-C4'-P energy: -69.919 tors. eta vs tors. theta energy: -94.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -1379.486416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.486416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.486416 (E_RNA) where: Base-Base interactions energy: -928.258 where: short stacking energy: -353.530 Base-Backbone interact. energy: 4.602 local terms energy: -455.830914 where: bonds (distance) C4'-P energy: -96.952 bonds (distance) P-C4' energy: -95.321 flat angles C4'-P-C4' energy: -107.065 flat angles P-C4'-P energy: -71.016 tors. eta vs tors. theta energy: -85.476 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: 9, replica: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -1199.654027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.654027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.654027 (E_RNA) where: Base-Base interactions energy: -813.952 where: short stacking energy: -332.466 Base-Backbone interact. energy: -0.591 local terms energy: -385.110309 where: bonds (distance) C4'-P energy: -71.353 bonds (distance) P-C4' energy: -93.613 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -56.636 tors. eta vs tors. theta energy: -73.686 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: 7 Temperature: 1.350000 Total energy: -1132.441132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.441132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.441132 (E_RNA) where: Base-Base interactions energy: -754.690 where: short stacking energy: -303.096 Base-Backbone interact. energy: -3.342 local terms energy: -374.409135 where: bonds (distance) C4'-P energy: -78.926 bonds (distance) P-C4' energy: -98.544 flat angles C4'-P-C4' energy: -85.341 flat angles P-C4'-P energy: -43.082 tors. eta vs tors. theta energy: -68.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1889.221583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.221583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.221583 (E_RNA) where: Base-Base interactions energy: -1309.145 where: short stacking energy: -529.730 Base-Backbone interact. energy: -2.612 local terms energy: -577.465219 where: bonds (distance) C4'-P energy: -108.607 bonds (distance) P-C4' energy: -114.824 flat angles C4'-P-C4' energy: -127.155 flat angles P-C4'-P energy: -69.572 tors. eta vs tors. theta energy: -157.308 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: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1813.186708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.186708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.186708 (E_RNA) where: Base-Base interactions energy: -1240.615 where: short stacking energy: -518.908 Base-Backbone interact. energy: -2.809 local terms energy: -569.763086 where: bonds (distance) C4'-P energy: -106.470 bonds (distance) P-C4' energy: -108.496 flat angles C4'-P-C4' energy: -126.783 flat angles P-C4'-P energy: -83.316 tors. eta vs tors. theta energy: -144.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1753.853402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.853402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.853402 (E_RNA) where: Base-Base interactions energy: -1220.293 where: short stacking energy: -523.489 Base-Backbone interact. energy: -0.220 local terms energy: -533.341237 where: bonds (distance) C4'-P energy: -103.503 bonds (distance) P-C4' energy: -98.035 flat angles C4'-P-C4' energy: -114.157 flat angles P-C4'-P energy: -76.514 tors. eta vs tors. theta energy: -141.132 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: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1694.302141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.302141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.302141 (E_RNA) where: Base-Base interactions energy: -1151.935 where: short stacking energy: -480.316 Base-Backbone interact. energy: -0.121 local terms energy: -542.246612 where: bonds (distance) C4'-P energy: -85.472 bonds (distance) P-C4' energy: -107.367 flat angles C4'-P-C4' energy: -125.843 flat angles P-C4'-P energy: -82.413 tors. eta vs tors. theta energy: -141.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1601.058037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.058037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.058037 (E_RNA) where: Base-Base interactions energy: -1099.989 where: short stacking energy: -441.486 Base-Backbone interact. energy: -1.358 local terms energy: -499.710891 where: bonds (distance) C4'-P energy: -80.385 bonds (distance) P-C4' energy: -115.236 flat angles C4'-P-C4' energy: -110.518 flat angles P-C4'-P energy: -74.579 tors. eta vs tors. theta energy: -118.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1544.545068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.545068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.545068 (E_RNA) where: Base-Base interactions energy: -1058.460 where: short stacking energy: -446.706 Base-Backbone interact. energy: -0.383 local terms energy: -485.702216 where: bonds (distance) C4'-P energy: -83.623 bonds (distance) P-C4' energy: -94.285 flat angles C4'-P-C4' energy: -108.378 flat angles P-C4'-P energy: -71.643 tors. eta vs tors. theta energy: -127.773 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: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1386.757026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.757026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.757026 (E_RNA) where: Base-Base interactions energy: -951.233 where: short stacking energy: -382.884 Base-Backbone interact. energy: -0.335 local terms energy: -435.188576 where: bonds (distance) C4'-P energy: -79.635 bonds (distance) P-C4' energy: -115.322 flat angles C4'-P-C4' energy: -89.734 flat angles P-C4'-P energy: -61.336 tors. eta vs tors. theta energy: -89.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -1401.953430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.953430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.953430 (E_RNA) where: Base-Base interactions energy: -963.547 where: short stacking energy: -396.175 Base-Backbone interact. energy: -1.349 local terms energy: -437.057050 where: bonds (distance) C4'-P energy: -96.555 bonds (distance) P-C4' energy: -100.559 flat angles C4'-P-C4' energy: -92.600 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -99.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -1188.031702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.031702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.031702 (E_RNA) where: Base-Base interactions energy: -805.169 where: short stacking energy: -345.218 Base-Backbone interact. energy: -1.642 local terms energy: -381.220410 where: bonds (distance) C4'-P energy: -76.619 bonds (distance) P-C4' energy: -93.987 flat angles C4'-P-C4' energy: -104.833 flat angles P-C4'-P energy: -43.567 tors. eta vs tors. theta energy: -62.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -1116.603321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.603321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.603321 (E_RNA) where: Base-Base interactions energy: -701.979 where: short stacking energy: -318.572 Base-Backbone interact. energy: 2.558 local terms energy: -417.182250 where: bonds (distance) C4'-P energy: -86.131 bonds (distance) P-C4' energy: -100.715 flat angles C4'-P-C4' energy: -96.113 flat angles P-C4'-P energy: -56.611 tors. eta vs tors. theta energy: -77.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1877.982059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.982059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.982059 (E_RNA) where: Base-Base interactions energy: -1278.439 where: short stacking energy: -533.149 Base-Backbone interact. energy: -3.882 local terms energy: -595.660926 where: bonds (distance) C4'-P energy: -118.233 bonds (distance) P-C4' energy: -110.753 flat angles C4'-P-C4' energy: -118.725 flat angles P-C4'-P energy: -85.783 tors. eta vs tors. theta energy: -162.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1810.887210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.887210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.887210 (E_RNA) where: Base-Base interactions energy: -1225.886 where: short stacking energy: -511.834 Base-Backbone interact. energy: -1.689 local terms energy: -583.312934 where: bonds (distance) C4'-P energy: -111.082 bonds (distance) P-C4' energy: -114.233 flat angles C4'-P-C4' energy: -128.278 flat angles P-C4'-P energy: -73.315 tors. eta vs tors. theta energy: -156.405 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: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1744.632052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.632052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.632052 (E_RNA) where: Base-Base interactions energy: -1188.906 where: short stacking energy: -520.443 Base-Backbone interact. energy: -1.699 local terms energy: -554.026895 where: bonds (distance) C4'-P energy: -104.654 bonds (distance) P-C4' energy: -96.616 flat angles C4'-P-C4' energy: -125.687 flat angles P-C4'-P energy: -74.275 tors. eta vs tors. theta energy: -152.796 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: 9 Temperature: 1.050000 Total energy: -1691.841631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.841631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.841631 (E_RNA) where: Base-Base interactions energy: -1191.389 where: short stacking energy: -489.637 Base-Backbone interact. energy: 1.730 local terms energy: -502.183111 where: bonds (distance) C4'-P energy: -100.785 bonds (distance) P-C4' energy: -99.654 flat angles C4'-P-C4' energy: -111.409 flat angles P-C4'-P energy: -56.392 tors. eta vs tors. theta energy: -133.942 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: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1599.897281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.897281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.897281 (E_RNA) where: Base-Base interactions energy: -1094.215 where: short stacking energy: -441.637 Base-Backbone interact. energy: -0.810 local terms energy: -504.872430 where: bonds (distance) C4'-P energy: -106.195 bonds (distance) P-C4' energy: -98.531 flat angles C4'-P-C4' energy: -93.428 flat angles P-C4'-P energy: -75.930 tors. eta vs tors. theta energy: -130.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1505.913701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.913701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.913701 (E_RNA) where: Base-Base interactions energy: -1022.286 where: short stacking energy: -395.378 Base-Backbone interact. energy: 1.379 local terms energy: -485.007046 where: bonds (distance) C4'-P energy: -110.629 bonds (distance) P-C4' energy: -96.095 flat angles C4'-P-C4' energy: -104.088 flat angles P-C4'-P energy: -67.937 tors. eta vs tors. theta energy: -106.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1444.996693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.996693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.996693 (E_RNA) where: Base-Base interactions energy: -1010.036 where: short stacking energy: -419.629 Base-Backbone interact. energy: -1.446 local terms energy: -433.515165 where: bonds (distance) C4'-P energy: -79.518 bonds (distance) P-C4' energy: -84.148 flat angles C4'-P-C4' energy: -94.778 flat angles P-C4'-P energy: -65.754 tors. eta vs tors. theta energy: -109.317 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: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1373.365743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.365743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.365743 (E_RNA) where: Base-Base interactions energy: -937.123 where: short stacking energy: -400.316 Base-Backbone interact. energy: -1.554 local terms energy: -434.688847 where: bonds (distance) C4'-P energy: -102.052 bonds (distance) P-C4' energy: -87.481 flat angles C4'-P-C4' energy: -93.792 flat angles P-C4'-P energy: -52.212 tors. eta vs tors. theta energy: -99.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -1234.940447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.940447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.940447 (E_RNA) where: Base-Base interactions energy: -835.897 where: short stacking energy: -340.310 Base-Backbone interact. energy: -2.143 local terms energy: -396.900619 where: bonds (distance) C4'-P energy: -92.220 bonds (distance) P-C4' energy: -76.692 flat angles C4'-P-C4' energy: -95.417 flat angles P-C4'-P energy: -59.181 tors. eta vs tors. theta energy: -73.391 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: 9 Temperature: 1.350000 Total energy: -1104.147331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.147331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.147331 (E_RNA) where: Base-Base interactions energy: -741.562 where: short stacking energy: -334.301 Base-Backbone interact. energy: -1.073 local terms energy: -361.512290 where: bonds (distance) C4'-P energy: -82.338 bonds (distance) P-C4' energy: -84.196 flat angles C4'-P-C4' energy: -86.070 flat angles P-C4'-P energy: -48.472 tors. eta vs tors. theta energy: -60.436 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: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1887.365137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.365137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.365137 (E_RNA) where: Base-Base interactions energy: -1320.667 where: short stacking energy: -541.952 Base-Backbone interact. energy: -1.354 local terms energy: -565.344329 where: bonds (distance) C4'-P energy: -92.891 bonds (distance) P-C4' energy: -114.657 flat angles C4'-P-C4' energy: -128.125 flat angles P-C4'-P energy: -79.574 tors. eta vs tors. theta energy: -150.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1815.650717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.650717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.650717 (E_RNA) where: Base-Base interactions energy: -1262.228 where: short stacking energy: -510.025 Base-Backbone interact. energy: -0.347 local terms energy: -553.075007 where: bonds (distance) C4'-P energy: -107.417 bonds (distance) P-C4' energy: -96.629 flat angles C4'-P-C4' energy: -117.774 flat angles P-C4'-P energy: -79.360 tors. eta vs tors. theta energy: -151.896 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: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1734.552790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.552790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.552790 (E_RNA) where: Base-Base interactions energy: -1190.085 where: short stacking energy: -513.855 Base-Backbone interact. energy: 0.115 local terms energy: -544.582488 where: bonds (distance) C4'-P energy: -90.426 bonds (distance) P-C4' energy: -106.796 flat angles C4'-P-C4' energy: -120.200 flat angles P-C4'-P energy: -74.525 tors. eta vs tors. theta energy: -152.636 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: 10 Temperature: 1.050000 Total energy: -1676.348627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.348627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.348627 (E_RNA) where: Base-Base interactions energy: -1161.720 where: short stacking energy: -492.273 Base-Backbone interact. energy: -2.380 local terms energy: -512.248584 where: bonds (distance) C4'-P energy: -100.138 bonds (distance) P-C4' energy: -104.939 flat angles C4'-P-C4' energy: -112.617 flat angles P-C4'-P energy: -64.396 tors. eta vs tors. theta energy: -130.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1590.007693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.007693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.007693 (E_RNA) where: Base-Base interactions energy: -1083.396 where: short stacking energy: -423.038 Base-Backbone interact. energy: -3.064 local terms energy: -503.547809 where: bonds (distance) C4'-P energy: -106.377 bonds (distance) P-C4' energy: -102.888 flat angles C4'-P-C4' energy: -105.219 flat angles P-C4'-P energy: -74.503 tors. eta vs tors. theta energy: -114.561 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: 7 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1457.412048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.412048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.412048 (E_RNA) where: Base-Base interactions energy: -991.100 where: short stacking energy: -416.082 Base-Backbone interact. energy: 2.454 local terms energy: -468.766135 where: bonds (distance) C4'-P energy: -89.560 bonds (distance) P-C4' energy: -90.526 flat angles C4'-P-C4' energy: -111.440 flat angles P-C4'-P energy: -63.033 tors. eta vs tors. theta energy: -114.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1404.085043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.085043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.085043 (E_RNA) where: Base-Base interactions energy: -957.552 where: short stacking energy: -384.477 Base-Backbone interact. energy: -1.956 local terms energy: -444.576578 where: bonds (distance) C4'-P energy: -87.237 bonds (distance) P-C4' energy: -96.527 flat angles C4'-P-C4' energy: -89.314 flat angles P-C4'-P energy: -79.367 tors. eta vs tors. theta energy: -92.132 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: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1339.547030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.547030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.547030 (E_RNA) where: Base-Base interactions energy: -948.509 where: short stacking energy: -376.562 Base-Backbone interact. energy: 2.638 local terms energy: -393.675772 where: bonds (distance) C4'-P energy: -86.717 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -93.735 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -69.547 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: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -1256.074576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.074576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.074576 (E_RNA) where: Base-Base interactions energy: -865.555 where: short stacking energy: -347.630 Base-Backbone interact. energy: -4.305 local terms energy: -386.214917 where: bonds (distance) C4'-P energy: -76.821 bonds (distance) P-C4' energy: -73.147 flat angles C4'-P-C4' energy: -97.498 flat angles P-C4'-P energy: -50.072 tors. eta vs tors. theta energy: -88.676 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: 10 Temperature: 1.350000 Total energy: -1106.942789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.942789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.942789 (E_RNA) where: Base-Base interactions energy: -721.632 where: short stacking energy: -308.161 Base-Backbone interact. energy: -3.448 local terms energy: -381.862669 where: bonds (distance) C4'-P energy: -79.749 bonds (distance) P-C4' energy: -84.597 flat angles C4'-P-C4' energy: -95.114 flat angles P-C4'-P energy: -66.390 tors. eta vs tors. theta energy: -56.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1872.857800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.857800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.857800 (E_RNA) where: Base-Base interactions energy: -1286.394 where: short stacking energy: -558.009 Base-Backbone interact. energy: -0.170 local terms energy: -586.293895 where: bonds (distance) C4'-P energy: -103.610 bonds (distance) P-C4' energy: -111.105 flat angles C4'-P-C4' energy: -125.356 flat angles P-C4'-P energy: -78.158 tors. eta vs tors. theta energy: -168.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1814.516381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.516381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.516381 (E_RNA) where: Base-Base interactions energy: -1265.736 where: short stacking energy: -517.774 Base-Backbone interact. energy: -3.248 local terms energy: -545.532367 where: bonds (distance) C4'-P energy: -102.338 bonds (distance) P-C4' energy: -97.360 flat angles C4'-P-C4' energy: -119.312 flat angles P-C4'-P energy: -77.063 tors. eta vs tors. theta energy: -149.459 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: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1759.585326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.585326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.585326 (E_RNA) where: Base-Base interactions energy: -1210.463 where: short stacking energy: -520.100 Base-Backbone interact. energy: -5.427 local terms energy: -543.695089 where: bonds (distance) C4'-P energy: -85.257 bonds (distance) P-C4' energy: -116.191 flat angles C4'-P-C4' energy: -115.891 flat angles P-C4'-P energy: -76.311 tors. eta vs tors. theta energy: -150.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1658.655094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.655094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.655094 (E_RNA) where: Base-Base interactions energy: -1139.652 where: short stacking energy: -483.205 Base-Backbone interact. energy: -1.359 local terms energy: -517.644584 where: bonds (distance) C4'-P energy: -92.005 bonds (distance) P-C4' energy: -101.375 flat angles C4'-P-C4' energy: -104.890 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: -139.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1552.443265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.443265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.443265 (E_RNA) where: Base-Base interactions energy: -1056.830 where: short stacking energy: -430.371 Base-Backbone interact. energy: -0.773 local terms energy: -494.840444 where: bonds (distance) C4'-P energy: -86.794 bonds (distance) P-C4' energy: -91.449 flat angles C4'-P-C4' energy: -108.275 flat angles P-C4'-P energy: -77.324 tors. eta vs tors. theta energy: -130.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1512.622844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.622844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.622844 (E_RNA) where: Base-Base interactions energy: -1026.320 where: short stacking energy: -441.207 Base-Backbone interact. energy: -0.901 local terms energy: -485.401847 where: bonds (distance) C4'-P energy: -98.256 bonds (distance) P-C4' energy: -100.186 flat angles C4'-P-C4' energy: -94.519 flat angles P-C4'-P energy: -73.127 tors. eta vs tors. theta energy: -119.314 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: 11 Temperature: 1.200000 Total energy: -1420.394401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.394401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.394401 (E_RNA) where: Base-Base interactions energy: -957.186 where: short stacking energy: -386.824 Base-Backbone interact. energy: -2.359 local terms energy: -460.849787 where: bonds (distance) C4'-P energy: -90.327 bonds (distance) P-C4' energy: -95.498 flat angles C4'-P-C4' energy: -100.978 flat angles P-C4'-P energy: -72.091 tors. eta vs tors. theta energy: -101.956 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: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1407.821200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.821200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.821200 (E_RNA) where: Base-Base interactions energy: -945.222 where: short stacking energy: -393.141 Base-Backbone interact. energy: -2.176 local terms energy: -460.423094 where: bonds (distance) C4'-P energy: -107.869 bonds (distance) P-C4' energy: -88.229 flat angles C4'-P-C4' energy: -115.162 flat angles P-C4'-P energy: -43.907 tors. eta vs tors. theta energy: -105.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -1185.669186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.669186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.669186 (E_RNA) where: Base-Base interactions energy: -800.880 where: short stacking energy: -321.932 Base-Backbone interact. energy: -2.910 local terms energy: -381.879232 where: bonds (distance) C4'-P energy: -78.638 bonds (distance) P-C4' energy: -90.598 flat angles C4'-P-C4' energy: -76.321 flat angles P-C4'-P energy: -66.438 tors. eta vs tors. theta energy: -69.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -1056.849023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.849023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.849023 (E_RNA) where: Base-Base interactions energy: -712.780 where: short stacking energy: -289.332 Base-Backbone interact. energy: -1.036 local terms energy: -343.032365 where: bonds (distance) C4'-P energy: -73.761 bonds (distance) P-C4' energy: -74.041 flat angles C4'-P-C4' energy: -87.991 flat angles P-C4'-P energy: -50.993 tors. eta vs tors. theta energy: -56.247 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: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1852.225582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.225582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.225582 (E_RNA) where: Base-Base interactions energy: -1269.099 where: short stacking energy: -532.359 Base-Backbone interact. energy: -0.060 local terms energy: -583.067229 where: bonds (distance) C4'-P energy: -103.148 bonds (distance) P-C4' energy: -113.014 flat angles C4'-P-C4' energy: -126.480 flat angles P-C4'-P energy: -81.010 tors. eta vs tors. theta energy: -159.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1801.590318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.590318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.590318 (E_RNA) where: Base-Base interactions energy: -1245.961 where: short stacking energy: -513.342 Base-Backbone interact. energy: -3.941 local terms energy: -551.688499 where: bonds (distance) C4'-P energy: -108.473 bonds (distance) P-C4' energy: -107.194 flat angles C4'-P-C4' energy: -119.462 flat angles P-C4'-P energy: -66.415 tors. eta vs tors. theta energy: -150.145 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: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1786.527375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.527375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.527375 (E_RNA) where: Base-Base interactions energy: -1250.066 where: short stacking energy: -497.938 Base-Backbone interact. energy: -0.152 local terms energy: -536.309224 where: bonds (distance) C4'-P energy: -99.983 bonds (distance) P-C4' energy: -98.555 flat angles C4'-P-C4' energy: -119.651 flat angles P-C4'-P energy: -73.267 tors. eta vs tors. theta energy: -144.853 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: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1658.722099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.722099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.722099 (E_RNA) where: Base-Base interactions energy: -1129.245 where: short stacking energy: -470.042 Base-Backbone interact. energy: 1.491 local terms energy: -530.967500 where: bonds (distance) C4'-P energy: -108.159 bonds (distance) P-C4' energy: -103.159 flat angles C4'-P-C4' energy: -108.052 flat angles P-C4'-P energy: -72.834 tors. eta vs tors. theta energy: -138.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1559.078928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.078928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.078928 (E_RNA) where: Base-Base interactions energy: -1087.344 where: short stacking energy: -435.091 Base-Backbone interact. energy: -4.563 local terms energy: -467.172548 where: bonds (distance) C4'-P energy: -102.393 bonds (distance) P-C4' energy: -103.782 flat angles C4'-P-C4' energy: -94.176 flat angles P-C4'-P energy: -59.012 tors. eta vs tors. theta energy: -107.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1489.985413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.985413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.985413 (E_RNA) where: Base-Base interactions energy: -1015.051 where: short stacking energy: -395.726 Base-Backbone interact. energy: -2.746 local terms energy: -472.187494 where: bonds (distance) C4'-P energy: -105.836 bonds (distance) P-C4' energy: -93.013 flat angles C4'-P-C4' energy: -96.695 flat angles P-C4'-P energy: -73.822 tors. eta vs tors. theta energy: -102.822 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: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1452.651089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.651089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.651089 (E_RNA) where: Base-Base interactions energy: -1003.428 where: short stacking energy: -395.479 Base-Backbone interact. energy: -1.301 local terms energy: -447.922495 where: bonds (distance) C4'-P energy: -91.974 bonds (distance) P-C4' energy: -90.116 flat angles C4'-P-C4' energy: -100.431 flat angles P-C4'-P energy: -58.619 tors. eta vs tors. theta energy: -106.782 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: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1388.257422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.257422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.257422 (E_RNA) where: Base-Base interactions energy: -945.361 where: short stacking energy: -393.187 Base-Backbone interact. energy: -3.129 local terms energy: -439.768178 where: bonds (distance) C4'-P energy: -81.428 bonds (distance) P-C4' energy: -93.186 flat angles C4'-P-C4' energy: -100.340 flat angles P-C4'-P energy: -63.530 tors. eta vs tors. theta energy: -101.285 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: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1223.351976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.351976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.351976 (E_RNA) where: Base-Base interactions energy: -819.171 where: short stacking energy: -330.440 Base-Backbone interact. energy: -1.608 local terms energy: -402.573751 where: bonds (distance) C4'-P energy: -92.257 bonds (distance) P-C4' energy: -70.407 flat angles C4'-P-C4' energy: -101.852 flat angles P-C4'-P energy: -56.869 tors. eta vs tors. theta energy: -81.189 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: 12 Temperature: 1.350000 Total energy: -1070.966467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.966467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.966467 (E_RNA) where: Base-Base interactions energy: -686.088 where: short stacking energy: -294.451 Base-Backbone interact. energy: 0.193 local terms energy: -385.070942 where: bonds (distance) C4'-P energy: -87.346 bonds (distance) P-C4' energy: -73.123 flat angles C4'-P-C4' energy: -88.051 flat angles P-C4'-P energy: -71.139 tors. eta vs tors. theta energy: -65.412 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: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1853.706376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.706376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.706376 (E_RNA) where: Base-Base interactions energy: -1274.266 where: short stacking energy: -517.268 Base-Backbone interact. energy: -5.662 local terms energy: -573.778789 where: bonds (distance) C4'-P energy: -111.520 bonds (distance) P-C4' energy: -92.791 flat angles C4'-P-C4' energy: -132.999 flat angles P-C4'-P energy: -89.925 tors. eta vs tors. theta energy: -146.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1848.205564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.205564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.205564 (E_RNA) where: Base-Base interactions energy: -1287.818 where: short stacking energy: -530.226 Base-Backbone interact. energy: -2.456 local terms energy: -557.932001 where: bonds (distance) C4'-P energy: -105.969 bonds (distance) P-C4' energy: -121.504 flat angles C4'-P-C4' energy: -108.414 flat angles P-C4'-P energy: -74.771 tors. eta vs tors. theta energy: -147.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1772.554754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.554754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.554754 (E_RNA) where: Base-Base interactions energy: -1217.069 where: short stacking energy: -506.370 Base-Backbone interact. energy: -2.330 local terms energy: -553.155103 where: bonds (distance) C4'-P energy: -101.386 bonds (distance) P-C4' energy: -116.184 flat angles C4'-P-C4' energy: -111.774 flat angles P-C4'-P energy: -76.605 tors. eta vs tors. theta energy: -147.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1687.050159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.050159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.050159 (E_RNA) where: Base-Base interactions energy: -1147.901 where: short stacking energy: -478.957 Base-Backbone interact. energy: -3.778 local terms energy: -535.371449 where: bonds (distance) C4'-P energy: -99.284 bonds (distance) P-C4' energy: -99.410 flat angles C4'-P-C4' energy: -118.298 flat angles P-C4'-P energy: -81.625 tors. eta vs tors. theta energy: -136.754 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: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1579.777436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.777436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.777436 (E_RNA) where: Base-Base interactions energy: -1069.183 where: short stacking energy: -440.919 Base-Backbone interact. energy: -1.034 local terms energy: -509.560470 where: bonds (distance) C4'-P energy: -105.981 bonds (distance) P-C4' energy: -93.716 flat angles C4'-P-C4' energy: -109.341 flat angles P-C4'-P energy: -74.109 tors. eta vs tors. theta energy: -126.413 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: 13 Temperature: 1.150000 Total energy: -1517.340495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.340495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.340495 (E_RNA) where: Base-Base interactions energy: -1032.820 where: short stacking energy: -431.139 Base-Backbone interact. energy: -0.739 local terms energy: -483.781917 where: bonds (distance) C4'-P energy: -95.437 bonds (distance) P-C4' energy: -97.683 flat angles C4'-P-C4' energy: -102.582 flat angles P-C4'-P energy: -71.483 tors. eta vs tors. theta energy: -116.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1460.003398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.003398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.003398 (E_RNA) where: Base-Base interactions energy: -984.983 where: short stacking energy: -393.910 Base-Backbone interact. energy: -3.342 local terms energy: -471.678477 where: bonds (distance) C4'-P energy: -93.394 bonds (distance) P-C4' energy: -90.491 flat angles C4'-P-C4' energy: -111.295 flat angles P-C4'-P energy: -74.693 tors. eta vs tors. theta energy: -101.806 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: 13 Temperature: 1.250000 Total energy: -1371.027461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.027461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.027461 (E_RNA) where: Base-Base interactions energy: -948.254 where: short stacking energy: -383.104 Base-Backbone interact. energy: -2.730 local terms energy: -420.043476 where: bonds (distance) C4'-P energy: -75.692 bonds (distance) P-C4' energy: -86.073 flat angles C4'-P-C4' energy: -95.761 flat angles P-C4'-P energy: -63.586 tors. eta vs tors. theta energy: -98.931 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: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1173.817475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.817475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.817475 (E_RNA) where: Base-Base interactions energy: -777.407 where: short stacking energy: -315.606 Base-Backbone interact. energy: -0.023 local terms energy: -396.388052 where: bonds (distance) C4'-P energy: -79.041 bonds (distance) P-C4' energy: -97.332 flat angles C4'-P-C4' energy: -86.254 flat angles P-C4'-P energy: -62.187 tors. eta vs tors. theta energy: -71.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -1048.917010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.917010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.917010 (E_RNA) where: Base-Base interactions energy: -675.682 where: short stacking energy: -299.852 Base-Backbone interact. energy: 0.720 local terms energy: -373.955099 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -84.895 flat angles C4'-P-C4' energy: -85.026 flat angles P-C4'-P energy: -61.820 tors. eta vs tors. theta energy: -63.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1890.801993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.801993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.801993 (E_RNA) where: Base-Base interactions energy: -1313.068 where: short stacking energy: -557.707 Base-Backbone interact. energy: -3.216 local terms energy: -574.518264 where: bonds (distance) C4'-P energy: -108.566 bonds (distance) P-C4' energy: -112.329 flat angles C4'-P-C4' energy: -121.181 flat angles P-C4'-P energy: -75.543 tors. eta vs tors. theta energy: -156.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1860.018498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.018498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.018498 (E_RNA) where: Base-Base interactions energy: -1288.375 where: short stacking energy: -549.749 Base-Backbone interact. energy: -1.439 local terms energy: -570.205266 where: bonds (distance) C4'-P energy: -116.881 bonds (distance) P-C4' energy: -103.336 flat angles C4'-P-C4' energy: -122.777 flat angles P-C4'-P energy: -71.540 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: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1731.109800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.109800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.109800 (E_RNA) where: Base-Base interactions energy: -1176.377 where: short stacking energy: -498.237 Base-Backbone interact. energy: -3.906 local terms energy: -550.826401 where: bonds (distance) C4'-P energy: -99.487 bonds (distance) P-C4' energy: -114.963 flat angles C4'-P-C4' energy: -118.923 flat angles P-C4'-P energy: -70.882 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: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1697.034886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.034886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.034886 (E_RNA) where: Base-Base interactions energy: -1158.683 where: short stacking energy: -478.578 Base-Backbone interact. energy: -4.053 local terms energy: -534.299604 where: bonds (distance) C4'-P energy: -100.353 bonds (distance) P-C4' energy: -112.901 flat angles C4'-P-C4' energy: -115.377 flat angles P-C4'-P energy: -61.589 tors. eta vs tors. theta energy: -144.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1582.935054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.935054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.935054 (E_RNA) where: Base-Base interactions energy: -1089.543 where: short stacking energy: -461.948 Base-Backbone interact. energy: -3.003 local terms energy: -490.389058 where: bonds (distance) C4'-P energy: -95.964 bonds (distance) P-C4' energy: -95.439 flat angles C4'-P-C4' energy: -102.632 flat angles P-C4'-P energy: -62.583 tors. eta vs tors. theta energy: -133.771 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: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1502.224661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.224661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.224661 (E_RNA) where: Base-Base interactions energy: -1002.154 where: short stacking energy: -430.372 Base-Backbone interact. energy: 0.980 local terms energy: -501.050582 where: bonds (distance) C4'-P energy: -94.823 bonds (distance) P-C4' energy: -102.324 flat angles C4'-P-C4' energy: -112.339 flat angles P-C4'-P energy: -67.105 tors. eta vs tors. theta energy: -124.460 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: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1413.261975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.261975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.261975 (E_RNA) where: Base-Base interactions energy: -943.618 where: short stacking energy: -397.091 Base-Backbone interact. energy: 3.146 local terms energy: -472.789555 where: bonds (distance) C4'-P energy: -103.830 bonds (distance) P-C4' energy: -95.405 flat angles C4'-P-C4' energy: -106.782 flat angles P-C4'-P energy: -64.012 tors. eta vs tors. theta energy: -102.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1384.581404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.581404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.581404 (E_RNA) where: Base-Base interactions energy: -963.609 where: short stacking energy: -390.198 Base-Backbone interact. energy: 0.599 local terms energy: -421.571301 where: bonds (distance) C4'-P energy: -77.348 bonds (distance) P-C4' energy: -78.850 flat angles C4'-P-C4' energy: -102.881 flat angles P-C4'-P energy: -71.666 tors. eta vs tors. theta energy: -90.827 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: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1177.061658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.061658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.061658 (E_RNA) where: Base-Base interactions energy: -766.202 where: short stacking energy: -303.384 Base-Backbone interact. energy: 4.455 local terms energy: -415.314025 where: bonds (distance) C4'-P energy: -95.171 bonds (distance) P-C4' energy: -96.599 flat angles C4'-P-C4' energy: -94.153 flat angles P-C4'-P energy: -55.337 tors. eta vs tors. theta energy: -74.054 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: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -1075.006054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.006054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.006054 (E_RNA) where: Base-Base interactions energy: -730.842 where: short stacking energy: -335.187 Base-Backbone interact. energy: -1.456 local terms energy: -342.707506 where: bonds (distance) C4'-P energy: -83.232 bonds (distance) P-C4' energy: -65.054 flat angles C4'-P-C4' energy: -72.588 flat angles P-C4'-P energy: -53.361 tors. eta vs tors. theta energy: -68.472 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: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1896.339223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.339223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.339223 (E_RNA) where: Base-Base interactions energy: -1327.319 where: short stacking energy: -536.708 Base-Backbone interact. energy: -3.132 local terms energy: -565.887870 where: bonds (distance) C4'-P energy: -101.587 bonds (distance) P-C4' energy: -112.723 flat angles C4'-P-C4' energy: -116.600 flat angles P-C4'-P energy: -81.123 tors. eta vs tors. theta energy: -153.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1813.275308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.275308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.275308 (E_RNA) where: Base-Base interactions energy: -1246.702 where: short stacking energy: -534.644 Base-Backbone interact. energy: -0.818 local terms energy: -565.755842 where: bonds (distance) C4'-P energy: -104.176 bonds (distance) P-C4' energy: -107.542 flat angles C4'-P-C4' energy: -119.665 flat angles P-C4'-P energy: -74.543 tors. eta vs tors. theta energy: -159.830 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: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1687.899511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.899511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.899511 (E_RNA) where: Base-Base interactions energy: -1156.308 where: short stacking energy: -478.800 Base-Backbone interact. energy: 0.592 local terms energy: -532.184064 where: bonds (distance) C4'-P energy: -99.260 bonds (distance) P-C4' energy: -106.765 flat angles C4'-P-C4' energy: -111.775 flat angles P-C4'-P energy: -74.185 tors. eta vs tors. theta energy: -140.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1697.957582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.957582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.957582 (E_RNA) where: Base-Base interactions energy: -1189.401 where: short stacking energy: -494.963 Base-Backbone interact. energy: -2.268 local terms energy: -506.288553 where: bonds (distance) C4'-P energy: -97.915 bonds (distance) P-C4' energy: -102.537 flat angles C4'-P-C4' energy: -108.755 flat angles P-C4'-P energy: -59.859 tors. eta vs tors. theta energy: -137.221 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: 15 Temperature: 1.100000 Total energy: -1577.393900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.393900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.393900 (E_RNA) where: Base-Base interactions energy: -1068.464 where: short stacking energy: -469.959 Base-Backbone interact. energy: 0.692 local terms energy: -509.621373 where: bonds (distance) C4'-P energy: -102.291 bonds (distance) P-C4' energy: -89.203 flat angles C4'-P-C4' energy: -104.403 flat angles P-C4'-P energy: -79.029 tors. eta vs tors. theta energy: -134.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1496.997891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.997891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.997891 (E_RNA) where: Base-Base interactions energy: -983.358 where: short stacking energy: -442.675 Base-Backbone interact. energy: -0.598 local terms energy: -513.041893 where: bonds (distance) C4'-P energy: -94.572 bonds (distance) P-C4' energy: -106.211 flat angles C4'-P-C4' energy: -106.617 flat angles P-C4'-P energy: -80.828 tors. eta vs tors. theta energy: -124.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1379.442082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.442082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.442082 (E_RNA) where: Base-Base interactions energy: -937.400 where: short stacking energy: -391.096 Base-Backbone interact. energy: 2.013 local terms energy: -444.054581 where: bonds (distance) C4'-P energy: -85.778 bonds (distance) P-C4' energy: -97.291 flat angles C4'-P-C4' energy: -92.978 flat angles P-C4'-P energy: -69.385 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: 8, replica: 10 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1375.078088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.078088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.078088 (E_RNA) where: Base-Base interactions energy: -947.618 where: short stacking energy: -388.360 Base-Backbone interact. energy: -0.599 local terms energy: -426.860554 where: bonds (distance) C4'-P energy: -91.099 bonds (distance) P-C4' energy: -89.956 flat angles C4'-P-C4' energy: -107.147 flat angles P-C4'-P energy: -40.954 tors. eta vs tors. theta energy: -97.705 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: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1115.490287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.490287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.490287 (E_RNA) where: Base-Base interactions energy: -757.512 where: short stacking energy: -302.015 Base-Backbone interact. energy: -0.932 local terms energy: -357.045689 where: bonds (distance) C4'-P energy: -60.413 bonds (distance) P-C4' energy: -90.609 flat angles C4'-P-C4' energy: -92.320 flat angles P-C4'-P energy: -62.009 tors. eta vs tors. theta energy: -51.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1076.533753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.533753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.533753 (E_RNA) where: Base-Base interactions energy: -710.778 where: short stacking energy: -284.318 Base-Backbone interact. energy: -0.385 local terms energy: -365.370454 where: bonds (distance) C4'-P energy: -73.662 bonds (distance) P-C4' energy: -89.065 flat angles C4'-P-C4' energy: -87.789 flat angles P-C4'-P energy: -50.441 tors. eta vs tors. theta energy: -64.413 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: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1875.962950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.962950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.962950 (E_RNA) where: Base-Base interactions energy: -1298.278 where: short stacking energy: -532.385 Base-Backbone interact. energy: -6.080 local terms energy: -571.605334 where: bonds (distance) C4'-P energy: -114.265 bonds (distance) P-C4' energy: -114.467 flat angles C4'-P-C4' energy: -123.365 flat angles P-C4'-P energy: -68.497 tors. eta vs tors. theta energy: -151.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1829.917896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.917896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.917896 (E_RNA) where: Base-Base interactions energy: -1268.111 where: short stacking energy: -537.471 Base-Backbone interact. energy: -0.949 local terms energy: -560.858063 where: bonds (distance) C4'-P energy: -100.839 bonds (distance) P-C4' energy: -114.218 flat angles C4'-P-C4' energy: -129.933 flat angles P-C4'-P energy: -62.920 tors. eta vs tors. theta energy: -152.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1697.933721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.933721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.933721 (E_RNA) where: Base-Base interactions energy: -1166.186 where: short stacking energy: -487.296 Base-Backbone interact. energy: -2.869 local terms energy: -528.879146 where: bonds (distance) C4'-P energy: -106.039 bonds (distance) P-C4' energy: -104.619 flat angles C4'-P-C4' energy: -104.820 flat angles P-C4'-P energy: -82.564 tors. eta vs tors. theta energy: -130.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1588.338063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.338063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.338063 (E_RNA) where: Base-Base interactions energy: -1077.872 where: short stacking energy: -456.095 Base-Backbone interact. energy: 0.189 local terms energy: -510.654292 where: bonds (distance) C4'-P energy: -85.742 bonds (distance) P-C4' energy: -105.938 flat angles C4'-P-C4' energy: -110.003 flat angles P-C4'-P energy: -85.788 tors. eta vs tors. theta energy: -123.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1554.438715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.438715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.438715 (E_RNA) where: Base-Base interactions energy: -1034.450 where: short stacking energy: -461.269 Base-Backbone interact. energy: -2.379 local terms energy: -517.609914 where: bonds (distance) C4'-P energy: -96.768 bonds (distance) P-C4' energy: -115.816 flat angles C4'-P-C4' energy: -103.291 flat angles P-C4'-P energy: -69.356 tors. eta vs tors. theta energy: -132.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1457.819867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.819867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.819867 (E_RNA) where: Base-Base interactions energy: -1006.823 where: short stacking energy: -397.861 Base-Backbone interact. energy: -3.664 local terms energy: -447.333100 where: bonds (distance) C4'-P energy: -97.170 bonds (distance) P-C4' energy: -97.196 flat angles C4'-P-C4' energy: -100.849 flat angles P-C4'-P energy: -56.402 tors. eta vs tors. theta energy: -95.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1461.106188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.106188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.106188 (E_RNA) where: Base-Base interactions energy: -1001.072 where: short stacking energy: -413.911 Base-Backbone interact. energy: -3.905 local terms energy: -456.128507 where: bonds (distance) C4'-P energy: -88.972 bonds (distance) P-C4' energy: -86.588 flat angles C4'-P-C4' energy: -108.140 flat angles P-C4'-P energy: -63.702 tors. eta vs tors. theta energy: -108.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1369.234136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.234136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.234136 (E_RNA) where: Base-Base interactions energy: -911.574 where: short stacking energy: -381.084 Base-Backbone interact. energy: 0.127 local terms energy: -457.787286 where: bonds (distance) C4'-P energy: -97.355 bonds (distance) P-C4' energy: -94.069 flat angles C4'-P-C4' energy: -98.508 flat angles P-C4'-P energy: -75.995 tors. eta vs tors. theta energy: -91.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1168.769465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.769465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.769465 (E_RNA) where: Base-Base interactions energy: -785.782 where: short stacking energy: -328.783 Base-Backbone interact. energy: -1.140 local terms energy: -381.846750 where: bonds (distance) C4'-P energy: -90.375 bonds (distance) P-C4' energy: -74.431 flat angles C4'-P-C4' energy: -95.405 flat angles P-C4'-P energy: -61.552 tors. eta vs tors. theta energy: -60.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1073.981157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.981157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.981157 (E_RNA) where: Base-Base interactions energy: -710.086 where: short stacking energy: -303.717 Base-Backbone interact. energy: -1.043 local terms energy: -362.851601 where: bonds (distance) C4'-P energy: -78.431 bonds (distance) P-C4' energy: -74.988 flat angles C4'-P-C4' energy: -87.090 flat angles P-C4'-P energy: -51.141 tors. eta vs tors. theta energy: -71.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1844.234096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.234096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.234096 (E_RNA) where: Base-Base interactions energy: -1273.592 where: short stacking energy: -524.000 Base-Backbone interact. energy: -3.857 local terms energy: -566.784877 where: bonds (distance) C4'-P energy: -103.851 bonds (distance) P-C4' energy: -114.121 flat angles C4'-P-C4' energy: -120.152 flat angles P-C4'-P energy: -73.297 tors. eta vs tors. theta energy: -155.364 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: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1815.991425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.991425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.991425 (E_RNA) where: Base-Base interactions energy: -1279.336 where: short stacking energy: -557.097 Base-Backbone interact. energy: -3.956 local terms energy: -532.699698 where: bonds (distance) C4'-P energy: -85.575 bonds (distance) P-C4' energy: -101.876 flat angles C4'-P-C4' energy: -115.420 flat angles P-C4'-P energy: -72.470 tors. eta vs tors. theta energy: -157.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1709.203319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.203319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.203319 (E_RNA) where: Base-Base interactions energy: -1173.053 where: short stacking energy: -490.199 Base-Backbone interact. energy: -1.916 local terms energy: -534.233631 where: bonds (distance) C4'-P energy: -83.662 bonds (distance) P-C4' energy: -106.592 flat angles C4'-P-C4' energy: -118.040 flat angles P-C4'-P energy: -89.347 tors. eta vs tors. theta energy: -136.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1659.731068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.731068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.731068 (E_RNA) where: Base-Base interactions energy: -1124.560 where: short stacking energy: -500.878 Base-Backbone interact. energy: -2.711 local terms energy: -532.460258 where: bonds (distance) C4'-P energy: -89.178 bonds (distance) P-C4' energy: -101.900 flat angles C4'-P-C4' energy: -115.199 flat angles P-C4'-P energy: -87.334 tors. eta vs tors. theta energy: -138.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1546.182345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.182345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.182345 (E_RNA) where: Base-Base interactions energy: -1048.471 where: short stacking energy: -448.454 Base-Backbone interact. energy: -0.874 local terms energy: -496.838014 where: bonds (distance) C4'-P energy: -94.548 bonds (distance) P-C4' energy: -88.806 flat angles C4'-P-C4' energy: -109.586 flat angles P-C4'-P energy: -74.528 tors. eta vs tors. theta energy: -129.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1484.808435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.808435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.808435 (E_RNA) where: Base-Base interactions energy: -988.694 where: short stacking energy: -414.838 Base-Backbone interact. energy: -0.896 local terms energy: -495.219003 where: bonds (distance) C4'-P energy: -85.098 bonds (distance) P-C4' energy: -107.241 flat angles C4'-P-C4' energy: -95.887 flat angles P-C4'-P energy: -79.642 tors. eta vs tors. theta energy: -127.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1422.819822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.819822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.819822 (E_RNA) where: Base-Base interactions energy: -1020.895 where: short stacking energy: -402.478 Base-Backbone interact. energy: 1.797 local terms energy: -403.721845 where: bonds (distance) C4'-P energy: -64.164 bonds (distance) P-C4' energy: -84.647 flat angles C4'-P-C4' energy: -88.974 flat angles P-C4'-P energy: -64.917 tors. eta vs tors. theta energy: -101.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1357.743356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.743356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.743356 (E_RNA) where: Base-Base interactions energy: -917.126 where: short stacking energy: -369.796 Base-Backbone interact. energy: -3.329 local terms energy: -437.287804 where: bonds (distance) C4'-P energy: -93.137 bonds (distance) P-C4' energy: -83.376 flat angles C4'-P-C4' energy: -100.854 flat angles P-C4'-P energy: -66.012 tors. eta vs tors. theta energy: -93.909 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: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1126.232877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.232877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.232877 (E_RNA) where: Base-Base interactions energy: -730.424 where: short stacking energy: -310.837 Base-Backbone interact. energy: -1.626 local terms energy: -394.182589 where: bonds (distance) C4'-P energy: -72.657 bonds (distance) P-C4' energy: -91.938 flat angles C4'-P-C4' energy: -94.521 flat angles P-C4'-P energy: -69.095 tors. eta vs tors. theta energy: -65.972 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: 8 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -988.409599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.409599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.409599 (E_RNA) where: Base-Base interactions energy: -641.988 where: short stacking energy: -281.403 Base-Backbone interact. energy: 0.064 local terms energy: -346.485157 where: bonds (distance) C4'-P energy: -93.909 bonds (distance) P-C4' energy: -80.717 flat angles C4'-P-C4' energy: -56.894 flat angles P-C4'-P energy: -63.793 tors. eta vs tors. theta energy: -51.171 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: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1864.536889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.536889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.536889 (E_RNA) where: Base-Base interactions energy: -1275.176 where: short stacking energy: -554.648 Base-Backbone interact. energy: -1.435 local terms energy: -587.926212 where: bonds (distance) C4'-P energy: -102.511 bonds (distance) P-C4' energy: -117.903 flat angles C4'-P-C4' energy: -120.772 flat angles P-C4'-P energy: -85.421 tors. eta vs tors. theta energy: -161.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1809.086880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.086880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.086880 (E_RNA) where: Base-Base interactions energy: -1246.846 where: short stacking energy: -511.003 Base-Backbone interact. energy: -0.685 local terms energy: -561.555640 where: bonds (distance) C4'-P energy: -99.536 bonds (distance) P-C4' energy: -106.268 flat angles C4'-P-C4' energy: -125.967 flat angles P-C4'-P energy: -81.032 tors. eta vs tors. theta energy: -148.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1730.510398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.510398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.510398 (E_RNA) where: Base-Base interactions energy: -1165.754 where: short stacking energy: -475.576 Base-Backbone interact. energy: -4.210 local terms energy: -560.546587 where: bonds (distance) C4'-P energy: -102.747 bonds (distance) P-C4' energy: -118.440 flat angles C4'-P-C4' energy: -116.094 flat angles P-C4'-P energy: -78.933 tors. eta vs tors. theta energy: -144.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1613.183716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.183716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.183716 (E_RNA) where: Base-Base interactions energy: -1079.085 where: short stacking energy: -456.203 Base-Backbone interact. energy: -4.229 local terms energy: -529.869903 where: bonds (distance) C4'-P energy: -110.177 bonds (distance) P-C4' energy: -100.639 flat angles C4'-P-C4' energy: -108.049 flat angles P-C4'-P energy: -81.140 tors. eta vs tors. theta energy: -129.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1558.770126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.770126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.770126 (E_RNA) where: Base-Base interactions energy: -1072.765 where: short stacking energy: -436.995 Base-Backbone interact. energy: 7.540 local terms energy: -493.544801 where: bonds (distance) C4'-P energy: -87.883 bonds (distance) P-C4' energy: -105.573 flat angles C4'-P-C4' energy: -101.871 flat angles P-C4'-P energy: -76.839 tors. eta vs tors. theta energy: -121.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1527.865623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.865623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.865623 (E_RNA) where: Base-Base interactions energy: -1047.209 where: short stacking energy: -462.858 Base-Backbone interact. energy: -1.216 local terms energy: -479.440864 where: bonds (distance) C4'-P energy: -92.987 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -107.032 flat angles P-C4'-P energy: -63.865 tors. eta vs tors. theta energy: -129.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1334.334991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.334991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.334991 (E_RNA) where: Base-Base interactions energy: -909.285 where: short stacking energy: -377.894 Base-Backbone interact. energy: 0.023 local terms energy: -425.073485 where: bonds (distance) C4'-P energy: -79.453 bonds (distance) P-C4' energy: -84.019 flat angles C4'-P-C4' energy: -104.044 flat angles P-C4'-P energy: -59.441 tors. eta vs tors. theta energy: -98.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1342.394770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.394770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.394770 (E_RNA) where: Base-Base interactions energy: -915.399 where: short stacking energy: -359.488 Base-Backbone interact. energy: -0.991 local terms energy: -426.004542 where: bonds (distance) C4'-P energy: -100.319 bonds (distance) P-C4' energy: -87.541 flat angles C4'-P-C4' energy: -89.697 flat angles P-C4'-P energy: -63.067 tors. eta vs tors. theta energy: -85.380 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: 8 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1083.813493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.813493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.813493 (E_RNA) where: Base-Base interactions energy: -688.831 where: short stacking energy: -311.346 Base-Backbone interact. energy: -1.229 local terms energy: -393.753787 where: bonds (distance) C4'-P energy: -87.983 bonds (distance) P-C4' energy: -100.923 flat angles C4'-P-C4' energy: -84.076 flat angles P-C4'-P energy: -57.858 tors. eta vs tors. theta energy: -62.913 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: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1078.766556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.766556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.766556 (E_RNA) where: Base-Base interactions energy: -735.508 where: short stacking energy: -301.009 Base-Backbone interact. energy: -2.282 local terms energy: -340.976691 where: bonds (distance) C4'-P energy: -81.480 bonds (distance) P-C4' energy: -69.219 flat angles C4'-P-C4' energy: -92.100 flat angles P-C4'-P energy: -52.848 tors. eta vs tors. theta energy: -45.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1908.706585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.706585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.706585 (E_RNA) where: Base-Base interactions energy: -1311.784 where: short stacking energy: -562.100 Base-Backbone interact. energy: -3.934 local terms energy: -592.988670 where: bonds (distance) C4'-P energy: -113.729 bonds (distance) P-C4' energy: -110.757 flat angles C4'-P-C4' energy: -126.208 flat angles P-C4'-P energy: -77.193 tors. eta vs tors. theta energy: -165.101 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: 4 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1793.408165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.408165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.408165 (E_RNA) where: Base-Base interactions energy: -1256.294 where: short stacking energy: -527.639 Base-Backbone interact. energy: -0.652 local terms energy: -536.462130 where: bonds (distance) C4'-P energy: -107.871 bonds (distance) P-C4' energy: -104.474 flat angles C4'-P-C4' energy: -112.191 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: -144.006 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: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1716.099929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.099929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.099929 (E_RNA) where: Base-Base interactions energy: -1189.262 where: short stacking energy: -481.387 Base-Backbone interact. energy: -1.725 local terms energy: -525.112781 where: bonds (distance) C4'-P energy: -100.639 bonds (distance) P-C4' energy: -94.295 flat angles C4'-P-C4' energy: -116.184 flat angles P-C4'-P energy: -81.953 tors. eta vs tors. theta energy: -132.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1600.686574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.686574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.686574 (E_RNA) where: Base-Base interactions energy: -1097.273 where: short stacking energy: -459.095 Base-Backbone interact. energy: -0.827 local terms energy: -502.587157 where: bonds (distance) C4'-P energy: -97.376 bonds (distance) P-C4' energy: -100.965 flat angles C4'-P-C4' energy: -104.841 flat angles P-C4'-P energy: -72.587 tors. eta vs tors. theta energy: -126.818 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: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1604.263115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.263115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.263115 (E_RNA) where: Base-Base interactions energy: -1112.108 where: short stacking energy: -448.105 Base-Backbone interact. energy: -2.269 local terms energy: -489.886460 where: bonds (distance) C4'-P energy: -93.409 bonds (distance) P-C4' energy: -98.147 flat angles C4'-P-C4' energy: -113.836 flat angles P-C4'-P energy: -70.360 tors. eta vs tors. theta energy: -114.134 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: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1513.471879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.471879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.471879 (E_RNA) where: Base-Base interactions energy: -1027.416 where: short stacking energy: -440.370 Base-Backbone interact. energy: 0.334 local terms energy: -486.390075 where: bonds (distance) C4'-P energy: -88.444 bonds (distance) P-C4' energy: -96.634 flat angles C4'-P-C4' energy: -101.697 flat angles P-C4'-P energy: -74.718 tors. eta vs tors. theta energy: -124.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1423.994128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.994128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.994128 (E_RNA) where: Base-Base interactions energy: -968.395 where: short stacking energy: -395.839 Base-Backbone interact. energy: -1.664 local terms energy: -453.934698 where: bonds (distance) C4'-P energy: -89.813 bonds (distance) P-C4' energy: -98.547 flat angles C4'-P-C4' energy: -114.482 flat angles P-C4'-P energy: -64.216 tors. eta vs tors. theta energy: -86.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1370.595861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.595861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.595861 (E_RNA) where: Base-Base interactions energy: -926.998 where: short stacking energy: -372.966 Base-Backbone interact. energy: -2.323 local terms energy: -441.275588 where: bonds (distance) C4'-P energy: -74.954 bonds (distance) P-C4' energy: -97.349 flat angles C4'-P-C4' energy: -105.138 flat angles P-C4'-P energy: -66.871 tors. eta vs tors. theta energy: -96.964 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: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1130.144590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.144590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.144590 (E_RNA) where: Base-Base interactions energy: -705.956 where: short stacking energy: -317.729 Base-Backbone interact. energy: 2.321 local terms energy: -426.508950 where: bonds (distance) C4'-P energy: -102.328 bonds (distance) P-C4' energy: -92.194 flat angles C4'-P-C4' energy: -98.907 flat angles P-C4'-P energy: -57.772 tors. eta vs tors. theta energy: -75.308 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: 19 Temperature: 1.350000 Total energy: -1057.205893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.205893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.205893 (E_RNA) where: Base-Base interactions energy: -688.556 where: short stacking energy: -298.386 Base-Backbone interact. energy: -2.759 local terms energy: -365.890850 where: bonds (distance) C4'-P energy: -68.700 bonds (distance) P-C4' energy: -82.499 flat angles C4'-P-C4' energy: -97.030 flat angles P-C4'-P energy: -53.312 tors. eta vs tors. theta energy: -64.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1888.620952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.620952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.620952 (E_RNA) where: Base-Base interactions energy: -1315.018 where: short stacking energy: -557.170 Base-Backbone interact. energy: -4.878 local terms energy: -568.724525 where: bonds (distance) C4'-P energy: -104.591 bonds (distance) P-C4' energy: -108.759 flat angles C4'-P-C4' energy: -123.206 flat angles P-C4'-P energy: -71.813 tors. eta vs tors. theta energy: -160.356 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: 2, replica: 4 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1813.827680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.827680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.827680 (E_RNA) where: Base-Base interactions energy: -1257.794 where: short stacking energy: -522.839 Base-Backbone interact. energy: -0.669 local terms energy: -555.364544 where: bonds (distance) C4'-P energy: -102.174 bonds (distance) P-C4' energy: -120.259 flat angles C4'-P-C4' energy: -104.119 flat angles P-C4'-P energy: -80.910 tors. eta vs tors. theta energy: -147.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1716.068720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.068720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.068720 (E_RNA) where: Base-Base interactions energy: -1195.966 where: short stacking energy: -490.474 Base-Backbone interact. energy: -1.874 local terms energy: -518.228220 where: bonds (distance) C4'-P energy: -98.226 bonds (distance) P-C4' energy: -107.853 flat angles C4'-P-C4' energy: -114.412 flat angles P-C4'-P energy: -67.701 tors. eta vs tors. theta energy: -130.037 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: 4, replica: 7 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1619.626892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.626892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.626892 (E_RNA) where: Base-Base interactions energy: -1082.872 where: short stacking energy: -463.389 Base-Backbone interact. energy: -1.644 local terms energy: -535.110527 where: bonds (distance) C4'-P energy: -109.283 bonds (distance) P-C4' energy: -116.693 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -70.482 tors. eta vs tors. theta energy: -127.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1671.295872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.295872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.295872 (E_RNA) where: Base-Base interactions energy: -1173.633 where: short stacking energy: -459.534 Base-Backbone interact. energy: -3.307 local terms energy: -494.356166 where: bonds (distance) C4'-P energy: -95.879 bonds (distance) P-C4' energy: -99.275 flat angles C4'-P-C4' energy: -104.917 flat angles P-C4'-P energy: -66.065 tors. eta vs tors. theta energy: -128.221 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: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1521.475471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.475471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.475471 (E_RNA) where: Base-Base interactions energy: -1047.320 where: short stacking energy: -424.462 Base-Backbone interact. energy: -1.540 local terms energy: -472.615655 where: bonds (distance) C4'-P energy: -94.380 bonds (distance) P-C4' energy: -83.191 flat angles C4'-P-C4' energy: -106.013 flat angles P-C4'-P energy: -70.080 tors. eta vs tors. theta energy: -118.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1398.030730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.030730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.030730 (E_RNA) where: Base-Base interactions energy: -948.707 where: short stacking energy: -388.637 Base-Backbone interact. energy: -2.089 local terms energy: -447.234691 where: bonds (distance) C4'-P energy: -96.000 bonds (distance) P-C4' energy: -94.653 flat angles C4'-P-C4' energy: -111.346 flat angles P-C4'-P energy: -49.142 tors. eta vs tors. theta energy: -96.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1335.122963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.122963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.122963 (E_RNA) where: Base-Base interactions energy: -925.126 where: short stacking energy: -376.750 Base-Backbone interact. energy: -3.563 local terms energy: -406.433578 where: bonds (distance) C4'-P energy: -79.785 bonds (distance) P-C4' energy: -88.512 flat angles C4'-P-C4' energy: -92.180 flat angles P-C4'-P energy: -61.480 tors. eta vs tors. theta energy: -84.476 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: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1144.096870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.096870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.096870 (E_RNA) where: Base-Base interactions energy: -770.026 where: short stacking energy: -332.682 Base-Backbone interact. energy: 1.552 local terms energy: -375.623044 where: bonds (distance) C4'-P energy: -98.004 bonds (distance) P-C4' energy: -78.646 flat angles C4'-P-C4' energy: -69.737 flat angles P-C4'-P energy: -60.047 tors. eta vs tors. theta energy: -69.189 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: 20 Temperature: 1.350000 Total energy: -1051.892479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.892479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.892479 (E_RNA) where: Base-Base interactions energy: -677.418 where: short stacking energy: -286.029 Base-Backbone interact. energy: 2.747 local terms energy: -377.222244 where: bonds (distance) C4'-P energy: -79.420 bonds (distance) P-C4' energy: -108.578 flat angles C4'-P-C4' energy: -89.624 flat angles P-C4'-P energy: -48.326 tors. eta vs tors. theta energy: -51.275 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: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1895.027726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.027726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.027726 (E_RNA) where: Base-Base interactions energy: -1317.571 where: short stacking energy: -566.263 Base-Backbone interact. energy: -0.339 local terms energy: -577.117364 where: bonds (distance) C4'-P energy: -109.340 bonds (distance) P-C4' energy: -93.457 flat angles C4'-P-C4' energy: -118.648 flat angles P-C4'-P energy: -84.503 tors. eta vs tors. theta energy: -171.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1817.613662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.613662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.613662 (E_RNA) where: Base-Base interactions energy: -1282.091 where: short stacking energy: -536.678 Base-Backbone interact. energy: -2.950 local terms energy: -532.572796 where: bonds (distance) C4'-P energy: -88.736 bonds (distance) P-C4' energy: -89.448 flat angles C4'-P-C4' energy: -113.502 flat angles P-C4'-P energy: -78.383 tors. eta vs tors. theta energy: -162.504 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: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1775.019509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.019509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.019509 (E_RNA) where: Base-Base interactions energy: -1237.119 where: short stacking energy: -512.271 Base-Backbone interact. energy: -1.982 local terms energy: -535.918235 where: bonds (distance) C4'-P energy: -107.318 bonds (distance) P-C4' energy: -96.116 flat angles C4'-P-C4' energy: -108.135 flat angles P-C4'-P energy: -74.336 tors. eta vs tors. theta energy: -150.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1652.799341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.799341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.799341 (E_RNA) where: Base-Base interactions energy: -1134.153 where: short stacking energy: -465.733 Base-Backbone interact. energy: -2.155 local terms energy: -516.490875 where: bonds (distance) C4'-P energy: -97.390 bonds (distance) P-C4' energy: -90.394 flat angles C4'-P-C4' energy: -110.631 flat angles P-C4'-P energy: -97.813 tors. eta vs tors. theta energy: -120.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1575.579911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.579911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.579911 (E_RNA) where: Base-Base interactions energy: -1089.344 where: short stacking energy: -438.706 Base-Backbone interact. energy: -0.326 local terms energy: -485.910082 where: bonds (distance) C4'-P energy: -90.438 bonds (distance) P-C4' energy: -93.326 flat angles C4'-P-C4' energy: -112.610 flat angles P-C4'-P energy: -72.873 tors. eta vs tors. theta energy: -116.663 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: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1510.568322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.568322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.568322 (E_RNA) where: Base-Base interactions energy: -1037.780 where: short stacking energy: -425.890 Base-Backbone interact. energy: -3.018 local terms energy: -469.771048 where: bonds (distance) C4'-P energy: -98.110 bonds (distance) P-C4' energy: -96.584 flat angles C4'-P-C4' energy: -93.873 flat angles P-C4'-P energy: -69.538 tors. eta vs tors. theta energy: -111.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1385.049347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.049347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.049347 (E_RNA) where: Base-Base interactions energy: -915.183 where: short stacking energy: -377.481 Base-Backbone interact. energy: -3.612 local terms energy: -466.254333 where: bonds (distance) C4'-P energy: -98.206 bonds (distance) P-C4' energy: -111.996 flat angles C4'-P-C4' energy: -98.893 flat angles P-C4'-P energy: -56.890 tors. eta vs tors. theta energy: -100.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1344.431019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.431019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.431019 (E_RNA) where: Base-Base interactions energy: -930.079 where: short stacking energy: -370.788 Base-Backbone interact. energy: -2.849 local terms energy: -411.503757 where: bonds (distance) C4'-P energy: -74.062 bonds (distance) P-C4' energy: -89.921 flat angles C4'-P-C4' energy: -89.669 flat angles P-C4'-P energy: -53.103 tors. eta vs tors. theta energy: -104.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1106.205914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.205914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.205914 (E_RNA) where: Base-Base interactions energy: -725.356 where: short stacking energy: -306.506 Base-Backbone interact. energy: -1.422 local terms energy: -379.427674 where: bonds (distance) C4'-P energy: -82.896 bonds (distance) P-C4' energy: -76.790 flat angles C4'-P-C4' energy: -86.229 flat angles P-C4'-P energy: -65.812 tors. eta vs tors. theta energy: -67.701 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: 21 Temperature: 1.350000 Total energy: -1043.150017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.150017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.150017 (E_RNA) where: Base-Base interactions energy: -664.270 where: short stacking energy: -282.761 Base-Backbone interact. energy: -2.100 local terms energy: -376.780046 where: bonds (distance) C4'-P energy: -92.062 bonds (distance) P-C4' energy: -93.456 flat angles C4'-P-C4' energy: -97.153 flat angles P-C4'-P energy: -45.563 tors. eta vs tors. theta energy: -48.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1892.050867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.050867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.050867 (E_RNA) where: Base-Base interactions energy: -1312.266 where: short stacking energy: -558.405 Base-Backbone interact. energy: -3.104 local terms energy: -576.681082 where: bonds (distance) C4'-P energy: -114.055 bonds (distance) P-C4' energy: -107.548 flat angles C4'-P-C4' energy: -127.320 flat angles P-C4'-P energy: -78.877 tors. eta vs tors. theta energy: -148.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1858.138571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.138571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.138571 (E_RNA) where: Base-Base interactions energy: -1297.309 where: short stacking energy: -514.544 Base-Backbone interact. energy: -6.546 local terms energy: -554.283671 where: bonds (distance) C4'-P energy: -97.632 bonds (distance) P-C4' energy: -107.065 flat angles C4'-P-C4' energy: -114.208 flat angles P-C4'-P energy: -72.513 tors. eta vs tors. theta energy: -162.866 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: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1773.663993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.663993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.663993 (E_RNA) where: Base-Base interactions energy: -1221.988 where: short stacking energy: -510.629 Base-Backbone interact. energy: -0.741 local terms energy: -550.935114 where: bonds (distance) C4'-P energy: -95.664 bonds (distance) P-C4' energy: -109.818 flat angles C4'-P-C4' energy: -118.832 flat angles P-C4'-P energy: -79.545 tors. eta vs tors. theta energy: -147.076 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: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1678.562856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.562856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.562856 (E_RNA) where: Base-Base interactions energy: -1153.448 where: short stacking energy: -458.342 Base-Backbone interact. energy: -5.195 local terms energy: -519.919906 where: bonds (distance) C4'-P energy: -112.069 bonds (distance) P-C4' energy: -89.072 flat angles C4'-P-C4' energy: -106.261 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -142.262 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: 22 Temperature: 1.100000 Total energy: -1566.777560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.777560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.777560 (E_RNA) where: Base-Base interactions energy: -1052.340 where: short stacking energy: -463.463 Base-Backbone interact. energy: -2.545 local terms energy: -511.893163 where: bonds (distance) C4'-P energy: -88.477 bonds (distance) P-C4' energy: -109.133 flat angles C4'-P-C4' energy: -108.742 flat angles P-C4'-P energy: -83.247 tors. eta vs tors. theta energy: -122.294 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: 5 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1533.277833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.277833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.277833 (E_RNA) where: Base-Base interactions energy: -1099.009 where: short stacking energy: -440.719 Base-Backbone interact. energy: 0.410 local terms energy: -434.678404 where: bonds (distance) C4'-P energy: -85.830 bonds (distance) P-C4' energy: -80.199 flat angles C4'-P-C4' energy: -104.549 flat angles P-C4'-P energy: -58.902 tors. eta vs tors. theta energy: -105.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1404.898061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.898061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.898061 (E_RNA) where: Base-Base interactions energy: -957.542 where: short stacking energy: -399.151 Base-Backbone interact. energy: -0.506 local terms energy: -446.849624 where: bonds (distance) C4'-P energy: -85.853 bonds (distance) P-C4' energy: -91.391 flat angles C4'-P-C4' energy: -95.953 flat angles P-C4'-P energy: -70.190 tors. eta vs tors. theta energy: -103.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1355.130682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.130682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.130682 (E_RNA) where: Base-Base interactions energy: -914.081 where: short stacking energy: -398.801 Base-Backbone interact. energy: -2.286 local terms energy: -438.763470 where: bonds (distance) C4'-P energy: -90.610 bonds (distance) P-C4' energy: -95.294 flat angles C4'-P-C4' energy: -95.172 flat angles P-C4'-P energy: -48.248 tors. eta vs tors. theta energy: -109.440 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: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1114.266179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.266179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.266179 (E_RNA) where: Base-Base interactions energy: -739.165 where: short stacking energy: -324.596 Base-Backbone interact. energy: -2.071 local terms energy: -373.029670 where: bonds (distance) C4'-P energy: -73.253 bonds (distance) P-C4' energy: -87.741 flat angles C4'-P-C4' energy: -87.377 flat angles P-C4'-P energy: -53.294 tors. eta vs tors. theta energy: -71.364 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: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -997.312489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.312489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.312489 (E_RNA) where: Base-Base interactions energy: -643.556 where: short stacking energy: -245.320 Base-Backbone interact. energy: -2.662 local terms energy: -351.094999 where: bonds (distance) C4'-P energy: -91.909 bonds (distance) P-C4' energy: -86.542 flat angles C4'-P-C4' energy: -74.271 flat angles P-C4'-P energy: -54.315 tors. eta vs tors. theta energy: -44.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1858.881169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.881169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.881169 (E_RNA) where: Base-Base interactions energy: -1279.911 where: short stacking energy: -549.294 Base-Backbone interact. energy: 0.690 local terms energy: -579.660138 where: bonds (distance) C4'-P energy: -102.297 bonds (distance) P-C4' energy: -109.617 flat angles C4'-P-C4' energy: -122.548 flat angles P-C4'-P energy: -80.725 tors. eta vs tors. theta energy: -164.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1810.818051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.818051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.818051 (E_RNA) where: Base-Base interactions energy: -1228.018 where: short stacking energy: -508.610 Base-Backbone interact. energy: -5.500 local terms energy: -577.299914 where: bonds (distance) C4'-P energy: -106.618 bonds (distance) P-C4' energy: -117.417 flat angles C4'-P-C4' energy: -124.494 flat angles P-C4'-P energy: -78.757 tors. eta vs tors. theta energy: -150.014 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: 23 Temperature: 1.000000 Total energy: -1764.849791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.849791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.849791 (E_RNA) where: Base-Base interactions energy: -1224.416 where: short stacking energy: -520.329 Base-Backbone interact. energy: -2.277 local terms energy: -538.156606 where: bonds (distance) C4'-P energy: -95.153 bonds (distance) P-C4' energy: -101.391 flat angles C4'-P-C4' energy: -112.019 flat angles P-C4'-P energy: -72.723 tors. eta vs tors. theta energy: -156.870 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: 23 Temperature: 1.050000 Total energy: -1701.537474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.537474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.537474 (E_RNA) where: Base-Base interactions energy: -1152.213 where: short stacking energy: -469.942 Base-Backbone interact. energy: -2.558 local terms energy: -546.766282 where: bonds (distance) C4'-P energy: -104.108 bonds (distance) P-C4' energy: -102.557 flat angles C4'-P-C4' energy: -122.764 flat angles P-C4'-P energy: -73.372 tors. eta vs tors. theta energy: -143.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1508.340944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.340944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.340944 (E_RNA) where: Base-Base interactions energy: -1016.886 where: short stacking energy: -432.842 Base-Backbone interact. energy: -0.822 local terms energy: -490.633145 where: bonds (distance) C4'-P energy: -87.342 bonds (distance) P-C4' energy: -102.591 flat angles C4'-P-C4' energy: -110.977 flat angles P-C4'-P energy: -74.747 tors. eta vs tors. theta energy: -114.976 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: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1523.823947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.823947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.823947 (E_RNA) where: Base-Base interactions energy: -1063.605 where: short stacking energy: -462.929 Base-Backbone interact. energy: -1.720 local terms energy: -458.498265 where: bonds (distance) C4'-P energy: -87.962 bonds (distance) P-C4' energy: -93.375 flat angles C4'-P-C4' energy: -91.981 flat angles P-C4'-P energy: -64.450 tors. eta vs tors. theta energy: -120.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1389.805963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.805963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.805963 (E_RNA) where: Base-Base interactions energy: -929.159 where: short stacking energy: -396.772 Base-Backbone interact. energy: 1.105 local terms energy: -461.752400 where: bonds (distance) C4'-P energy: -99.500 bonds (distance) P-C4' energy: -105.228 flat angles C4'-P-C4' energy: -103.826 flat angles P-C4'-P energy: -63.677 tors. eta vs tors. theta energy: -89.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1317.619350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.619350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.619350 (E_RNA) where: Base-Base interactions energy: -918.871 where: short stacking energy: -370.960 Base-Backbone interact. energy: -4.805 local terms energy: -393.942941 where: bonds (distance) C4'-P energy: -84.913 bonds (distance) P-C4' energy: -85.601 flat angles C4'-P-C4' energy: -81.602 flat angles P-C4'-P energy: -51.909 tors. eta vs tors. theta energy: -89.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1127.454100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.454100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.454100 (E_RNA) where: Base-Base interactions energy: -714.826 where: short stacking energy: -313.240 Base-Backbone interact. energy: 6.184 local terms energy: -418.812299 where: bonds (distance) C4'-P energy: -77.738 bonds (distance) P-C4' energy: -101.574 flat angles C4'-P-C4' energy: -92.448 flat angles P-C4'-P energy: -72.136 tors. eta vs tors. theta energy: -74.915 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: 23 Temperature: 1.350000 Total energy: -994.156371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.156371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.156371 (E_RNA) where: Base-Base interactions energy: -640.178 where: short stacking energy: -298.290 Base-Backbone interact. energy: -2.579 local terms energy: -351.399832 where: bonds (distance) C4'-P energy: -70.011 bonds (distance) P-C4' energy: -93.558 flat angles C4'-P-C4' energy: -89.386 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: -46.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1857.870139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.870139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.870139 (E_RNA) where: Base-Base interactions energy: -1289.563 where: short stacking energy: -546.208 Base-Backbone interact. energy: -0.766 local terms energy: -567.541351 where: bonds (distance) C4'-P energy: -98.460 bonds (distance) P-C4' energy: -100.211 flat angles C4'-P-C4' energy: -125.812 flat angles P-C4'-P energy: -85.177 tors. eta vs tors. theta energy: -157.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1787.259411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.259411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.259411 (E_RNA) where: Base-Base interactions energy: -1254.453 where: short stacking energy: -531.349 Base-Backbone interact. energy: 0.353 local terms energy: -533.158804 where: bonds (distance) C4'-P energy: -94.172 bonds (distance) P-C4' energy: -89.009 flat angles C4'-P-C4' energy: -121.651 flat angles P-C4'-P energy: -83.440 tors. eta vs tors. theta energy: -144.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1756.098917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.098917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.098917 (E_RNA) where: Base-Base interactions energy: -1220.754 where: short stacking energy: -523.520 Base-Backbone interact. energy: -3.703 local terms energy: -531.641274 where: bonds (distance) C4'-P energy: -107.674 bonds (distance) P-C4' energy: -97.836 flat angles C4'-P-C4' energy: -108.284 flat angles P-C4'-P energy: -71.300 tors. eta vs tors. theta energy: -146.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1666.363567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.363567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.363567 (E_RNA) where: Base-Base interactions energy: -1141.525 where: short stacking energy: -496.066 Base-Backbone interact. energy: -1.397 local terms energy: -523.441941 where: bonds (distance) C4'-P energy: -95.862 bonds (distance) P-C4' energy: -93.503 flat angles C4'-P-C4' energy: -115.960 flat angles P-C4'-P energy: -67.973 tors. eta vs tors. theta energy: -150.145 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: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1531.976944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.976944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.976944 (E_RNA) where: Base-Base interactions energy: -1028.848 where: short stacking energy: -422.589 Base-Backbone interact. energy: -4.852 local terms energy: -498.277433 where: bonds (distance) C4'-P energy: -99.608 bonds (distance) P-C4' energy: -98.648 flat angles C4'-P-C4' energy: -111.777 flat angles P-C4'-P energy: -65.915 tors. eta vs tors. theta energy: -122.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1504.384376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.384376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.384376 (E_RNA) where: Base-Base interactions energy: -1044.829 where: short stacking energy: -433.495 Base-Backbone interact. energy: 1.562 local terms energy: -461.117357 where: bonds (distance) C4'-P energy: -96.900 bonds (distance) P-C4' energy: -85.691 flat angles C4'-P-C4' energy: -105.382 flat angles P-C4'-P energy: -61.358 tors. eta vs tors. theta energy: -111.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1386.898938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.898938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.898938 (E_RNA) where: Base-Base interactions energy: -968.823 where: short stacking energy: -412.115 Base-Backbone interact. energy: -4.325 local terms energy: -413.750387 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -90.426 flat angles C4'-P-C4' energy: -95.785 flat angles P-C4'-P energy: -44.887 tors. eta vs tors. theta energy: -99.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1345.551245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.551245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.551245 (E_RNA) where: Base-Base interactions energy: -902.899 where: short stacking energy: -382.561 Base-Backbone interact. energy: -2.499 local terms energy: -440.153605 where: bonds (distance) C4'-P energy: -93.076 bonds (distance) P-C4' energy: -103.877 flat angles C4'-P-C4' energy: -96.007 flat angles P-C4'-P energy: -51.602 tors. eta vs tors. theta energy: -95.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1032.913027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.913027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.913027 (E_RNA) where: Base-Base interactions energy: -660.095 where: short stacking energy: -295.286 Base-Backbone interact. energy: 0.556 local terms energy: -373.373652 where: bonds (distance) C4'-P energy: -85.146 bonds (distance) P-C4' energy: -99.926 flat angles C4'-P-C4' energy: -96.355 flat angles P-C4'-P energy: -40.263 tors. eta vs tors. theta energy: -51.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -954.283692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.283692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.283692 (E_RNA) where: Base-Base interactions energy: -583.788 where: short stacking energy: -267.258 Base-Backbone interact. energy: -2.047 local terms energy: -368.449149 where: bonds (distance) C4'-P energy: -81.660 bonds (distance) P-C4' energy: -85.188 flat angles C4'-P-C4' energy: -94.259 flat angles P-C4'-P energy: -71.218 tors. eta vs tors. theta energy: -36.123 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: 1 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1883.323535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.323535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.323535 (E_RNA) where: Base-Base interactions energy: -1297.407 where: short stacking energy: -551.142 Base-Backbone interact. energy: -4.903 local terms energy: -581.013483 where: bonds (distance) C4'-P energy: -109.603 bonds (distance) P-C4' energy: -114.902 flat angles C4'-P-C4' energy: -110.550 flat angles P-C4'-P energy: -80.695 tors. eta vs tors. theta energy: -165.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1807.900734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.900734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.900734 (E_RNA) where: Base-Base interactions energy: -1254.568 where: short stacking energy: -535.396 Base-Backbone interact. energy: -1.335 local terms energy: -551.998118 where: bonds (distance) C4'-P energy: -98.727 bonds (distance) P-C4' energy: -96.074 flat angles C4'-P-C4' energy: -115.504 flat angles P-C4'-P energy: -87.709 tors. eta vs tors. theta energy: -153.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1793.035608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.035608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.035608 (E_RNA) where: Base-Base interactions energy: -1232.253 where: short stacking energy: -538.550 Base-Backbone interact. energy: 0.861 local terms energy: -561.643240 where: bonds (distance) C4'-P energy: -103.402 bonds (distance) P-C4' energy: -106.107 flat angles C4'-P-C4' energy: -118.215 flat angles P-C4'-P energy: -79.123 tors. eta vs tors. theta energy: -154.796 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: 25 Temperature: 1.050000 Total energy: -1661.836528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.836528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.836528 (E_RNA) where: Base-Base interactions energy: -1138.122 where: short stacking energy: -489.282 Base-Backbone interact. energy: -3.168 local terms energy: -520.545857 where: bonds (distance) C4'-P energy: -101.092 bonds (distance) P-C4' energy: -89.610 flat angles C4'-P-C4' energy: -108.358 flat angles P-C4'-P energy: -71.155 tors. eta vs tors. theta energy: -150.331 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: 25 Temperature: 1.100000 Total energy: -1521.935235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.935235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.935235 (E_RNA) where: Base-Base interactions energy: -1024.475 where: short stacking energy: -453.356 Base-Backbone interact. energy: -3.907 local terms energy: -493.552796 where: bonds (distance) C4'-P energy: -94.861 bonds (distance) P-C4' energy: -106.505 flat angles C4'-P-C4' energy: -111.947 flat angles P-C4'-P energy: -67.873 tors. eta vs tors. theta energy: -112.367 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: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1508.293872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.293872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.293872 (E_RNA) where: Base-Base interactions energy: -1013.040 where: short stacking energy: -422.575 Base-Backbone interact. energy: -1.116 local terms energy: -494.138067 where: bonds (distance) C4'-P energy: -106.053 bonds (distance) P-C4' energy: -92.617 flat angles C4'-P-C4' energy: -106.045 flat angles P-C4'-P energy: -77.054 tors. eta vs tors. theta energy: -112.369 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: 7, replica: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1396.101434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.101434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.101434 (E_RNA) where: Base-Base interactions energy: -944.526 where: short stacking energy: -409.567 Base-Backbone interact. energy: -1.077 local terms energy: -450.499141 where: bonds (distance) C4'-P energy: -98.188 bonds (distance) P-C4' energy: -86.511 flat angles C4'-P-C4' energy: -100.348 flat angles P-C4'-P energy: -62.982 tors. eta vs tors. theta energy: -102.471 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: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1374.818557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.818557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.818557 (E_RNA) where: Base-Base interactions energy: -922.391 where: short stacking energy: -375.705 Base-Backbone interact. energy: -1.510 local terms energy: -450.916731 where: bonds (distance) C4'-P energy: -98.126 bonds (distance) P-C4' energy: -90.503 flat angles C4'-P-C4' energy: -93.664 flat angles P-C4'-P energy: -61.399 tors. eta vs tors. theta energy: -107.225 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: 25 Temperature: 1.300000 Total energy: -1028.373770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.373770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.373770 (E_RNA) where: Base-Base interactions energy: -664.525 where: short stacking energy: -300.872 Base-Backbone interact. energy: 7.402 local terms energy: -371.250990 where: bonds (distance) C4'-P energy: -79.189 bonds (distance) P-C4' energy: -84.947 flat angles C4'-P-C4' energy: -101.285 flat angles P-C4'-P energy: -56.016 tors. eta vs tors. theta energy: -49.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -963.215728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.215728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.215728 (E_RNA) where: Base-Base interactions energy: -612.611 where: short stacking energy: -277.811 Base-Backbone interact. energy: 3.536 local terms energy: -354.139807 where: bonds (distance) C4'-P energy: -82.164 bonds (distance) P-C4' energy: -80.187 flat angles C4'-P-C4' energy: -92.184 flat angles P-C4'-P energy: -46.319 tors. eta vs tors. theta energy: -53.285 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: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1871.203160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.203160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.203160 (E_RNA) where: Base-Base interactions energy: -1289.201 where: short stacking energy: -538.426 Base-Backbone interact. energy: 2.147 local terms energy: -584.149499 where: bonds (distance) C4'-P energy: -115.149 bonds (distance) P-C4' energy: -107.653 flat angles C4'-P-C4' energy: -126.167 flat angles P-C4'-P energy: -74.600 tors. eta vs tors. theta energy: -160.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1806.383610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.383610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.383610 (E_RNA) where: Base-Base interactions energy: -1258.481 where: short stacking energy: -522.899 Base-Backbone interact. energy: -3.386 local terms energy: -544.516512 where: bonds (distance) C4'-P energy: -93.150 bonds (distance) P-C4' energy: -110.403 flat angles C4'-P-C4' energy: -123.733 flat angles P-C4'-P energy: -67.141 tors. eta vs tors. theta energy: -150.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1765.608582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.608582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.608582 (E_RNA) where: Base-Base interactions energy: -1211.933 where: short stacking energy: -507.649 Base-Backbone interact. energy: -0.309 local terms energy: -553.366991 where: bonds (distance) C4'-P energy: -99.261 bonds (distance) P-C4' energy: -100.889 flat angles C4'-P-C4' energy: -118.971 flat angles P-C4'-P energy: -78.121 tors. eta vs tors. theta energy: -156.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1656.984146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.984146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.984146 (E_RNA) where: Base-Base interactions energy: -1134.723 where: short stacking energy: -487.590 Base-Backbone interact. energy: -3.293 local terms energy: -518.967618 where: bonds (distance) C4'-P energy: -76.304 bonds (distance) P-C4' energy: -107.474 flat angles C4'-P-C4' energy: -115.126 flat angles P-C4'-P energy: -76.869 tors. eta vs tors. theta energy: -143.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1547.745621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.745621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.745621 (E_RNA) where: Base-Base interactions energy: -1047.641 where: short stacking energy: -438.945 Base-Backbone interact. energy: 0.856 local terms energy: -500.960691 where: bonds (distance) C4'-P energy: -84.757 bonds (distance) P-C4' energy: -98.167 flat angles C4'-P-C4' energy: -108.224 flat angles P-C4'-P energy: -72.540 tors. eta vs tors. theta energy: -137.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1496.556319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.556319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.556319 (E_RNA) where: Base-Base interactions energy: -1030.546 where: short stacking energy: -422.804 Base-Backbone interact. energy: 0.271 local terms energy: -466.280839 where: bonds (distance) C4'-P energy: -92.088 bonds (distance) P-C4' energy: -95.506 flat angles C4'-P-C4' energy: -95.230 flat angles P-C4'-P energy: -75.979 tors. eta vs tors. theta energy: -107.478 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: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1406.926686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.926686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.926686 (E_RNA) where: Base-Base interactions energy: -951.961 where: short stacking energy: -385.385 Base-Backbone interact. energy: -0.961 local terms energy: -454.004841 where: bonds (distance) C4'-P energy: -90.411 bonds (distance) P-C4' energy: -90.009 flat angles C4'-P-C4' energy: -97.478 flat angles P-C4'-P energy: -74.401 tors. eta vs tors. theta energy: -101.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1388.928606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.928606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.928606 (E_RNA) where: Base-Base interactions energy: -955.839 where: short stacking energy: -384.676 Base-Backbone interact. energy: -3.079 local terms energy: -430.009781 where: bonds (distance) C4'-P energy: -87.579 bonds (distance) P-C4' energy: -86.499 flat angles C4'-P-C4' energy: -88.149 flat angles P-C4'-P energy: -66.603 tors. eta vs tors. theta energy: -101.179 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: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1066.424697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.424697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.424697 (E_RNA) where: Base-Base interactions energy: -711.564 where: short stacking energy: -285.808 Base-Backbone interact. energy: -0.445 local terms energy: -354.416319 where: bonds (distance) C4'-P energy: -87.483 bonds (distance) P-C4' energy: -90.938 flat angles C4'-P-C4' energy: -87.194 flat angles P-C4'-P energy: -43.288 tors. eta vs tors. theta energy: -45.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -953.352474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.352474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.352474 (E_RNA) where: Base-Base interactions energy: -597.392 where: short stacking energy: -276.382 Base-Backbone interact. energy: 0.040 local terms energy: -356.000261 where: bonds (distance) C4'-P energy: -92.844 bonds (distance) P-C4' energy: -77.452 flat angles C4'-P-C4' energy: -91.790 flat angles P-C4'-P energy: -48.779 tors. eta vs tors. theta energy: -45.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1898.402684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.402684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.402684 (E_RNA) where: Base-Base interactions energy: -1309.389 where: short stacking energy: -551.901 Base-Backbone interact. energy: -4.827 local terms energy: -584.186503 where: bonds (distance) C4'-P energy: -108.591 bonds (distance) P-C4' energy: -105.467 flat angles C4'-P-C4' energy: -126.010 flat angles P-C4'-P energy: -81.820 tors. eta vs tors. theta energy: -162.298 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: 4 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1851.061377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.061377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.061377 (E_RNA) where: Base-Base interactions energy: -1259.851 where: short stacking energy: -547.588 Base-Backbone interact. energy: -1.579 local terms energy: -589.630567 where: bonds (distance) C4'-P energy: -105.316 bonds (distance) P-C4' energy: -113.112 flat angles C4'-P-C4' energy: -117.829 flat angles P-C4'-P energy: -86.548 tors. eta vs tors. theta energy: -166.825 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: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1755.580485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.580485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.580485 (E_RNA) where: Base-Base interactions energy: -1209.761 where: short stacking energy: -510.555 Base-Backbone interact. energy: -1.286 local terms energy: -544.532801 where: bonds (distance) C4'-P energy: -108.013 bonds (distance) P-C4' energy: -98.662 flat angles C4'-P-C4' energy: -117.472 flat angles P-C4'-P energy: -69.963 tors. eta vs tors. theta energy: -150.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1630.529891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.529891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.529891 (E_RNA) where: Base-Base interactions energy: -1100.651 where: short stacking energy: -467.631 Base-Backbone interact. energy: -6.330 local terms energy: -523.548592 where: bonds (distance) C4'-P energy: -92.927 bonds (distance) P-C4' energy: -101.598 flat angles C4'-P-C4' energy: -117.328 flat angles P-C4'-P energy: -79.145 tors. eta vs tors. theta energy: -132.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1564.273381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.273381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.273381 (E_RNA) where: Base-Base interactions energy: -1058.205 where: short stacking energy: -442.094 Base-Backbone interact. energy: -2.416 local terms energy: -503.651705 where: bonds (distance) C4'-P energy: -106.765 bonds (distance) P-C4' energy: -97.919 flat angles C4'-P-C4' energy: -112.701 flat angles P-C4'-P energy: -67.985 tors. eta vs tors. theta energy: -118.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1445.120665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.120665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.120665 (E_RNA) where: Base-Base interactions energy: -986.210 where: short stacking energy: -408.869 Base-Backbone interact. energy: -2.090 local terms energy: -456.820695 where: bonds (distance) C4'-P energy: -93.944 bonds (distance) P-C4' energy: -93.272 flat angles C4'-P-C4' energy: -100.456 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: -104.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1389.741601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.741601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.741601 (E_RNA) where: Base-Base interactions energy: -936.622 where: short stacking energy: -373.347 Base-Backbone interact. energy: 0.415 local terms energy: -453.534230 where: bonds (distance) C4'-P energy: -86.484 bonds (distance) P-C4' energy: -86.818 flat angles C4'-P-C4' energy: -116.518 flat angles P-C4'-P energy: -64.790 tors. eta vs tors. theta energy: -98.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1379.174020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.174020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.174020 (E_RNA) where: Base-Base interactions energy: -909.936 where: short stacking energy: -381.865 Base-Backbone interact. energy: -2.042 local terms energy: -467.196585 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -114.800 flat angles C4'-P-C4' energy: -94.109 flat angles P-C4'-P energy: -65.322 tors. eta vs tors. theta energy: -95.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -985.687609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.687609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.687609 (E_RNA) where: Base-Base interactions energy: -651.597 where: short stacking energy: -291.108 Base-Backbone interact. energy: 2.231 local terms energy: -336.321597 where: bonds (distance) C4'-P energy: -82.885 bonds (distance) P-C4' energy: -85.504 flat angles C4'-P-C4' energy: -84.667 flat angles P-C4'-P energy: -45.875 tors. eta vs tors. theta energy: -37.391 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: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -835.457923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.457923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.457923 (E_RNA) where: Base-Base interactions energy: -498.391 where: short stacking energy: -221.613 Base-Backbone interact. energy: -2.329 local terms energy: -334.738606 where: bonds (distance) C4'-P energy: -76.707 bonds (distance) P-C4' energy: -89.257 flat angles C4'-P-C4' energy: -82.282 flat angles P-C4'-P energy: -50.119 tors. eta vs tors. theta energy: -36.374 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: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1897.066366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.066366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.066366 (E_RNA) where: Base-Base interactions energy: -1296.380 where: short stacking energy: -559.031 Base-Backbone interact. energy: -4.150 local terms energy: -596.535916 where: bonds (distance) C4'-P energy: -115.007 bonds (distance) P-C4' energy: -95.999 flat angles C4'-P-C4' energy: -128.291 flat angles P-C4'-P energy: -89.223 tors. eta vs tors. theta energy: -168.016 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: 28 Temperature: 0.950000 Total energy: -1818.154012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.154012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.154012 (E_RNA) where: Base-Base interactions energy: -1251.262 where: short stacking energy: -553.460 Base-Backbone interact. energy: -2.679 local terms energy: -564.213294 where: bonds (distance) C4'-P energy: -102.835 bonds (distance) P-C4' energy: -99.803 flat angles C4'-P-C4' energy: -130.817 flat angles P-C4'-P energy: -77.571 tors. eta vs tors. theta energy: -153.188 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: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1738.905512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.905512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.905512 (E_RNA) where: Base-Base interactions energy: -1181.841 where: short stacking energy: -488.340 Base-Backbone interact. energy: -2.369 local terms energy: -554.695705 where: bonds (distance) C4'-P energy: -104.546 bonds (distance) P-C4' energy: -114.293 flat angles C4'-P-C4' energy: -119.184 flat angles P-C4'-P energy: -78.186 tors. eta vs tors. theta energy: -138.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1628.557957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.557957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.557957 (E_RNA) where: Base-Base interactions energy: -1121.935 where: short stacking energy: -477.989 Base-Backbone interact. energy: -0.068 local terms energy: -506.555165 where: bonds (distance) C4'-P energy: -91.611 bonds (distance) P-C4' energy: -93.782 flat angles C4'-P-C4' energy: -108.934 flat angles P-C4'-P energy: -70.223 tors. eta vs tors. theta energy: -142.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1559.380114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.380114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.380114 (E_RNA) where: Base-Base interactions energy: -1083.344 where: short stacking energy: -463.321 Base-Backbone interact. energy: 1.252 local terms energy: -477.288328 where: bonds (distance) C4'-P energy: -87.213 bonds (distance) P-C4' energy: -98.272 flat angles C4'-P-C4' energy: -98.343 flat angles P-C4'-P energy: -78.732 tors. eta vs tors. theta energy: -114.728 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: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1472.471765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.471765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.471765 (E_RNA) where: Base-Base interactions energy: -1014.754 where: short stacking energy: -420.620 Base-Backbone interact. energy: 2.550 local terms energy: -460.267709 where: bonds (distance) C4'-P energy: -93.128 bonds (distance) P-C4' energy: -82.727 flat angles C4'-P-C4' energy: -93.792 flat angles P-C4'-P energy: -74.969 tors. eta vs tors. theta energy: -115.652 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: 28 Temperature: 1.200000 Total energy: -1375.383916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.383916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.383916 (E_RNA) where: Base-Base interactions energy: -937.329 where: short stacking energy: -368.970 Base-Backbone interact. energy: -0.799 local terms energy: -437.255965 where: bonds (distance) C4'-P energy: -84.344 bonds (distance) P-C4' energy: -94.984 flat angles C4'-P-C4' energy: -109.536 flat angles P-C4'-P energy: -62.399 tors. eta vs tors. theta energy: -85.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1310.431864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.431864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.431864 (E_RNA) where: Base-Base interactions energy: -880.313 where: short stacking energy: -371.064 Base-Backbone interact. energy: 8.094 local terms energy: -438.212780 where: bonds (distance) C4'-P energy: -75.671 bonds (distance) P-C4' energy: -100.147 flat angles C4'-P-C4' energy: -96.222 flat angles P-C4'-P energy: -78.646 tors. eta vs tors. theta energy: -87.527 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: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1023.958701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.958701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.958701 (E_RNA) where: Base-Base interactions energy: -681.508 where: short stacking energy: -306.480 Base-Backbone interact. energy: -1.441 local terms energy: -341.009181 where: bonds (distance) C4'-P energy: -43.199 bonds (distance) P-C4' energy: -97.283 flat angles C4'-P-C4' energy: -96.326 flat angles P-C4'-P energy: -51.538 tors. eta vs tors. theta energy: -52.662 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: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -788.925200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.925200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.925200 (E_RNA) where: Base-Base interactions energy: -475.628 where: short stacking energy: -227.603 Base-Backbone interact. energy: 0.183 local terms energy: -313.480246 where: bonds (distance) C4'-P energy: -73.933 bonds (distance) P-C4' energy: -84.749 flat angles C4'-P-C4' energy: -78.548 flat angles P-C4'-P energy: -53.338 tors. eta vs tors. theta energy: -22.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1904.319978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.319978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.319978 (E_RNA) where: Base-Base interactions energy: -1323.515 where: short stacking energy: -532.241 Base-Backbone interact. energy: -4.947 local terms energy: -575.857556 where: bonds (distance) C4'-P energy: -106.917 bonds (distance) P-C4' energy: -106.613 flat angles C4'-P-C4' energy: -131.607 flat angles P-C4'-P energy: -69.885 tors. eta vs tors. theta energy: -160.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1816.599679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.599679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.599679 (E_RNA) where: Base-Base interactions energy: -1260.453 where: short stacking energy: -544.339 Base-Backbone interact. energy: 1.210 local terms energy: -557.356712 where: bonds (distance) C4'-P energy: -101.381 bonds (distance) P-C4' energy: -107.407 flat angles C4'-P-C4' energy: -118.275 flat angles P-C4'-P energy: -70.312 tors. eta vs tors. theta energy: -159.981 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: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1732.796010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.796010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.796010 (E_RNA) where: Base-Base interactions energy: -1174.256 where: short stacking energy: -470.884 Base-Backbone interact. energy: -3.261 local terms energy: -555.278706 where: bonds (distance) C4'-P energy: -107.019 bonds (distance) P-C4' energy: -114.183 flat angles C4'-P-C4' energy: -113.140 flat angles P-C4'-P energy: -77.517 tors. eta vs tors. theta energy: -143.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1640.704080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.704080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.704080 (E_RNA) where: Base-Base interactions energy: -1149.562 where: short stacking energy: -476.010 Base-Backbone interact. energy: -5.045 local terms energy: -486.097344 where: bonds (distance) C4'-P energy: -92.070 bonds (distance) P-C4' energy: -92.015 flat angles C4'-P-C4' energy: -112.639 flat angles P-C4'-P energy: -69.524 tors. eta vs tors. theta energy: -119.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1611.109895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.109895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.109895 (E_RNA) where: Base-Base interactions energy: -1100.361 where: short stacking energy: -471.807 Base-Backbone interact. energy: -3.629 local terms energy: -507.119754 where: bonds (distance) C4'-P energy: -83.338 bonds (distance) P-C4' energy: -101.882 flat angles C4'-P-C4' energy: -114.339 flat angles P-C4'-P energy: -80.468 tors. eta vs tors. theta energy: -127.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1484.710587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.710587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.710587 (E_RNA) where: Base-Base interactions energy: -1004.921 where: short stacking energy: -410.285 Base-Backbone interact. energy: -1.600 local terms energy: -478.189786 where: bonds (distance) C4'-P energy: -88.038 bonds (distance) P-C4' energy: -117.635 flat angles C4'-P-C4' energy: -98.409 flat angles P-C4'-P energy: -62.306 tors. eta vs tors. theta energy: -111.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1416.618636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.618636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.618636 (E_RNA) where: Base-Base interactions energy: -986.147 where: short stacking energy: -391.403 Base-Backbone interact. energy: 3.370 local terms energy: -433.841552 where: bonds (distance) C4'-P energy: -103.481 bonds (distance) P-C4' energy: -86.047 flat angles C4'-P-C4' energy: -81.016 flat angles P-C4'-P energy: -61.159 tors. eta vs tors. theta energy: -102.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1258.458914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.458914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.458914 (E_RNA) where: Base-Base interactions energy: -811.221 where: short stacking energy: -338.134 Base-Backbone interact. energy: -1.599 local terms energy: -445.638647 where: bonds (distance) C4'-P energy: -95.163 bonds (distance) P-C4' energy: -94.450 flat angles C4'-P-C4' energy: -98.195 flat angles P-C4'-P energy: -65.950 tors. eta vs tors. theta energy: -91.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1008.868010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.868010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.868010 (E_RNA) where: Base-Base interactions energy: -610.467 where: short stacking energy: -276.857 Base-Backbone interact. energy: -0.422 local terms energy: -397.979713 where: bonds (distance) C4'-P energy: -91.589 bonds (distance) P-C4' energy: -91.020 flat angles C4'-P-C4' energy: -100.144 flat angles P-C4'-P energy: -71.158 tors. eta vs tors. theta energy: -44.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -749.508248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.508248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.508248 (E_RNA) where: Base-Base interactions energy: -424.908 where: short stacking energy: -203.213 Base-Backbone interact. energy: 2.723 local terms energy: -327.323176 where: bonds (distance) C4'-P energy: -93.573 bonds (distance) P-C4' energy: -105.778 flat angles C4'-P-C4' energy: -98.801 flat angles P-C4'-P energy: -29.447 tors. eta vs tors. theta energy: 0.275 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: 1 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1880.676040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.676040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.676040 (E_RNA) where: Base-Base interactions energy: -1301.801 where: short stacking energy: -532.975 Base-Backbone interact. energy: -0.870 local terms energy: -578.004518 where: bonds (distance) C4'-P energy: -110.455 bonds (distance) P-C4' energy: -101.691 flat angles C4'-P-C4' energy: -130.859 flat angles P-C4'-P energy: -83.938 tors. eta vs tors. theta energy: -151.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1812.995957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.995957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.995957 (E_RNA) where: Base-Base interactions energy: -1258.442 where: short stacking energy: -532.105 Base-Backbone interact. energy: 4.404 local terms energy: -558.957491 where: bonds (distance) C4'-P energy: -105.622 bonds (distance) P-C4' energy: -98.668 flat angles C4'-P-C4' energy: -121.776 flat angles P-C4'-P energy: -82.192 tors. eta vs tors. theta energy: -150.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1705.403258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.403258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.403258 (E_RNA) where: Base-Base interactions energy: -1160.717 where: short stacking energy: -489.072 Base-Backbone interact. energy: -1.189 local terms energy: -543.497645 where: bonds (distance) C4'-P energy: -111.061 bonds (distance) P-C4' energy: -97.111 flat angles C4'-P-C4' energy: -120.069 flat angles P-C4'-P energy: -81.569 tors. eta vs tors. theta energy: -133.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1687.390223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.390223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.390223 (E_RNA) where: Base-Base interactions energy: -1169.019 where: short stacking energy: -509.208 Base-Backbone interact. energy: -2.543 local terms energy: -515.828520 where: bonds (distance) C4'-P energy: -97.175 bonds (distance) P-C4' energy: -100.047 flat angles C4'-P-C4' energy: -113.509 flat angles P-C4'-P energy: -63.183 tors. eta vs tors. theta energy: -141.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1598.128791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.128791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.128791 (E_RNA) where: Base-Base interactions energy: -1084.901 where: short stacking energy: -457.357 Base-Backbone interact. energy: 0.806 local terms energy: -514.033580 where: bonds (distance) C4'-P energy: -95.280 bonds (distance) P-C4' energy: -100.348 flat angles C4'-P-C4' energy: -115.111 flat angles P-C4'-P energy: -76.703 tors. eta vs tors. theta energy: -126.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1482.301073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.301073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.301073 (E_RNA) where: Base-Base interactions energy: -986.606 where: short stacking energy: -435.911 Base-Backbone interact. energy: -2.022 local terms energy: -493.672611 where: bonds (distance) C4'-P energy: -116.022 bonds (distance) P-C4' energy: -96.065 flat angles C4'-P-C4' energy: -91.898 flat angles P-C4'-P energy: -73.712 tors. eta vs tors. theta energy: -115.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1387.975546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.975546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.975546 (E_RNA) where: Base-Base interactions energy: -945.533 where: short stacking energy: -404.129 Base-Backbone interact. energy: -2.824 local terms energy: -439.618524 where: bonds (distance) C4'-P energy: -88.131 bonds (distance) P-C4' energy: -98.549 flat angles C4'-P-C4' energy: -91.358 flat angles P-C4'-P energy: -62.372 tors. eta vs tors. theta energy: -99.209 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: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1263.183461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.183461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.183461 (E_RNA) where: Base-Base interactions energy: -847.498 where: short stacking energy: -340.737 Base-Backbone interact. energy: 0.123 local terms energy: -415.808799 where: bonds (distance) C4'-P energy: -64.939 bonds (distance) P-C4' energy: -94.453 flat angles C4'-P-C4' energy: -101.456 flat angles P-C4'-P energy: -73.258 tors. eta vs tors. theta energy: -81.703 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: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -954.144355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.144355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.144355 (E_RNA) where: Base-Base interactions energy: -614.668 where: short stacking energy: -260.868 Base-Backbone interact. energy: 0.359 local terms energy: -339.835398 where: bonds (distance) C4'-P energy: -80.426 bonds (distance) P-C4' energy: -89.498 flat angles C4'-P-C4' energy: -86.738 flat angles P-C4'-P energy: -47.206 tors. eta vs tors. theta energy: -35.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -754.625256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.625256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.625256 (E_RNA) where: Base-Base interactions energy: -446.518 where: short stacking energy: -229.366 Base-Backbone interact. energy: 1.412 local terms energy: -309.519797 where: bonds (distance) C4'-P energy: -88.610 bonds (distance) P-C4' energy: -90.382 flat angles C4'-P-C4' energy: -66.772 flat angles P-C4'-P energy: -38.214 tors. eta vs tors. theta energy: -25.541 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: 1 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1889.941097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.941097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.941097 (E_RNA) where: Base-Base interactions energy: -1309.600 where: short stacking energy: -553.865 Base-Backbone interact. energy: -0.390 local terms energy: -579.951655 where: bonds (distance) C4'-P energy: -100.024 bonds (distance) P-C4' energy: -104.012 flat angles C4'-P-C4' energy: -125.352 flat angles P-C4'-P energy: -90.308 tors. eta vs tors. theta energy: -160.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1815.129719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.129719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.129719 (E_RNA) where: Base-Base interactions energy: -1258.431 where: short stacking energy: -499.014 Base-Backbone interact. energy: 0.336 local terms energy: -557.034791 where: bonds (distance) C4'-P energy: -112.923 bonds (distance) P-C4' energy: -109.463 flat angles C4'-P-C4' energy: -105.454 flat angles P-C4'-P energy: -90.110 tors. eta vs tors. theta energy: -139.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1734.418587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.418587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.418587 (E_RNA) where: Base-Base interactions energy: -1209.214 where: short stacking energy: -486.581 Base-Backbone interact. energy: -1.713 local terms energy: -523.491308 where: bonds (distance) C4'-P energy: -107.965 bonds (distance) P-C4' energy: -93.370 flat angles C4'-P-C4' energy: -107.772 flat angles P-C4'-P energy: -72.909 tors. eta vs tors. theta energy: -141.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1660.526608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.526608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.526608 (E_RNA) where: Base-Base interactions energy: -1133.148 where: short stacking energy: -476.509 Base-Backbone interact. energy: -3.603 local terms energy: -523.775828 where: bonds (distance) C4'-P energy: -93.288 bonds (distance) P-C4' energy: -104.998 flat angles C4'-P-C4' energy: -117.878 flat angles P-C4'-P energy: -75.425 tors. eta vs tors. theta energy: -132.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1578.759836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.759836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.759836 (E_RNA) where: Base-Base interactions energy: -1082.907 where: short stacking energy: -454.761 Base-Backbone interact. energy: 4.316 local terms energy: -500.169199 where: bonds (distance) C4'-P energy: -98.676 bonds (distance) P-C4' energy: -96.538 flat angles C4'-P-C4' energy: -114.828 flat angles P-C4'-P energy: -63.377 tors. eta vs tors. theta energy: -126.750 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: 31 Temperature: 1.150000 Total energy: -1500.800948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.800948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.800948 (E_RNA) where: Base-Base interactions energy: -1039.104 where: short stacking energy: -439.980 Base-Backbone interact. energy: -5.180 local terms energy: -456.517244 where: bonds (distance) C4'-P energy: -64.170 bonds (distance) P-C4' energy: -101.981 flat angles C4'-P-C4' energy: -110.230 flat angles P-C4'-P energy: -55.798 tors. eta vs tors. theta energy: -124.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1414.975605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.975605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.975605 (E_RNA) where: Base-Base interactions energy: -970.006 where: short stacking energy: -385.280 Base-Backbone interact. energy: 1.414 local terms energy: -446.384090 where: bonds (distance) C4'-P energy: -85.667 bonds (distance) P-C4' energy: -89.650 flat angles C4'-P-C4' energy: -107.344 flat angles P-C4'-P energy: -72.405 tors. eta vs tors. theta energy: -91.318 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: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1269.062905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.062905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.062905 (E_RNA) where: Base-Base interactions energy: -863.555 where: short stacking energy: -335.011 Base-Backbone interact. energy: 0.367 local terms energy: -405.874753 where: bonds (distance) C4'-P energy: -77.326 bonds (distance) P-C4' energy: -105.808 flat angles C4'-P-C4' energy: -88.663 flat angles P-C4'-P energy: -64.664 tors. eta vs tors. theta energy: -69.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1032.602051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.602051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.602051 (E_RNA) where: Base-Base interactions energy: -686.783 where: short stacking energy: -277.128 Base-Backbone interact. energy: -0.985 local terms energy: -344.833697 where: bonds (distance) C4'-P energy: -82.247 bonds (distance) P-C4' energy: -87.981 flat angles C4'-P-C4' energy: -70.771 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -53.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -679.570486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.570486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.570486 (E_RNA) where: Base-Base interactions energy: -368.931 where: short stacking energy: -199.303 Base-Backbone interact. energy: 3.356 local terms energy: -313.994863 where: bonds (distance) C4'-P energy: -90.052 bonds (distance) P-C4' energy: -78.003 flat angles C4'-P-C4' energy: -70.372 flat angles P-C4'-P energy: -47.113 tors. eta vs tors. theta energy: -28.455 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: 1 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1885.394934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.394934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.394934 (E_RNA) where: Base-Base interactions energy: -1299.498 where: short stacking energy: -540.158 Base-Backbone interact. energy: -1.254 local terms energy: -584.642086 where: bonds (distance) C4'-P energy: -103.370 bonds (distance) P-C4' energy: -94.620 flat angles C4'-P-C4' energy: -125.864 flat angles P-C4'-P energy: -93.551 tors. eta vs tors. theta energy: -167.237 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: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1832.453932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.453932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.453932 (E_RNA) where: Base-Base interactions energy: -1263.639 where: short stacking energy: -529.072 Base-Backbone interact. energy: -3.077 local terms energy: -565.737594 where: bonds (distance) C4'-P energy: -105.757 bonds (distance) P-C4' energy: -111.729 flat angles C4'-P-C4' energy: -119.274 flat angles P-C4'-P energy: -79.012 tors. eta vs tors. theta energy: -149.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1736.272667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.272667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.272667 (E_RNA) where: Base-Base interactions energy: -1200.279 where: short stacking energy: -498.593 Base-Backbone interact. energy: -2.072 local terms energy: -533.922324 where: bonds (distance) C4'-P energy: -101.601 bonds (distance) P-C4' energy: -107.950 flat angles C4'-P-C4' energy: -110.810 flat angles P-C4'-P energy: -72.654 tors. eta vs tors. theta energy: -140.909 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: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1654.113754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.113754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.113754 (E_RNA) where: Base-Base interactions energy: -1127.315 where: short stacking energy: -470.240 Base-Backbone interact. energy: -0.962 local terms energy: -525.836847 where: bonds (distance) C4'-P energy: -88.597 bonds (distance) P-C4' energy: -112.239 flat angles C4'-P-C4' energy: -102.791 flat angles P-C4'-P energy: -81.538 tors. eta vs tors. theta energy: -140.671 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: 5, replica: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1585.596365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.596365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.596365 (E_RNA) where: Base-Base interactions energy: -1059.859 where: short stacking energy: -443.065 Base-Backbone interact. energy: -2.093 local terms energy: -523.644438 where: bonds (distance) C4'-P energy: -112.040 bonds (distance) P-C4' energy: -99.513 flat angles C4'-P-C4' energy: -115.057 flat angles P-C4'-P energy: -67.668 tors. eta vs tors. theta energy: -129.366 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: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1410.163618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.163618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.163618 (E_RNA) where: Base-Base interactions energy: -944.024 where: short stacking energy: -415.543 Base-Backbone interact. energy: -0.283 local terms energy: -465.855848 where: bonds (distance) C4'-P energy: -80.035 bonds (distance) P-C4' energy: -94.519 flat angles C4'-P-C4' energy: -119.055 flat angles P-C4'-P energy: -66.720 tors. eta vs tors. theta energy: -105.527 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: 32 Temperature: 1.200000 Total energy: -1410.229233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.229233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.229233 (E_RNA) where: Base-Base interactions energy: -980.013 where: short stacking energy: -406.521 Base-Backbone interact. energy: -3.425 local terms energy: -426.790523 where: bonds (distance) C4'-P energy: -77.107 bonds (distance) P-C4' energy: -83.819 flat angles C4'-P-C4' energy: -100.273 flat angles P-C4'-P energy: -72.382 tors. eta vs tors. theta energy: -93.209 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: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1308.817199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.817199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.817199 (E_RNA) where: Base-Base interactions energy: -876.714 where: short stacking energy: -365.400 Base-Backbone interact. energy: -1.782 local terms energy: -430.321346 where: bonds (distance) C4'-P energy: -77.432 bonds (distance) P-C4' energy: -106.382 flat angles C4'-P-C4' energy: -96.769 flat angles P-C4'-P energy: -55.019 tors. eta vs tors. theta energy: -94.719 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: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -974.617128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.617128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.617128 (E_RNA) where: Base-Base interactions energy: -611.163 where: short stacking energy: -250.983 Base-Backbone interact. energy: -1.157 local terms energy: -362.296991 where: bonds (distance) C4'-P energy: -79.887 bonds (distance) P-C4' energy: -109.375 flat angles C4'-P-C4' energy: -88.996 flat angles P-C4'-P energy: -56.026 tors. eta vs tors. theta energy: -28.013 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: 10, replica: 8 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -728.591654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.591654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.591654 (E_RNA) where: Base-Base interactions energy: -374.502 where: short stacking energy: -204.298 Base-Backbone interact. energy: 1.127 local terms energy: -355.216421 where: bonds (distance) C4'-P energy: -86.751 bonds (distance) P-C4' energy: -90.418 flat angles C4'-P-C4' energy: -95.064 flat angles P-C4'-P energy: -55.314 tors. eta vs tors. theta energy: -27.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1876.852613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.852613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.852613 (E_RNA) where: Base-Base interactions energy: -1296.745 where: short stacking energy: -565.818 Base-Backbone interact. energy: -2.486 local terms energy: -577.621735 where: bonds (distance) C4'-P energy: -94.487 bonds (distance) P-C4' energy: -104.505 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -81.341 tors. eta vs tors. theta energy: -163.612 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: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1808.231765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.231765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.231765 (E_RNA) where: Base-Base interactions energy: -1248.053 where: short stacking energy: -522.653 Base-Backbone interact. energy: -5.179 local terms energy: -554.999434 where: bonds (distance) C4'-P energy: -92.162 bonds (distance) P-C4' energy: -103.682 flat angles C4'-P-C4' energy: -134.090 flat angles P-C4'-P energy: -82.331 tors. eta vs tors. theta energy: -142.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1734.355450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.355450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.355450 (E_RNA) where: Base-Base interactions energy: -1189.188 where: short stacking energy: -501.946 Base-Backbone interact. energy: -2.684 local terms energy: -542.484151 where: bonds (distance) C4'-P energy: -103.189 bonds (distance) P-C4' energy: -88.450 flat angles C4'-P-C4' energy: -129.762 flat angles P-C4'-P energy: -77.991 tors. eta vs tors. theta energy: -143.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1623.501469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.501469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.501469 (E_RNA) where: Base-Base interactions energy: -1104.854 where: short stacking energy: -485.360 Base-Backbone interact. energy: -2.818 local terms energy: -515.829421 where: bonds (distance) C4'-P energy: -88.694 bonds (distance) P-C4' energy: -101.872 flat angles C4'-P-C4' energy: -104.002 flat angles P-C4'-P energy: -82.585 tors. eta vs tors. theta energy: -138.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1612.855162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.855162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.855162 (E_RNA) where: Base-Base interactions energy: -1114.135 where: short stacking energy: -473.601 Base-Backbone interact. energy: -3.513 local terms energy: -495.207188 where: bonds (distance) C4'-P energy: -107.662 bonds (distance) P-C4' energy: -94.358 flat angles C4'-P-C4' energy: -104.038 flat angles P-C4'-P energy: -67.498 tors. eta vs tors. theta energy: -121.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1384.002951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.002951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.002951 (E_RNA) where: Base-Base interactions energy: -923.838 where: short stacking energy: -368.020 Base-Backbone interact. energy: 0.498 local terms energy: -460.663697 where: bonds (distance) C4'-P energy: -104.542 bonds (distance) P-C4' energy: -97.604 flat angles C4'-P-C4' energy: -97.919 flat angles P-C4'-P energy: -66.464 tors. eta vs tors. theta energy: -94.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1436.349778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.349778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.349778 (E_RNA) where: Base-Base interactions energy: -957.290 where: short stacking energy: -387.714 Base-Backbone interact. energy: -0.341 local terms energy: -478.718486 where: bonds (distance) C4'-P energy: -110.997 bonds (distance) P-C4' energy: -94.480 flat angles C4'-P-C4' energy: -100.988 flat angles P-C4'-P energy: -69.169 tors. eta vs tors. theta energy: -103.085 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: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1252.608751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.608751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.608751 (E_RNA) where: Base-Base interactions energy: -849.606 where: short stacking energy: -366.401 Base-Backbone interact. energy: 2.689 local terms energy: -405.692148 where: bonds (distance) C4'-P energy: -94.983 bonds (distance) P-C4' energy: -77.558 flat angles C4'-P-C4' energy: -89.227 flat angles P-C4'-P energy: -61.638 tors. eta vs tors. theta energy: -82.286 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: 33 Temperature: 1.300000 Total energy: -1081.750513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.750513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.750513 (E_RNA) where: Base-Base interactions energy: -706.283 where: short stacking energy: -298.675 Base-Backbone interact. energy: -1.419 local terms energy: -374.048094 where: bonds (distance) C4'-P energy: -89.519 bonds (distance) P-C4' energy: -82.785 flat angles C4'-P-C4' energy: -90.718 flat angles P-C4'-P energy: -60.208 tors. eta vs tors. theta energy: -50.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -701.811914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.811914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.811914 (E_RNA) where: Base-Base interactions energy: -393.385 where: short stacking energy: -210.071 Base-Backbone interact. energy: -0.789 local terms energy: -307.637234 where: bonds (distance) C4'-P energy: -79.515 bonds (distance) P-C4' energy: -81.138 flat angles C4'-P-C4' energy: -72.995 flat angles P-C4'-P energy: -48.263 tors. eta vs tors. theta energy: -25.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1895.223737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.223737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.223737 (E_RNA) where: Base-Base interactions energy: -1304.797 where: short stacking energy: -543.621 Base-Backbone interact. energy: -0.466 local terms energy: -589.959989 where: bonds (distance) C4'-P energy: -113.610 bonds (distance) P-C4' energy: -111.229 flat angles C4'-P-C4' energy: -121.823 flat angles P-C4'-P energy: -79.928 tors. eta vs tors. theta energy: -163.370 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: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1811.662445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.662445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.662445 (E_RNA) where: Base-Base interactions energy: -1249.264 where: short stacking energy: -539.159 Base-Backbone interact. energy: -0.509 local terms energy: -561.889396 where: bonds (distance) C4'-P energy: -104.989 bonds (distance) P-C4' energy: -101.739 flat angles C4'-P-C4' energy: -111.750 flat angles P-C4'-P energy: -86.373 tors. eta vs tors. theta energy: -157.038 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: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1749.633243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.633243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.633243 (E_RNA) where: Base-Base interactions energy: -1205.214 where: short stacking energy: -503.943 Base-Backbone interact. energy: 0.468 local terms energy: -544.887498 where: bonds (distance) C4'-P energy: -101.413 bonds (distance) P-C4' energy: -108.658 flat angles C4'-P-C4' energy: -114.211 flat angles P-C4'-P energy: -81.935 tors. eta vs tors. theta energy: -138.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1648.443027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.443027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.443027 (E_RNA) where: Base-Base interactions energy: -1138.328 where: short stacking energy: -477.491 Base-Backbone interact. energy: -2.682 local terms energy: -507.433402 where: bonds (distance) C4'-P energy: -101.970 bonds (distance) P-C4' energy: -95.835 flat angles C4'-P-C4' energy: -105.873 flat angles P-C4'-P energy: -73.408 tors. eta vs tors. theta energy: -130.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1569.831789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.831789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.831789 (E_RNA) where: Base-Base interactions energy: -1081.558 where: short stacking energy: -457.831 Base-Backbone interact. energy: -1.605 local terms energy: -486.668437 where: bonds (distance) C4'-P energy: -97.571 bonds (distance) P-C4' energy: -74.353 flat angles C4'-P-C4' energy: -116.706 flat angles P-C4'-P energy: -75.378 tors. eta vs tors. theta energy: -122.661 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: 6, replica: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1438.003017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.003017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.003017 (E_RNA) where: Base-Base interactions energy: -991.650 where: short stacking energy: -393.996 Base-Backbone interact. energy: -2.488 local terms energy: -443.864546 where: bonds (distance) C4'-P energy: -95.405 bonds (distance) P-C4' energy: -100.428 flat angles C4'-P-C4' energy: -90.387 flat angles P-C4'-P energy: -51.608 tors. eta vs tors. theta energy: -106.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1410.115069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.115069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.115069 (E_RNA) where: Base-Base interactions energy: -955.800 where: short stacking energy: -413.656 Base-Backbone interact. energy: -2.293 local terms energy: -452.022279 where: bonds (distance) C4'-P energy: -78.717 bonds (distance) P-C4' energy: -108.431 flat angles C4'-P-C4' energy: -100.151 flat angles P-C4'-P energy: -68.467 tors. eta vs tors. theta energy: -96.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1226.652323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.652323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.652323 (E_RNA) where: Base-Base interactions energy: -824.581 where: short stacking energy: -333.726 Base-Backbone interact. energy: -0.514 local terms energy: -401.557608 where: bonds (distance) C4'-P energy: -104.197 bonds (distance) P-C4' energy: -86.284 flat angles C4'-P-C4' energy: -73.681 flat angles P-C4'-P energy: -63.748 tors. eta vs tors. theta energy: -73.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1048.646728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.646728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.646728 (E_RNA) where: Base-Base interactions energy: -672.399 where: short stacking energy: -279.900 Base-Backbone interact. energy: -1.020 local terms energy: -375.227128 where: bonds (distance) C4'-P energy: -87.399 bonds (distance) P-C4' energy: -93.260 flat angles C4'-P-C4' energy: -100.139 flat angles P-C4'-P energy: -50.535 tors. eta vs tors. theta energy: -43.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -680.071837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.071837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.071837 (E_RNA) where: Base-Base interactions energy: -370.808 where: short stacking energy: -186.239 Base-Backbone interact. energy: 2.846 local terms energy: -312.109774 where: bonds (distance) C4'-P energy: -89.493 bonds (distance) P-C4' energy: -82.962 flat angles C4'-P-C4' energy: -74.588 flat angles P-C4'-P energy: -51.228 tors. eta vs tors. theta energy: -13.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1894.908298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.908298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.908298 (E_RNA) where: Base-Base interactions energy: -1300.147 where: short stacking energy: -534.759 Base-Backbone interact. energy: -6.173 local terms energy: -588.587747 where: bonds (distance) C4'-P energy: -104.056 bonds (distance) P-C4' energy: -121.028 flat angles C4'-P-C4' energy: -119.748 flat angles P-C4'-P energy: -83.584 tors. eta vs tors. theta energy: -160.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1799.417158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.417158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.417158 (E_RNA) where: Base-Base interactions energy: -1241.071 where: short stacking energy: -521.127 Base-Backbone interact. energy: -3.680 local terms energy: -554.666257 where: bonds (distance) C4'-P energy: -102.545 bonds (distance) P-C4' energy: -106.048 flat angles C4'-P-C4' energy: -125.228 flat angles P-C4'-P energy: -71.695 tors. eta vs tors. theta energy: -149.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1748.087632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.087632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.087632 (E_RNA) where: Base-Base interactions energy: -1211.951 where: short stacking energy: -495.659 Base-Backbone interact. energy: -3.084 local terms energy: -533.052233 where: bonds (distance) C4'-P energy: -102.479 bonds (distance) P-C4' energy: -93.220 flat angles C4'-P-C4' energy: -121.644 flat angles P-C4'-P energy: -77.015 tors. eta vs tors. theta energy: -138.694 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: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1620.977299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.977299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.977299 (E_RNA) where: Base-Base interactions energy: -1134.636 where: short stacking energy: -461.284 Base-Backbone interact. energy: -1.219 local terms energy: -485.122584 where: bonds (distance) C4'-P energy: -102.785 bonds (distance) P-C4' energy: -89.430 flat angles C4'-P-C4' energy: -108.270 flat angles P-C4'-P energy: -65.918 tors. eta vs tors. theta energy: -118.720 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: 5 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1579.242950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.242950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.242950 (E_RNA) where: Base-Base interactions energy: -1073.251 where: short stacking energy: -468.432 Base-Backbone interact. energy: -1.305 local terms energy: -504.687187 where: bonds (distance) C4'-P energy: -97.682 bonds (distance) P-C4' energy: -102.157 flat angles C4'-P-C4' energy: -117.894 flat angles P-C4'-P energy: -62.372 tors. eta vs tors. theta energy: -124.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1521.805221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.805221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.805221 (E_RNA) where: Base-Base interactions energy: -1053.920 where: short stacking energy: -425.679 Base-Backbone interact. energy: 3.488 local terms energy: -471.373240 where: bonds (distance) C4'-P energy: -79.329 bonds (distance) P-C4' energy: -98.175 flat angles C4'-P-C4' energy: -110.668 flat angles P-C4'-P energy: -61.047 tors. eta vs tors. theta energy: -122.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1396.667298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.667298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.667298 (E_RNA) where: Base-Base interactions energy: -943.272 where: short stacking energy: -377.740 Base-Backbone interact. energy: -1.189 local terms energy: -452.205541 where: bonds (distance) C4'-P energy: -105.074 bonds (distance) P-C4' energy: -95.443 flat angles C4'-P-C4' energy: -113.784 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: -99.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1236.404792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.404792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.404792 (E_RNA) where: Base-Base interactions energy: -828.735 where: short stacking energy: -339.822 Base-Backbone interact. energy: -0.409 local terms energy: -407.261060 where: bonds (distance) C4'-P energy: -90.499 bonds (distance) P-C4' energy: -70.254 flat angles C4'-P-C4' energy: -94.284 flat angles P-C4'-P energy: -71.493 tors. eta vs tors. theta energy: -80.732 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1046.804695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.804695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.804695 (E_RNA) where: Base-Base interactions energy: -666.876 where: short stacking energy: -289.829 Base-Backbone interact. energy: 3.204 local terms energy: -383.132754 where: bonds (distance) C4'-P energy: -75.221 bonds (distance) P-C4' energy: -108.711 flat angles C4'-P-C4' energy: -85.741 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: -56.526 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: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -699.811761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.811761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.811761 (E_RNA) where: Base-Base interactions energy: -378.740 where: short stacking energy: -205.558 Base-Backbone interact. energy: -1.410 local terms energy: -319.661714 where: bonds (distance) C4'-P energy: -75.379 bonds (distance) P-C4' energy: -94.706 flat angles C4'-P-C4' energy: -83.490 flat angles P-C4'-P energy: -46.410 tors. eta vs tors. theta energy: -19.677 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: 1 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1886.835687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.835687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.835687 (E_RNA) where: Base-Base interactions energy: -1306.435 where: short stacking energy: -527.939 Base-Backbone interact. energy: -4.501 local terms energy: -575.899097 where: bonds (distance) C4'-P energy: -107.910 bonds (distance) P-C4' energy: -117.110 flat angles C4'-P-C4' energy: -116.608 flat angles P-C4'-P energy: -80.612 tors. eta vs tors. theta energy: -153.658 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: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1798.372512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.372512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.372512 (E_RNA) where: Base-Base interactions energy: -1236.470 where: short stacking energy: -516.954 Base-Backbone interact. energy: -1.878 local terms energy: -560.023808 where: bonds (distance) C4'-P energy: -109.632 bonds (distance) P-C4' energy: -113.328 flat angles C4'-P-C4' energy: -119.714 flat angles P-C4'-P energy: -67.090 tors. eta vs tors. theta energy: -150.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1786.705893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.705893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.705893 (E_RNA) where: Base-Base interactions energy: -1238.611 where: short stacking energy: -518.409 Base-Backbone interact. energy: -2.794 local terms energy: -545.301695 where: bonds (distance) C4'-P energy: -89.036 bonds (distance) P-C4' energy: -114.703 flat angles C4'-P-C4' energy: -116.704 flat angles P-C4'-P energy: -85.299 tors. eta vs tors. theta energy: -139.559 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: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1648.063303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.063303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.063303 (E_RNA) where: Base-Base interactions energy: -1122.935 where: short stacking energy: -467.793 Base-Backbone interact. energy: -2.022 local terms energy: -523.106334 where: bonds (distance) C4'-P energy: -114.770 bonds (distance) P-C4' energy: -95.794 flat angles C4'-P-C4' energy: -110.104 flat angles P-C4'-P energy: -76.295 tors. eta vs tors. theta energy: -126.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1555.233071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.233071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.233071 (E_RNA) where: Base-Base interactions energy: -1062.952 where: short stacking energy: -407.294 Base-Backbone interact. energy: -2.134 local terms energy: -490.147144 where: bonds (distance) C4'-P energy: -101.255 bonds (distance) P-C4' energy: -95.499 flat angles C4'-P-C4' energy: -100.305 flat angles P-C4'-P energy: -89.043 tors. eta vs tors. theta energy: -104.045 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: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1469.456016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.456016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.456016 (E_RNA) where: Base-Base interactions energy: -1017.998 where: short stacking energy: -424.799 Base-Backbone interact. energy: 0.448 local terms energy: -451.905768 where: bonds (distance) C4'-P energy: -106.721 bonds (distance) P-C4' energy: -83.301 flat angles C4'-P-C4' energy: -103.656 flat angles P-C4'-P energy: -57.685 tors. eta vs tors. theta energy: -100.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1464.005143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.005143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.005143 (E_RNA) where: Base-Base interactions energy: -1012.423 where: short stacking energy: -411.254 Base-Backbone interact. energy: -3.098 local terms energy: -448.483713 where: bonds (distance) C4'-P energy: -97.945 bonds (distance) P-C4' energy: -88.766 flat angles C4'-P-C4' energy: -95.960 flat angles P-C4'-P energy: -58.085 tors. eta vs tors. theta energy: -107.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1275.736912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.736912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.736912 (E_RNA) where: Base-Base interactions energy: -875.275 where: short stacking energy: -387.694 Base-Backbone interact. energy: -0.614 local terms energy: -399.848364 where: bonds (distance) C4'-P energy: -83.321 bonds (distance) P-C4' energy: -81.918 flat angles C4'-P-C4' energy: -96.921 flat angles P-C4'-P energy: -64.310 tors. eta vs tors. theta energy: -73.379 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: 36 Temperature: 1.300000 Total energy: -1013.295176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.295176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.295176 (E_RNA) where: Base-Base interactions energy: -651.714 where: short stacking energy: -271.830 Base-Backbone interact. energy: -1.103 local terms energy: -360.477865 where: bonds (distance) C4'-P energy: -86.315 bonds (distance) P-C4' energy: -89.022 flat angles C4'-P-C4' energy: -84.988 flat angles P-C4'-P energy: -60.654 tors. eta vs tors. theta energy: -39.499 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: 8 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -750.685739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.685739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.685739 (E_RNA) where: Base-Base interactions energy: -442.524 where: short stacking energy: -198.925 Base-Backbone interact. energy: -3.330 local terms energy: -304.831123 where: bonds (distance) C4'-P energy: -78.600 bonds (distance) P-C4' energy: -82.019 flat angles C4'-P-C4' energy: -81.002 flat angles P-C4'-P energy: -44.858 tors. eta vs tors. theta energy: -18.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1914.121437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.121437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.121437 (E_RNA) where: Base-Base interactions energy: -1317.422 where: short stacking energy: -564.480 Base-Backbone interact. energy: -3.726 local terms energy: -592.973551 where: bonds (distance) C4'-P energy: -99.795 bonds (distance) P-C4' energy: -112.578 flat angles C4'-P-C4' energy: -121.881 flat angles P-C4'-P energy: -83.280 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: 2, replica: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1804.592269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.592269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.592269 (E_RNA) where: Base-Base interactions energy: -1244.644 where: short stacking energy: -523.227 Base-Backbone interact. energy: -1.353 local terms energy: -558.596060 where: bonds (distance) C4'-P energy: -97.824 bonds (distance) P-C4' energy: -113.749 flat angles C4'-P-C4' energy: -118.205 flat angles P-C4'-P energy: -84.672 tors. eta vs tors. theta energy: -144.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1742.728211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.728211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.728211 (E_RNA) where: Base-Base interactions energy: -1208.362 where: short stacking energy: -484.360 Base-Backbone interact. energy: -4.672 local terms energy: -529.694062 where: bonds (distance) C4'-P energy: -96.741 bonds (distance) P-C4' energy: -94.512 flat angles C4'-P-C4' energy: -116.690 flat angles P-C4'-P energy: -83.016 tors. eta vs tors. theta energy: -138.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1626.361022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.361022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.361022 (E_RNA) where: Base-Base interactions energy: -1129.058 where: short stacking energy: -444.116 Base-Backbone interact. energy: 2.774 local terms energy: -500.077296 where: bonds (distance) C4'-P energy: -90.334 bonds (distance) P-C4' energy: -99.278 flat angles C4'-P-C4' energy: -106.387 flat angles P-C4'-P energy: -75.314 tors. eta vs tors. theta energy: -128.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1572.262032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.262032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.262032 (E_RNA) where: Base-Base interactions energy: -1052.726 where: short stacking energy: -447.981 Base-Backbone interact. energy: 0.989 local terms energy: -520.525074 where: bonds (distance) C4'-P energy: -111.468 bonds (distance) P-C4' energy: -110.351 flat angles C4'-P-C4' energy: -101.581 flat angles P-C4'-P energy: -78.683 tors. eta vs tors. theta energy: -118.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1495.297372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.297372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.297372 (E_RNA) where: Base-Base interactions energy: -1011.127 where: short stacking energy: -422.976 Base-Backbone interact. energy: -0.289 local terms energy: -483.881742 where: bonds (distance) C4'-P energy: -93.173 bonds (distance) P-C4' energy: -85.984 flat angles C4'-P-C4' energy: -110.825 flat angles P-C4'-P energy: -75.358 tors. eta vs tors. theta energy: -118.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1441.747910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.747910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.747910 (E_RNA) where: Base-Base interactions energy: -973.819 where: short stacking energy: -403.605 Base-Backbone interact. energy: 0.763 local terms energy: -468.692631 where: bonds (distance) C4'-P energy: -90.515 bonds (distance) P-C4' energy: -89.435 flat angles C4'-P-C4' energy: -109.430 flat angles P-C4'-P energy: -61.121 tors. eta vs tors. theta energy: -118.192 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: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1254.325794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.325794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.325794 (E_RNA) where: Base-Base interactions energy: -812.929 where: short stacking energy: -352.055 Base-Backbone interact. energy: -1.283 local terms energy: -440.113216 where: bonds (distance) C4'-P energy: -88.774 bonds (distance) P-C4' energy: -98.900 flat angles C4'-P-C4' energy: -98.176 flat angles P-C4'-P energy: -56.441 tors. eta vs tors. theta energy: -97.823 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: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1093.629473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.629473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.629473 (E_RNA) where: Base-Base interactions energy: -729.322 where: short stacking energy: -316.532 Base-Backbone interact. energy: -1.171 local terms energy: -363.136477 where: bonds (distance) C4'-P energy: -73.426 bonds (distance) P-C4' energy: -67.075 flat angles C4'-P-C4' energy: -100.345 flat angles P-C4'-P energy: -59.119 tors. eta vs tors. theta energy: -63.172 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: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -718.970339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.970339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.970339 (E_RNA) where: Base-Base interactions energy: -407.862 where: short stacking energy: -213.607 Base-Backbone interact. energy: 6.199 local terms energy: -317.306749 where: bonds (distance) C4'-P energy: -89.951 bonds (distance) P-C4' energy: -71.459 flat angles C4'-P-C4' energy: -89.154 flat angles P-C4'-P energy: -49.379 tors. eta vs tors. theta energy: -17.364 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: 1 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1893.063563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.063563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.063563 (E_RNA) where: Base-Base interactions energy: -1292.980 where: short stacking energy: -535.532 Base-Backbone interact. energy: -2.484 local terms energy: -597.599599 where: bonds (distance) C4'-P energy: -117.166 bonds (distance) P-C4' energy: -120.380 flat angles C4'-P-C4' energy: -117.704 flat angles P-C4'-P energy: -82.289 tors. eta vs tors. theta energy: -160.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1821.705561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.705561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.705561 (E_RNA) where: Base-Base interactions energy: -1256.463 where: short stacking energy: -535.696 Base-Backbone interact. energy: -4.815 local terms energy: -560.427185 where: bonds (distance) C4'-P energy: -110.342 bonds (distance) P-C4' energy: -105.602 flat angles C4'-P-C4' energy: -109.413 flat angles P-C4'-P energy: -76.789 tors. eta vs tors. theta energy: -158.282 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: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1795.005323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.005323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.005323 (E_RNA) where: Base-Base interactions energy: -1242.274 where: short stacking energy: -510.236 Base-Backbone interact. energy: -4.574 local terms energy: -548.156786 where: bonds (distance) C4'-P energy: -105.761 bonds (distance) P-C4' energy: -106.983 flat angles C4'-P-C4' energy: -110.913 flat angles P-C4'-P energy: -66.653 tors. eta vs tors. theta energy: -157.847 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: 38 Temperature: 1.050000 Total energy: -1637.531118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.531118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.531118 (E_RNA) where: Base-Base interactions energy: -1126.588 where: short stacking energy: -470.052 Base-Backbone interact. energy: -3.408 local terms energy: -507.535882 where: bonds (distance) C4'-P energy: -95.520 bonds (distance) P-C4' energy: -98.721 flat angles C4'-P-C4' energy: -120.709 flat angles P-C4'-P energy: -63.777 tors. eta vs tors. theta energy: -128.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1562.249137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.249137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.249137 (E_RNA) where: Base-Base interactions energy: -1050.576 where: short stacking energy: -469.602 Base-Backbone interact. energy: -3.441 local terms energy: -508.232686 where: bonds (distance) C4'-P energy: -94.962 bonds (distance) P-C4' energy: -106.038 flat angles C4'-P-C4' energy: -102.437 flat angles P-C4'-P energy: -76.199 tors. eta vs tors. theta energy: -128.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1506.903513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.903513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.903513 (E_RNA) where: Base-Base interactions energy: -1015.649 where: short stacking energy: -428.058 Base-Backbone interact. energy: 1.276 local terms energy: -492.530647 where: bonds (distance) C4'-P energy: -101.426 bonds (distance) P-C4' energy: -101.240 flat angles C4'-P-C4' energy: -100.660 flat angles P-C4'-P energy: -77.457 tors. eta vs tors. theta energy: -111.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1434.258178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.258178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.258178 (E_RNA) where: Base-Base interactions energy: -962.797 where: short stacking energy: -427.766 Base-Backbone interact. energy: -0.116 local terms energy: -471.345459 where: bonds (distance) C4'-P energy: -89.221 bonds (distance) P-C4' energy: -96.676 flat angles C4'-P-C4' energy: -116.048 flat angles P-C4'-P energy: -62.291 tors. eta vs tors. theta energy: -107.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1283.465751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.465751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.465751 (E_RNA) where: Base-Base interactions energy: -854.166 where: short stacking energy: -378.217 Base-Backbone interact. energy: -2.931 local terms energy: -426.368114 where: bonds (distance) C4'-P energy: -85.555 bonds (distance) P-C4' energy: -93.327 flat angles C4'-P-C4' energy: -87.685 flat angles P-C4'-P energy: -58.667 tors. eta vs tors. theta energy: -101.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1067.763771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.763771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.763771 (E_RNA) where: Base-Base interactions energy: -711.911 where: short stacking energy: -316.354 Base-Backbone interact. energy: -0.828 local terms energy: -355.024662 where: bonds (distance) C4'-P energy: -64.492 bonds (distance) P-C4' energy: -81.757 flat angles C4'-P-C4' energy: -90.573 flat angles P-C4'-P energy: -55.296 tors. eta vs tors. theta energy: -62.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -709.776790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.776790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.776790 (E_RNA) where: Base-Base interactions energy: -404.853 where: short stacking energy: -217.249 Base-Backbone interact. energy: -2.547 local terms energy: -302.377022 where: bonds (distance) C4'-P energy: -85.246 bonds (distance) P-C4' energy: -81.323 flat angles C4'-P-C4' energy: -63.140 flat angles P-C4'-P energy: -53.946 tors. eta vs tors. theta energy: -18.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1901.467867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.467867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.467867 (E_RNA) where: Base-Base interactions energy: -1318.479 where: short stacking energy: -536.886 Base-Backbone interact. energy: -4.106 local terms energy: -578.882528 where: bonds (distance) C4'-P energy: -110.153 bonds (distance) P-C4' energy: -103.678 flat angles C4'-P-C4' energy: -124.284 flat angles P-C4'-P energy: -82.894 tors. eta vs tors. theta energy: -157.874 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: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1812.415200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.415200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.415200 (E_RNA) where: Base-Base interactions energy: -1254.438 where: short stacking energy: -509.711 Base-Backbone interact. energy: -2.556 local terms energy: -555.421356 where: bonds (distance) C4'-P energy: -91.543 bonds (distance) P-C4' energy: -109.343 flat angles C4'-P-C4' energy: -119.692 flat angles P-C4'-P energy: -84.126 tors. eta vs tors. theta energy: -150.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1760.508848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.508848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.508848 (E_RNA) where: Base-Base interactions energy: -1210.659 where: short stacking energy: -490.770 Base-Backbone interact. energy: 0.021 local terms energy: -549.870807 where: bonds (distance) C4'-P energy: -107.472 bonds (distance) P-C4' energy: -92.045 flat angles C4'-P-C4' energy: -127.582 flat angles P-C4'-P energy: -72.603 tors. eta vs tors. theta energy: -150.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1680.235271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.235271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.235271 (E_RNA) where: Base-Base interactions energy: -1150.423 where: short stacking energy: -497.360 Base-Backbone interact. energy: 0.628 local terms energy: -530.441004 where: bonds (distance) C4'-P energy: -105.018 bonds (distance) P-C4' energy: -97.645 flat angles C4'-P-C4' energy: -111.116 flat angles P-C4'-P energy: -75.884 tors. eta vs tors. theta energy: -140.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1539.612566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.612566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.612566 (E_RNA) where: Base-Base interactions energy: -1031.152 where: short stacking energy: -448.838 Base-Backbone interact. energy: -1.647 local terms energy: -506.813707 where: bonds (distance) C4'-P energy: -105.130 bonds (distance) P-C4' energy: -96.742 flat angles C4'-P-C4' energy: -112.326 flat angles P-C4'-P energy: -67.258 tors. eta vs tors. theta energy: -125.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1510.635419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.635419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.635419 (E_RNA) where: Base-Base interactions energy: -1024.182 where: short stacking energy: -439.067 Base-Backbone interact. energy: -5.063 local terms energy: -481.391076 where: bonds (distance) C4'-P energy: -92.607 bonds (distance) P-C4' energy: -100.888 flat angles C4'-P-C4' energy: -92.625 flat angles P-C4'-P energy: -72.313 tors. eta vs tors. theta energy: -122.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1413.753138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.753138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.753138 (E_RNA) where: Base-Base interactions energy: -978.569 where: short stacking energy: -401.178 Base-Backbone interact. energy: 0.639 local terms energy: -435.823488 where: bonds (distance) C4'-P energy: -87.210 bonds (distance) P-C4' energy: -83.006 flat angles C4'-P-C4' energy: -86.729 flat angles P-C4'-P energy: -64.358 tors. eta vs tors. theta energy: -114.521 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: 10 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1192.972749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.972749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.972749 (E_RNA) where: Base-Base interactions energy: -784.899 where: short stacking energy: -325.642 Base-Backbone interact. energy: -1.590 local terms energy: -406.483375 where: bonds (distance) C4'-P energy: -96.002 bonds (distance) P-C4' energy: -88.683 flat angles C4'-P-C4' energy: -93.970 flat angles P-C4'-P energy: -52.476 tors. eta vs tors. theta energy: -75.353 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: 39 Temperature: 1.300000 Total energy: -1118.445394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.445394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.445394 (E_RNA) where: Base-Base interactions energy: -716.613 where: short stacking energy: -301.883 Base-Backbone interact. energy: 7.930 local terms energy: -409.762800 where: bonds (distance) C4'-P energy: -89.786 bonds (distance) P-C4' energy: -97.474 flat angles C4'-P-C4' energy: -94.144 flat angles P-C4'-P energy: -74.233 tors. eta vs tors. theta energy: -54.126 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: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -702.275141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.275141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.275141 (E_RNA) where: Base-Base interactions energy: -372.617 where: short stacking energy: -181.024 Base-Backbone interact. energy: -1.327 local terms energy: -328.331283 where: bonds (distance) C4'-P energy: -90.285 bonds (distance) P-C4' energy: -97.444 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -55.232 tors. eta vs tors. theta energy: -10.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1909.056537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.056537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.056537 (E_RNA) where: Base-Base interactions energy: -1319.148 where: short stacking energy: -539.638 Base-Backbone interact. energy: -3.540 local terms energy: -586.369188 where: bonds (distance) C4'-P energy: -106.627 bonds (distance) P-C4' energy: -118.404 flat angles C4'-P-C4' energy: -118.291 flat angles P-C4'-P energy: -76.575 tors. eta vs tors. theta energy: -166.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1822.356211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.356211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.356211 (E_RNA) where: Base-Base interactions energy: -1263.724 where: short stacking energy: -531.614 Base-Backbone interact. energy: -1.846 local terms energy: -556.786306 where: bonds (distance) C4'-P energy: -107.514 bonds (distance) P-C4' energy: -105.027 flat angles C4'-P-C4' energy: -118.496 flat angles P-C4'-P energy: -71.879 tors. eta vs tors. theta energy: -153.869 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: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1756.455106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.455106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.455106 (E_RNA) where: Base-Base interactions energy: -1209.219 where: short stacking energy: -494.985 Base-Backbone interact. energy: -4.224 local terms energy: -543.012126 where: bonds (distance) C4'-P energy: -100.736 bonds (distance) P-C4' energy: -97.539 flat angles C4'-P-C4' energy: -113.494 flat angles P-C4'-P energy: -78.453 tors. eta vs tors. theta energy: -152.791 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: 40 Temperature: 1.050000 Total energy: -1638.508309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.508309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.508309 (E_RNA) where: Base-Base interactions energy: -1104.199 where: short stacking energy: -463.729 Base-Backbone interact. energy: -4.209 local terms energy: -530.100113 where: bonds (distance) C4'-P energy: -104.127 bonds (distance) P-C4' energy: -99.215 flat angles C4'-P-C4' energy: -122.326 flat angles P-C4'-P energy: -70.840 tors. eta vs tors. theta energy: -133.592 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: 40 Temperature: 1.100000 Total energy: -1563.172007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.172007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.172007 (E_RNA) where: Base-Base interactions energy: -1072.322 where: short stacking energy: -441.565 Base-Backbone interact. energy: -0.441 local terms energy: -490.409112 where: bonds (distance) C4'-P energy: -98.368 bonds (distance) P-C4' energy: -92.224 flat angles C4'-P-C4' energy: -103.330 flat angles P-C4'-P energy: -71.127 tors. eta vs tors. theta energy: -125.360 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: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1467.764520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.764520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.764520 (E_RNA) where: Base-Base interactions energy: -1001.893 where: short stacking energy: -428.351 Base-Backbone interact. energy: -1.191 local terms energy: -464.681035 where: bonds (distance) C4'-P energy: -84.253 bonds (distance) P-C4' energy: -88.528 flat angles C4'-P-C4' energy: -105.303 flat angles P-C4'-P energy: -72.678 tors. eta vs tors. theta energy: -113.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1416.575609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.575609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.575609 (E_RNA) where: Base-Base interactions energy: -967.145 where: short stacking energy: -402.824 Base-Backbone interact. energy: 0.500 local terms energy: -449.930827 where: bonds (distance) C4'-P energy: -90.418 bonds (distance) P-C4' energy: -104.265 flat angles C4'-P-C4' energy: -90.503 flat angles P-C4'-P energy: -66.522 tors. eta vs tors. theta energy: -98.223 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: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1273.163120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.163120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.163120 (E_RNA) where: Base-Base interactions energy: -851.073 where: short stacking energy: -357.865 Base-Backbone interact. energy: 0.931 local terms energy: -423.020795 where: bonds (distance) C4'-P energy: -97.495 bonds (distance) P-C4' energy: -80.872 flat angles C4'-P-C4' energy: -88.582 flat angles P-C4'-P energy: -69.004 tors. eta vs tors. theta energy: -87.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1103.338003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.338003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.338003 (E_RNA) where: Base-Base interactions energy: -691.775 where: short stacking energy: -308.652 Base-Backbone interact. energy: -1.037 local terms energy: -410.525430 where: bonds (distance) C4'-P energy: -79.767 bonds (distance) P-C4' energy: -95.745 flat angles C4'-P-C4' energy: -111.457 flat angles P-C4'-P energy: -59.541 tors. eta vs tors. theta energy: -64.016 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: 10, replica: 8 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -686.607859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.607859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.607859 (E_RNA) where: Base-Base interactions energy: -356.393 where: short stacking energy: -202.755 Base-Backbone interact. energy: 2.136 local terms energy: -332.350376 where: bonds (distance) C4'-P energy: -79.512 bonds (distance) P-C4' energy: -84.583 flat angles C4'-P-C4' energy: -97.468 flat angles P-C4'-P energy: -47.672 tors. eta vs tors. theta energy: -23.114 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: 1 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1876.223025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.223025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.223025 (E_RNA) where: Base-Base interactions energy: -1293.409 where: short stacking energy: -521.339 Base-Backbone interact. energy: -2.572 local terms energy: -580.241651 where: bonds (distance) C4'-P energy: -112.519 bonds (distance) P-C4' energy: -108.736 flat angles C4'-P-C4' energy: -125.436 flat angles P-C4'-P energy: -78.631 tors. eta vs tors. theta energy: -154.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1830.198737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.198737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.198737 (E_RNA) where: Base-Base interactions energy: -1250.362 where: short stacking energy: -547.838 Base-Backbone interact. energy: -3.471 local terms energy: -576.364847 where: bonds (distance) C4'-P energy: -108.445 bonds (distance) P-C4' energy: -98.574 flat angles C4'-P-C4' energy: -131.310 flat angles P-C4'-P energy: -85.021 tors. eta vs tors. theta energy: -153.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1755.543170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.543170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.543170 (E_RNA) where: Base-Base interactions energy: -1215.569 where: short stacking energy: -498.804 Base-Backbone interact. energy: 0.062 local terms energy: -540.036125 where: bonds (distance) C4'-P energy: -97.307 bonds (distance) P-C4' energy: -116.791 flat angles C4'-P-C4' energy: -122.809 flat angles P-C4'-P energy: -61.757 tors. eta vs tors. theta energy: -141.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1576.507778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.507778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.507778 (E_RNA) where: Base-Base interactions energy: -1052.580 where: short stacking energy: -448.645 Base-Backbone interact. energy: -1.331 local terms energy: -522.597172 where: bonds (distance) C4'-P energy: -92.833 bonds (distance) P-C4' energy: -110.810 flat angles C4'-P-C4' energy: -114.925 flat angles P-C4'-P energy: -81.385 tors. eta vs tors. theta energy: -122.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1570.439898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.439898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.439898 (E_RNA) where: Base-Base interactions energy: -1078.903 where: short stacking energy: -437.910 Base-Backbone interact. energy: -2.868 local terms energy: -488.668739 where: bonds (distance) C4'-P energy: -100.716 bonds (distance) P-C4' energy: -88.505 flat angles C4'-P-C4' energy: -106.232 flat angles P-C4'-P energy: -61.893 tors. eta vs tors. theta energy: -131.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1466.879386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.879386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.879386 (E_RNA) where: Base-Base interactions energy: -996.857 where: short stacking energy: -411.089 Base-Backbone interact. energy: 2.490 local terms energy: -472.512169 where: bonds (distance) C4'-P energy: -98.649 bonds (distance) P-C4' energy: -95.121 flat angles C4'-P-C4' energy: -100.730 flat angles P-C4'-P energy: -78.116 tors. eta vs tors. theta energy: -99.896 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: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1453.456437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.456437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.456437 (E_RNA) where: Base-Base interactions energy: -976.305 where: short stacking energy: -415.530 Base-Backbone interact. energy: -2.443 local terms energy: -474.709090 where: bonds (distance) C4'-P energy: -94.399 bonds (distance) P-C4' energy: -106.377 flat angles C4'-P-C4' energy: -102.433 flat angles P-C4'-P energy: -54.917 tors. eta vs tors. theta energy: -116.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1239.383155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.383155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.383155 (E_RNA) where: Base-Base interactions energy: -817.264 where: short stacking energy: -345.841 Base-Backbone interact. energy: -0.315 local terms energy: -421.803929 where: bonds (distance) C4'-P energy: -81.285 bonds (distance) P-C4' energy: -86.357 flat angles C4'-P-C4' energy: -103.948 flat angles P-C4'-P energy: -72.566 tors. eta vs tors. theta energy: -77.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1111.470335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.470335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.470335 (E_RNA) where: Base-Base interactions energy: -767.760 where: short stacking energy: -306.396 Base-Backbone interact. energy: -0.643 local terms energy: -343.067005 where: bonds (distance) C4'-P energy: -90.632 bonds (distance) P-C4' energy: -73.070 flat angles C4'-P-C4' energy: -69.717 flat angles P-C4'-P energy: -58.821 tors. eta vs tors. theta energy: -50.827 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: 10, replica: 8 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -691.638268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.638268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.638268 (E_RNA) where: Base-Base interactions energy: -369.077 where: short stacking energy: -190.798 Base-Backbone interact. energy: 0.686 local terms energy: -323.247043 where: bonds (distance) C4'-P energy: -77.312 bonds (distance) P-C4' energy: -95.778 flat angles C4'-P-C4' energy: -86.400 flat angles P-C4'-P energy: -41.976 tors. eta vs tors. theta energy: -21.780 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: 1 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1855.279539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.279539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.279539 (E_RNA) where: Base-Base interactions energy: -1285.070 where: short stacking energy: -545.873 Base-Backbone interact. energy: -3.808 local terms energy: -566.400723 where: bonds (distance) C4'-P energy: -109.987 bonds (distance) P-C4' energy: -115.262 flat angles C4'-P-C4' energy: -115.708 flat angles P-C4'-P energy: -68.179 tors. eta vs tors. theta energy: -157.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1830.636012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.636012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.636012 (E_RNA) where: Base-Base interactions energy: -1280.154 where: short stacking energy: -529.424 Base-Backbone interact. energy: -4.076 local terms energy: -546.406120 where: bonds (distance) C4'-P energy: -95.789 bonds (distance) P-C4' energy: -96.462 flat angles C4'-P-C4' energy: -123.895 flat angles P-C4'-P energy: -76.642 tors. eta vs tors. theta energy: -153.618 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: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1717.911028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.911028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.911028 (E_RNA) where: Base-Base interactions energy: -1181.440 where: short stacking energy: -494.827 Base-Backbone interact. energy: -2.537 local terms energy: -533.934183 where: bonds (distance) C4'-P energy: -100.566 bonds (distance) P-C4' energy: -99.261 flat angles C4'-P-C4' energy: -121.864 flat angles P-C4'-P energy: -80.142 tors. eta vs tors. theta energy: -132.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1572.649606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.649606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.649606 (E_RNA) where: Base-Base interactions energy: -1076.374 where: short stacking energy: -440.533 Base-Backbone interact. energy: -0.921 local terms energy: -495.354106 where: bonds (distance) C4'-P energy: -95.277 bonds (distance) P-C4' energy: -98.012 flat angles C4'-P-C4' energy: -109.774 flat angles P-C4'-P energy: -74.266 tors. eta vs tors. theta energy: -118.024 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: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1574.213491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.213491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.213491 (E_RNA) where: Base-Base interactions energy: -1094.863 where: short stacking energy: -455.177 Base-Backbone interact. energy: 0.109 local terms energy: -479.459546 where: bonds (distance) C4'-P energy: -92.427 bonds (distance) P-C4' energy: -89.690 flat angles C4'-P-C4' energy: -116.002 flat angles P-C4'-P energy: -63.889 tors. eta vs tors. theta energy: -117.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1484.313923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.313923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.313923 (E_RNA) where: Base-Base interactions energy: -999.205 where: short stacking energy: -428.814 Base-Backbone interact. energy: -2.355 local terms energy: -482.753647 where: bonds (distance) C4'-P energy: -96.604 bonds (distance) P-C4' energy: -101.100 flat angles C4'-P-C4' energy: -94.944 flat angles P-C4'-P energy: -74.446 tors. eta vs tors. theta energy: -115.661 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: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1380.583375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.583375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.583375 (E_RNA) where: Base-Base interactions energy: -935.110 where: short stacking energy: -413.604 Base-Backbone interact. energy: -1.334 local terms energy: -444.139277 where: bonds (distance) C4'-P energy: -95.075 bonds (distance) P-C4' energy: -92.976 flat angles C4'-P-C4' energy: -85.028 flat angles P-C4'-P energy: -64.680 tors. eta vs tors. theta energy: -106.381 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: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1241.324542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.324542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.324542 (E_RNA) where: Base-Base interactions energy: -811.530 where: short stacking energy: -343.087 Base-Backbone interact. energy: -3.055 local terms energy: -426.740327 where: bonds (distance) C4'-P energy: -90.195 bonds (distance) P-C4' energy: -93.935 flat angles C4'-P-C4' energy: -96.842 flat angles P-C4'-P energy: -57.970 tors. eta vs tors. theta energy: -87.798 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: 42 Temperature: 1.300000 Total energy: -1049.694290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.694290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.694290 (E_RNA) where: Base-Base interactions energy: -682.508 where: short stacking energy: -295.505 Base-Backbone interact. energy: 0.118 local terms energy: -367.304446 where: bonds (distance) C4'-P energy: -82.481 bonds (distance) P-C4' energy: -85.450 flat angles C4'-P-C4' energy: -100.902 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: -53.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -710.168565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.168565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.168565 (E_RNA) where: Base-Base interactions energy: -391.090 where: short stacking energy: -187.543 Base-Backbone interact. energy: -1.721 local terms energy: -317.357468 where: bonds (distance) C4'-P energy: -92.399 bonds (distance) P-C4' energy: -102.371 flat angles C4'-P-C4' energy: -75.294 flat angles P-C4'-P energy: -37.366 tors. eta vs tors. theta energy: -9.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1895.673279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.673279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.673279 (E_RNA) where: Base-Base interactions energy: -1302.602 where: short stacking energy: -561.137 Base-Backbone interact. energy: -4.357 local terms energy: -588.713786 where: bonds (distance) C4'-P energy: -115.859 bonds (distance) P-C4' energy: -108.606 flat angles C4'-P-C4' energy: -123.654 flat angles P-C4'-P energy: -77.802 tors. eta vs tors. theta energy: -162.792 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: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1822.697761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.697761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.697761 (E_RNA) where: Base-Base interactions energy: -1253.337 where: short stacking energy: -515.570 Base-Backbone interact. energy: -3.401 local terms energy: -565.959461 where: bonds (distance) C4'-P energy: -98.109 bonds (distance) P-C4' energy: -112.843 flat angles C4'-P-C4' energy: -120.075 flat angles P-C4'-P energy: -77.971 tors. eta vs tors. theta energy: -156.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1714.065668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.065668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.065668 (E_RNA) where: Base-Base interactions energy: -1178.191 where: short stacking energy: -467.443 Base-Backbone interact. energy: -1.497 local terms energy: -534.377069 where: bonds (distance) C4'-P energy: -111.187 bonds (distance) P-C4' energy: -102.729 flat angles C4'-P-C4' energy: -126.142 flat angles P-C4'-P energy: -70.061 tors. eta vs tors. theta energy: -124.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1604.829185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.829185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.829185 (E_RNA) where: Base-Base interactions energy: -1059.482 where: short stacking energy: -458.157 Base-Backbone interact. energy: -2.830 local terms energy: -542.517733 where: bonds (distance) C4'-P energy: -112.524 bonds (distance) P-C4' energy: -101.854 flat angles C4'-P-C4' energy: -114.438 flat angles P-C4'-P energy: -88.019 tors. eta vs tors. theta energy: -125.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1531.839479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.839479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.839479 (E_RNA) where: Base-Base interactions energy: -1019.961 where: short stacking energy: -429.470 Base-Backbone interact. energy: -1.432 local terms energy: -510.446281 where: bonds (distance) C4'-P energy: -107.492 bonds (distance) P-C4' energy: -95.566 flat angles C4'-P-C4' energy: -121.630 flat angles P-C4'-P energy: -76.031 tors. eta vs tors. theta energy: -109.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1467.263356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.263356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.263356 (E_RNA) where: Base-Base interactions energy: -1028.884 where: short stacking energy: -434.088 Base-Backbone interact. energy: -3.126 local terms energy: -435.253225 where: bonds (distance) C4'-P energy: -63.321 bonds (distance) P-C4' energy: -98.779 flat angles C4'-P-C4' energy: -118.833 flat angles P-C4'-P energy: -60.819 tors. eta vs tors. theta energy: -93.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1390.865183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.865183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.865183 (E_RNA) where: Base-Base interactions energy: -958.347 where: short stacking energy: -413.504 Base-Backbone interact. energy: 2.368 local terms energy: -434.886026 where: bonds (distance) C4'-P energy: -85.510 bonds (distance) P-C4' energy: -90.659 flat angles C4'-P-C4' energy: -92.884 flat angles P-C4'-P energy: -60.159 tors. eta vs tors. theta energy: -105.674 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: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1228.830526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.830526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.830526 (E_RNA) where: Base-Base interactions energy: -822.678 where: short stacking energy: -340.432 Base-Backbone interact. energy: -0.206 local terms energy: -405.945816 where: bonds (distance) C4'-P energy: -81.727 bonds (distance) P-C4' energy: -83.468 flat angles C4'-P-C4' energy: -120.712 flat angles P-C4'-P energy: -40.665 tors. eta vs tors. theta energy: -79.374 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: 9 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1044.944752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.944752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.944752 (E_RNA) where: Base-Base interactions energy: -683.825 where: short stacking energy: -300.894 Base-Backbone interact. energy: 2.634 local terms energy: -363.753583 where: bonds (distance) C4'-P energy: -77.468 bonds (distance) P-C4' energy: -76.787 flat angles C4'-P-C4' energy: -98.372 flat angles P-C4'-P energy: -46.118 tors. eta vs tors. theta energy: -65.009 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: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -747.935233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.935233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.935233 (E_RNA) where: Base-Base interactions energy: -417.173 where: short stacking energy: -222.938 Base-Backbone interact. energy: 2.537 local terms energy: -333.299391 where: bonds (distance) C4'-P energy: -106.836 bonds (distance) P-C4' energy: -96.155 flat angles C4'-P-C4' energy: -76.838 flat angles P-C4'-P energy: -39.941 tors. eta vs tors. theta energy: -13.528 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: 1, replica: 1 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1884.655772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.655772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.655772 (E_RNA) where: Base-Base interactions energy: -1292.822 where: short stacking energy: -547.787 Base-Backbone interact. energy: -2.999 local terms energy: -588.835617 where: bonds (distance) C4'-P energy: -100.935 bonds (distance) P-C4' energy: -113.632 flat angles C4'-P-C4' energy: -133.693 flat angles P-C4'-P energy: -81.719 tors. eta vs tors. theta energy: -158.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1803.460641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.460641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.460641 (E_RNA) where: Base-Base interactions energy: -1264.402 where: short stacking energy: -525.237 Base-Backbone interact. energy: -4.063 local terms energy: -534.996188 where: bonds (distance) C4'-P energy: -109.600 bonds (distance) P-C4' energy: -96.674 flat angles C4'-P-C4' energy: -112.434 flat angles P-C4'-P energy: -76.846 tors. eta vs tors. theta energy: -139.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1758.384414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.384414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.384414 (E_RNA) where: Base-Base interactions energy: -1216.620 where: short stacking energy: -494.619 Base-Backbone interact. energy: 1.025 local terms energy: -542.789507 where: bonds (distance) C4'-P energy: -106.148 bonds (distance) P-C4' energy: -110.679 flat angles C4'-P-C4' energy: -119.125 flat angles P-C4'-P energy: -66.185 tors. eta vs tors. theta energy: -140.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1590.222374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.222374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.222374 (E_RNA) where: Base-Base interactions energy: -1081.227 where: short stacking energy: -463.536 Base-Backbone interact. energy: -3.979 local terms energy: -505.016952 where: bonds (distance) C4'-P energy: -102.734 bonds (distance) P-C4' energy: -85.684 flat angles C4'-P-C4' energy: -116.879 flat angles P-C4'-P energy: -72.752 tors. eta vs tors. theta energy: -126.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1463.394748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.394748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.394748 (E_RNA) where: Base-Base interactions energy: -976.799 where: short stacking energy: -423.487 Base-Backbone interact. energy: 4.539 local terms energy: -491.135164 where: bonds (distance) C4'-P energy: -95.418 bonds (distance) P-C4' energy: -99.982 flat angles C4'-P-C4' energy: -112.655 flat angles P-C4'-P energy: -66.681 tors. eta vs tors. theta energy: -116.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1479.365163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.365163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.365163 (E_RNA) where: Base-Base interactions energy: -1007.788 where: short stacking energy: -437.299 Base-Backbone interact. energy: 0.562 local terms energy: -472.139711 where: bonds (distance) C4'-P energy: -82.831 bonds (distance) P-C4' energy: -107.534 flat angles C4'-P-C4' energy: -107.875 flat angles P-C4'-P energy: -72.375 tors. eta vs tors. theta energy: -101.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1352.783623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.783623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.783623 (E_RNA) where: Base-Base interactions energy: -894.279 where: short stacking energy: -370.369 Base-Backbone interact. energy: -0.083 local terms energy: -458.421074 where: bonds (distance) C4'-P energy: -104.017 bonds (distance) P-C4' energy: -88.685 flat angles C4'-P-C4' energy: -102.749 flat angles P-C4'-P energy: -66.314 tors. eta vs tors. theta energy: -96.655 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: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1267.320418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.320418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.320418 (E_RNA) where: Base-Base interactions energy: -827.938 where: short stacking energy: -354.653 Base-Backbone interact. energy: -0.099 local terms energy: -439.283384 where: bonds (distance) C4'-P energy: -99.566 bonds (distance) P-C4' energy: -88.022 flat angles C4'-P-C4' energy: -100.209 flat angles P-C4'-P energy: -61.402 tors. eta vs tors. theta energy: -90.083 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: 44 Temperature: 1.300000 Total energy: -1081.022337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.022337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.022337 (E_RNA) where: Base-Base interactions energy: -698.733 where: short stacking energy: -296.060 Base-Backbone interact. energy: 2.499 local terms energy: -384.788410 where: bonds (distance) C4'-P energy: -77.727 bonds (distance) P-C4' energy: -85.504 flat angles C4'-P-C4' energy: -98.318 flat angles P-C4'-P energy: -62.941 tors. eta vs tors. theta energy: -60.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -757.927454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.927454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.927454 (E_RNA) where: Base-Base interactions energy: -426.021 where: short stacking energy: -212.360 Base-Backbone interact. energy: -0.292 local terms energy: -331.615063 where: bonds (distance) C4'-P energy: -87.767 bonds (distance) P-C4' energy: -89.211 flat angles C4'-P-C4' energy: -77.587 flat angles P-C4'-P energy: -49.113 tors. eta vs tors. theta energy: -27.938 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: 1 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1910.135483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.135483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.135483 (E_RNA) where: Base-Base interactions energy: -1332.924 where: short stacking energy: -547.318 Base-Backbone interact. energy: -0.917 local terms energy: -576.294995 where: bonds (distance) C4'-P energy: -107.301 bonds (distance) P-C4' energy: -117.864 flat angles C4'-P-C4' energy: -120.065 flat angles P-C4'-P energy: -79.056 tors. eta vs tors. theta energy: -152.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1827.721525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.721525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.721525 (E_RNA) where: Base-Base interactions energy: -1250.468 where: short stacking energy: -504.759 Base-Backbone interact. energy: 0.249 local terms energy: -577.502467 where: bonds (distance) C4'-P energy: -115.467 bonds (distance) P-C4' energy: -109.215 flat angles C4'-P-C4' energy: -123.549 flat angles P-C4'-P energy: -73.529 tors. eta vs tors. theta energy: -155.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1798.993416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.993416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.993416 (E_RNA) where: Base-Base interactions energy: -1244.100 where: short stacking energy: -500.053 Base-Backbone interact. energy: -3.019 local terms energy: -551.875020 where: bonds (distance) C4'-P energy: -105.748 bonds (distance) P-C4' energy: -97.818 flat angles C4'-P-C4' energy: -123.327 flat angles P-C4'-P energy: -73.037 tors. eta vs tors. theta energy: -151.946 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: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1600.520569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.520569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.520569 (E_RNA) where: Base-Base interactions energy: -1097.678 where: short stacking energy: -458.818 Base-Backbone interact. energy: 0.887 local terms energy: -503.729890 where: bonds (distance) C4'-P energy: -82.290 bonds (distance) P-C4' energy: -106.068 flat angles C4'-P-C4' energy: -118.275 flat angles P-C4'-P energy: -74.235 tors. eta vs tors. theta energy: -122.862 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: 5, replica: 2 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1519.480612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.480612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.480612 (E_RNA) where: Base-Base interactions energy: -1047.130 where: short stacking energy: -423.716 Base-Backbone interact. energy: -0.348 local terms energy: -472.002265 where: bonds (distance) C4'-P energy: -84.456 bonds (distance) P-C4' energy: -101.443 flat angles C4'-P-C4' energy: -100.229 flat angles P-C4'-P energy: -73.566 tors. eta vs tors. theta energy: -112.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1481.804507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.804507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.804507 (E_RNA) where: Base-Base interactions energy: -1007.289 where: short stacking energy: -427.403 Base-Backbone interact. energy: -0.460 local terms energy: -474.055031 where: bonds (distance) C4'-P energy: -92.795 bonds (distance) P-C4' energy: -93.471 flat angles C4'-P-C4' energy: -122.052 flat angles P-C4'-P energy: -57.229 tors. eta vs tors. theta energy: -108.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1366.273292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.273292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.273292 (E_RNA) where: Base-Base interactions energy: -918.129 where: short stacking energy: -390.010 Base-Backbone interact. energy: 0.717 local terms energy: -448.861125 where: bonds (distance) C4'-P energy: -91.633 bonds (distance) P-C4' energy: -102.753 flat angles C4'-P-C4' energy: -92.124 flat angles P-C4'-P energy: -65.668 tors. eta vs tors. theta energy: -96.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1269.569089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.569089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.569089 (E_RNA) where: Base-Base interactions energy: -837.253 where: short stacking energy: -371.471 Base-Backbone interact. energy: 0.480 local terms energy: -432.796111 where: bonds (distance) C4'-P energy: -104.226 bonds (distance) P-C4' energy: -98.929 flat angles C4'-P-C4' energy: -95.248 flat angles P-C4'-P energy: -52.937 tors. eta vs tors. theta energy: -81.456 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: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1135.110558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.110558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.110558 (E_RNA) where: Base-Base interactions energy: -741.172 where: short stacking energy: -307.180 Base-Backbone interact. energy: 5.810 local terms energy: -399.748591 where: bonds (distance) C4'-P energy: -86.536 bonds (distance) P-C4' energy: -101.708 flat angles C4'-P-C4' energy: -92.222 flat angles P-C4'-P energy: -58.252 tors. eta vs tors. theta energy: -61.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -716.306655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.306655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.306655 (E_RNA) where: Base-Base interactions energy: -383.219 where: short stacking energy: -191.436 Base-Backbone interact. energy: 0.045 local terms energy: -333.132045 where: bonds (distance) C4'-P energy: -88.257 bonds (distance) P-C4' energy: -91.520 flat angles C4'-P-C4' energy: -87.850 flat angles P-C4'-P energy: -50.257 tors. eta vs tors. theta energy: -15.248 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: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1876.595210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.595210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.595210 (E_RNA) where: Base-Base interactions energy: -1300.418 where: short stacking energy: -550.986 Base-Backbone interact. energy: -1.519 local terms energy: -574.657744 where: bonds (distance) C4'-P energy: -114.592 bonds (distance) P-C4' energy: -111.991 flat angles C4'-P-C4' energy: -111.448 flat angles P-C4'-P energy: -77.653 tors. eta vs tors. theta energy: -158.973 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: 2, replica: 3 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1830.557424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.557424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.557424 (E_RNA) where: Base-Base interactions energy: -1259.335 where: short stacking energy: -532.050 Base-Backbone interact. energy: -4.331 local terms energy: -566.890796 where: bonds (distance) C4'-P energy: -111.861 bonds (distance) P-C4' energy: -104.969 flat angles C4'-P-C4' energy: -119.233 flat angles P-C4'-P energy: -75.110 tors. eta vs tors. theta energy: -155.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1776.248691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.248691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.248691 (E_RNA) where: Base-Base interactions energy: -1224.687 where: short stacking energy: -485.785 Base-Backbone interact. energy: -1.632 local terms energy: -549.930066 where: bonds (distance) C4'-P energy: -112.351 bonds (distance) P-C4' energy: -106.946 flat angles C4'-P-C4' energy: -119.585 flat angles P-C4'-P energy: -69.581 tors. eta vs tors. theta energy: -141.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1579.696497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.696497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.696497 (E_RNA) where: Base-Base interactions energy: -1058.617 where: short stacking energy: -452.113 Base-Backbone interact. energy: -2.464 local terms energy: -518.615375 where: bonds (distance) C4'-P energy: -120.608 bonds (distance) P-C4' energy: -103.750 flat angles C4'-P-C4' energy: -107.553 flat angles P-C4'-P energy: -73.376 tors. eta vs tors. theta energy: -113.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1509.061125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.061125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.061125 (E_RNA) where: Base-Base interactions energy: -1026.854 where: short stacking energy: -424.397 Base-Backbone interact. energy: -1.601 local terms energy: -480.606259 where: bonds (distance) C4'-P energy: -89.141 bonds (distance) P-C4' energy: -99.807 flat angles C4'-P-C4' energy: -109.596 flat angles P-C4'-P energy: -65.702 tors. eta vs tors. theta energy: -116.361 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: 46 Temperature: 1.150000 Total energy: -1447.652414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.652414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.652414 (E_RNA) where: Base-Base interactions energy: -986.391 where: short stacking energy: -409.875 Base-Backbone interact. energy: 1.301 local terms energy: -462.562818 where: bonds (distance) C4'-P energy: -96.215 bonds (distance) P-C4' energy: -100.685 flat angles C4'-P-C4' energy: -88.113 flat angles P-C4'-P energy: -70.444 tors. eta vs tors. theta energy: -107.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1318.225367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.225367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.225367 (E_RNA) where: Base-Base interactions energy: -911.823 where: short stacking energy: -392.252 Base-Backbone interact. energy: 4.109 local terms energy: -410.511138 where: bonds (distance) C4'-P energy: -72.959 bonds (distance) P-C4' energy: -100.983 flat angles C4'-P-C4' energy: -89.535 flat angles P-C4'-P energy: -51.931 tors. eta vs tors. theta energy: -95.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1275.786264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.786264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.786264 (E_RNA) where: Base-Base interactions energy: -861.524 where: short stacking energy: -379.799 Base-Backbone interact. energy: -0.479 local terms energy: -413.783688 where: bonds (distance) C4'-P energy: -89.890 bonds (distance) P-C4' energy: -79.537 flat angles C4'-P-C4' energy: -96.814 flat angles P-C4'-P energy: -53.506 tors. eta vs tors. theta energy: -94.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1149.260557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.260557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.260557 (E_RNA) where: Base-Base interactions energy: -738.802 where: short stacking energy: -305.542 Base-Backbone interact. energy: -0.186 local terms energy: -410.272404 where: bonds (distance) C4'-P energy: -95.409 bonds (distance) P-C4' energy: -91.464 flat angles C4'-P-C4' energy: -87.297 flat angles P-C4'-P energy: -62.665 tors. eta vs tors. theta energy: -73.438 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: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -724.305878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.305878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.305878 (E_RNA) where: Base-Base interactions energy: -409.347 where: short stacking energy: -182.383 Base-Backbone interact. energy: -0.893 local terms energy: -314.065865 where: bonds (distance) C4'-P energy: -73.621 bonds (distance) P-C4' energy: -86.650 flat angles C4'-P-C4' energy: -85.662 flat angles P-C4'-P energy: -54.624 tors. eta vs tors. theta energy: -13.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1877.200618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.200618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.200618 (E_RNA) where: Base-Base interactions energy: -1284.917 where: short stacking energy: -534.349 Base-Backbone interact. energy: -1.519 local terms energy: -590.764644 where: bonds (distance) C4'-P energy: -115.599 bonds (distance) P-C4' energy: -110.109 flat angles C4'-P-C4' energy: -118.169 flat angles P-C4'-P energy: -84.774 tors. eta vs tors. theta energy: -162.113 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: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1842.238734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.238734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.238734 (E_RNA) where: Base-Base interactions energy: -1296.041 where: short stacking energy: -552.409 Base-Backbone interact. energy: -4.256 local terms energy: -541.941226 where: bonds (distance) C4'-P energy: -97.398 bonds (distance) P-C4' energy: -101.730 flat angles C4'-P-C4' energy: -116.924 flat angles P-C4'-P energy: -71.403 tors. eta vs tors. theta energy: -154.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1746.496546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.496546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.496546 (E_RNA) where: Base-Base interactions energy: -1209.816 where: short stacking energy: -497.812 Base-Backbone interact. energy: -4.485 local terms energy: -532.195778 where: bonds (distance) C4'-P energy: -101.046 bonds (distance) P-C4' energy: -90.946 flat angles C4'-P-C4' energy: -125.518 flat angles P-C4'-P energy: -83.064 tors. eta vs tors. theta energy: -131.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1550.065070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.065070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.065070 (E_RNA) where: Base-Base interactions energy: -1050.027 where: short stacking energy: -440.998 Base-Backbone interact. energy: -2.696 local terms energy: -497.342112 where: bonds (distance) C4'-P energy: -99.526 bonds (distance) P-C4' energy: -94.455 flat angles C4'-P-C4' energy: -113.697 flat angles P-C4'-P energy: -69.380 tors. eta vs tors. theta energy: -120.284 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: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1524.587454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.587454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.587454 (E_RNA) where: Base-Base interactions energy: -1047.728 where: short stacking energy: -434.324 Base-Backbone interact. energy: -1.714 local terms energy: -475.144622 where: bonds (distance) C4'-P energy: -86.165 bonds (distance) P-C4' energy: -88.126 flat angles C4'-P-C4' energy: -120.130 flat angles P-C4'-P energy: -68.250 tors. eta vs tors. theta energy: -112.474 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: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1474.159418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.159418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.159418 (E_RNA) where: Base-Base interactions energy: -983.015 where: short stacking energy: -424.266 Base-Backbone interact. energy: -2.155 local terms energy: -488.990215 where: bonds (distance) C4'-P energy: -91.689 bonds (distance) P-C4' energy: -108.717 flat angles C4'-P-C4' energy: -103.835 flat angles P-C4'-P energy: -76.539 tors. eta vs tors. theta energy: -108.211 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: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1329.815959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.815959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.815959 (E_RNA) where: Base-Base interactions energy: -918.307 where: short stacking energy: -389.431 Base-Backbone interact. energy: -2.013 local terms energy: -409.496051 where: bonds (distance) C4'-P energy: -74.888 bonds (distance) P-C4' energy: -103.759 flat angles C4'-P-C4' energy: -91.964 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -81.354 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: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1197.066949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.066949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.066949 (E_RNA) where: Base-Base interactions energy: -796.259 where: short stacking energy: -350.205 Base-Backbone interact. energy: 1.676 local terms energy: -402.483950 where: bonds (distance) C4'-P energy: -82.444 bonds (distance) P-C4' energy: -79.743 flat angles C4'-P-C4' energy: -94.762 flat angles P-C4'-P energy: -74.659 tors. eta vs tors. theta energy: -70.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1209.400800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.400800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.400800 (E_RNA) where: Base-Base interactions energy: -804.616 where: short stacking energy: -339.237 Base-Backbone interact. energy: -0.593 local terms energy: -404.191505 where: bonds (distance) C4'-P energy: -92.704 bonds (distance) P-C4' energy: -83.680 flat angles C4'-P-C4' energy: -87.265 flat angles P-C4'-P energy: -66.259 tors. eta vs tors. theta energy: -74.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -720.218006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.218006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.218006 (E_RNA) where: Base-Base interactions energy: -411.702 where: short stacking energy: -188.961 Base-Backbone interact. energy: 0.774 local terms energy: -309.289951 where: bonds (distance) C4'-P energy: -70.496 bonds (distance) P-C4' energy: -87.267 flat angles C4'-P-C4' energy: -77.946 flat angles P-C4'-P energy: -50.142 tors. eta vs tors. theta energy: -23.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1878.653176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.653176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.653176 (E_RNA) where: Base-Base interactions energy: -1316.975 where: short stacking energy: -554.645 Base-Backbone interact. energy: 1.515 local terms energy: -563.193003 where: bonds (distance) C4'-P energy: -96.057 bonds (distance) P-C4' energy: -105.778 flat angles C4'-P-C4' energy: -121.668 flat angles P-C4'-P energy: -81.133 tors. eta vs tors. theta energy: -158.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1766.404412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.404412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.404412 (E_RNA) where: Base-Base interactions energy: -1212.444 where: short stacking energy: -479.196 Base-Backbone interact. energy: -0.877 local terms energy: -553.083692 where: bonds (distance) C4'-P energy: -92.390 bonds (distance) P-C4' energy: -110.720 flat angles C4'-P-C4' energy: -122.484 flat angles P-C4'-P energy: -83.852 tors. eta vs tors. theta energy: -143.638 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: 4 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1733.875867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.875867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.875867 (E_RNA) where: Base-Base interactions energy: -1174.399 where: short stacking energy: -511.806 Base-Backbone interact. energy: -3.891 local terms energy: -555.585585 where: bonds (distance) C4'-P energy: -100.810 bonds (distance) P-C4' energy: -106.456 flat angles C4'-P-C4' energy: -113.604 flat angles P-C4'-P energy: -83.198 tors. eta vs tors. theta energy: -151.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1591.959573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.959573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.959573 (E_RNA) where: Base-Base interactions energy: -1094.791 where: short stacking energy: -478.708 Base-Backbone interact. energy: -1.283 local terms energy: -495.885079 where: bonds (distance) C4'-P energy: -94.689 bonds (distance) P-C4' energy: -109.829 flat angles C4'-P-C4' energy: -100.798 flat angles P-C4'-P energy: -72.502 tors. eta vs tors. theta energy: -118.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1534.823980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.823980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.823980 (E_RNA) where: Base-Base interactions energy: -1038.833 where: short stacking energy: -450.442 Base-Backbone interact. energy: 0.760 local terms energy: -496.750411 where: bonds (distance) C4'-P energy: -86.039 bonds (distance) P-C4' energy: -96.732 flat angles C4'-P-C4' energy: -105.629 flat angles P-C4'-P energy: -79.931 tors. eta vs tors. theta energy: -128.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1462.504642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.504642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.504642 (E_RNA) where: Base-Base interactions energy: -1002.409 where: short stacking energy: -432.716 Base-Backbone interact. energy: -2.499 local terms energy: -457.597050 where: bonds (distance) C4'-P energy: -94.976 bonds (distance) P-C4' energy: -100.144 flat angles C4'-P-C4' energy: -93.811 flat angles P-C4'-P energy: -59.209 tors. eta vs tors. theta energy: -109.457 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: 48 Temperature: 1.200000 Total energy: -1368.457531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.457531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.457531 (E_RNA) where: Base-Base interactions energy: -917.255 where: short stacking energy: -403.512 Base-Backbone interact. energy: -2.461 local terms energy: -448.740899 where: bonds (distance) C4'-P energy: -75.463 bonds (distance) P-C4' energy: -78.929 flat angles C4'-P-C4' energy: -112.811 flat angles P-C4'-P energy: -58.691 tors. eta vs tors. theta energy: -122.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1171.959079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.959079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.959079 (E_RNA) where: Base-Base interactions energy: -763.657 where: short stacking energy: -323.725 Base-Backbone interact. energy: -2.312 local terms energy: -405.989832 where: bonds (distance) C4'-P energy: -77.515 bonds (distance) P-C4' energy: -97.642 flat angles C4'-P-C4' energy: -95.333 flat angles P-C4'-P energy: -63.840 tors. eta vs tors. theta energy: -71.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1190.233554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.233554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.233554 (E_RNA) where: Base-Base interactions energy: -795.385 where: short stacking energy: -347.430 Base-Backbone interact. energy: 0.428 local terms energy: -395.275994 where: bonds (distance) C4'-P energy: -87.660 bonds (distance) P-C4' energy: -77.560 flat angles C4'-P-C4' energy: -93.387 flat angles P-C4'-P energy: -58.826 tors. eta vs tors. theta energy: -77.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -709.884786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.884786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.884786 (E_RNA) where: Base-Base interactions energy: -378.516 where: short stacking energy: -186.429 Base-Backbone interact. energy: 1.549 local terms energy: -332.918370 where: bonds (distance) C4'-P energy: -86.870 bonds (distance) P-C4' energy: -85.659 flat angles C4'-P-C4' energy: -86.598 flat angles P-C4'-P energy: -61.469 tors. eta vs tors. theta energy: -12.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1868.731079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.731079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.731079 (E_RNA) where: Base-Base interactions energy: -1287.768 where: short stacking energy: -536.506 Base-Backbone interact. energy: -4.856 local terms energy: -576.107238 where: bonds (distance) C4'-P energy: -107.685 bonds (distance) P-C4' energy: -108.617 flat angles C4'-P-C4' energy: -118.399 flat angles P-C4'-P energy: -90.633 tors. eta vs tors. theta energy: -150.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1834.556653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.556653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.556653 (E_RNA) where: Base-Base interactions energy: -1264.635 where: short stacking energy: -522.929 Base-Backbone interact. energy: -5.252 local terms energy: -564.670247 where: bonds (distance) C4'-P energy: -118.039 bonds (distance) P-C4' energy: -112.641 flat angles C4'-P-C4' energy: -121.133 flat angles P-C4'-P energy: -73.858 tors. eta vs tors. theta energy: -138.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1725.898727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.898727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.898727 (E_RNA) where: Base-Base interactions energy: -1197.051 where: short stacking energy: -484.961 Base-Backbone interact. energy: -3.449 local terms energy: -525.398715 where: bonds (distance) C4'-P energy: -82.763 bonds (distance) P-C4' energy: -97.371 flat angles C4'-P-C4' energy: -117.293 flat angles P-C4'-P energy: -81.692 tors. eta vs tors. theta energy: -146.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1557.843477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.843477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.843477 (E_RNA) where: Base-Base interactions energy: -1070.432 where: short stacking energy: -451.516 Base-Backbone interact. energy: 0.961 local terms energy: -488.372699 where: bonds (distance) C4'-P energy: -92.189 bonds (distance) P-C4' energy: -91.266 flat angles C4'-P-C4' energy: -119.258 flat angles P-C4'-P energy: -58.325 tors. eta vs tors. theta energy: -127.335 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: 49 Temperature: 1.100000 Total energy: -1547.690680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.690680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.690680 (E_RNA) where: Base-Base interactions energy: -1042.822 where: short stacking energy: -425.256 Base-Backbone interact. energy: -1.117 local terms energy: -503.751335 where: bonds (distance) C4'-P energy: -101.365 bonds (distance) P-C4' energy: -114.763 flat angles C4'-P-C4' energy: -107.461 flat angles P-C4'-P energy: -62.783 tors. eta vs tors. theta energy: -117.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1456.706846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.706846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.706846 (E_RNA) where: Base-Base interactions energy: -983.993 where: short stacking energy: -412.706 Base-Backbone interact. energy: -2.218 local terms energy: -470.495418 where: bonds (distance) C4'-P energy: -90.793 bonds (distance) P-C4' energy: -97.942 flat angles C4'-P-C4' energy: -96.643 flat angles P-C4'-P energy: -80.025 tors. eta vs tors. theta energy: -105.092 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: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1408.942484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.942484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.942484 (E_RNA) where: Base-Base interactions energy: -956.019 where: short stacking energy: -417.851 Base-Backbone interact. energy: -1.566 local terms energy: -451.357423 where: bonds (distance) C4'-P energy: -92.982 bonds (distance) P-C4' energy: -100.539 flat angles C4'-P-C4' energy: -96.583 flat angles P-C4'-P energy: -52.405 tors. eta vs tors. theta energy: -108.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1233.790814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.790814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.790814 (E_RNA) where: Base-Base interactions energy: -804.795 where: short stacking energy: -344.053 Base-Backbone interact. energy: 0.819 local terms energy: -429.815589 where: bonds (distance) C4'-P energy: -92.777 bonds (distance) P-C4' energy: -94.107 flat angles C4'-P-C4' energy: -96.593 flat angles P-C4'-P energy: -58.680 tors. eta vs tors. theta energy: -87.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1113.020387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.020387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.020387 (E_RNA) where: Base-Base interactions energy: -724.991 where: short stacking energy: -294.965 Base-Backbone interact. energy: 4.348 local terms energy: -392.377206 where: bonds (distance) C4'-P energy: -94.554 bonds (distance) P-C4' energy: -104.558 flat angles C4'-P-C4' energy: -79.167 flat angles P-C4'-P energy: -62.296 tors. eta vs tors. theta energy: -51.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -741.875809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.875809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.875809 (E_RNA) where: Base-Base interactions energy: -398.992 where: short stacking energy: -176.049 Base-Backbone interact. energy: 1.549 local terms energy: -344.432668 where: bonds (distance) C4'-P energy: -94.044 bonds (distance) P-C4' energy: -108.011 flat angles C4'-P-C4' energy: -84.269 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -8.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1893.135593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.135593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.135593 (E_RNA) where: Base-Base interactions energy: -1330.195 where: short stacking energy: -548.581 Base-Backbone interact. energy: -2.740 local terms energy: -560.200320 where: bonds (distance) C4'-P energy: -102.367 bonds (distance) P-C4' energy: -101.142 flat angles C4'-P-C4' energy: -120.817 flat angles P-C4'-P energy: -80.921 tors. eta vs tors. theta energy: -154.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1821.376209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.376209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.376209 (E_RNA) where: Base-Base interactions energy: -1252.300 where: short stacking energy: -530.632 Base-Backbone interact. energy: -0.160 local terms energy: -568.916458 where: bonds (distance) C4'-P energy: -115.937 bonds (distance) P-C4' energy: -110.127 flat angles C4'-P-C4' energy: -113.952 flat angles P-C4'-P energy: -72.194 tors. eta vs tors. theta energy: -156.706 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: 50 Temperature: 1.000000 Total energy: -1693.698996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.698996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.698996 (E_RNA) where: Base-Base interactions energy: -1175.976 where: short stacking energy: -512.075 Base-Backbone interact. energy: -1.497 local terms energy: -516.225572 where: bonds (distance) C4'-P energy: -90.587 bonds (distance) P-C4' energy: -103.151 flat angles C4'-P-C4' energy: -101.629 flat angles P-C4'-P energy: -80.141 tors. eta vs tors. theta energy: -140.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1600.187386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.187386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.187386 (E_RNA) where: Base-Base interactions energy: -1076.902 where: short stacking energy: -450.460 Base-Backbone interact. energy: 0.697 local terms energy: -523.982530 where: bonds (distance) C4'-P energy: -108.572 bonds (distance) P-C4' energy: -99.045 flat angles C4'-P-C4' energy: -127.270 flat angles P-C4'-P energy: -67.046 tors. eta vs tors. theta energy: -122.050 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: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1591.500442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.500442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.500442 (E_RNA) where: Base-Base interactions energy: -1081.837 where: short stacking energy: -471.523 Base-Backbone interact. energy: -1.734 local terms energy: -507.929667 where: bonds (distance) C4'-P energy: -92.715 bonds (distance) P-C4' energy: -89.260 flat angles C4'-P-C4' energy: -126.675 flat angles P-C4'-P energy: -59.469 tors. eta vs tors. theta energy: -139.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1456.359604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.359604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.359604 (E_RNA) where: Base-Base interactions energy: -1003.211 where: short stacking energy: -396.100 Base-Backbone interact. energy: 1.106 local terms energy: -454.254897 where: bonds (distance) C4'-P energy: -101.219 bonds (distance) P-C4' energy: -97.020 flat angles C4'-P-C4' energy: -98.959 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: -98.798 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: 50 Temperature: 1.200000 Total energy: -1377.556920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.556920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.556920 (E_RNA) where: Base-Base interactions energy: -929.671 where: short stacking energy: -402.256 Base-Backbone interact. energy: 1.869 local terms energy: -449.754709 where: bonds (distance) C4'-P energy: -80.049 bonds (distance) P-C4' energy: -97.726 flat angles C4'-P-C4' energy: -101.759 flat angles P-C4'-P energy: -59.140 tors. eta vs tors. theta energy: -111.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1184.130729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.130729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.130729 (E_RNA) where: Base-Base interactions energy: -787.457 where: short stacking energy: -349.372 Base-Backbone interact. energy: -2.715 local terms energy: -393.958947 where: bonds (distance) C4'-P energy: -54.489 bonds (distance) P-C4' energy: -105.813 flat angles C4'-P-C4' energy: -83.339 flat angles P-C4'-P energy: -59.951 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: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1139.059588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.059588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.059588 (E_RNA) where: Base-Base interactions energy: -742.407 where: short stacking energy: -322.411 Base-Backbone interact. energy: 2.169 local terms energy: -398.821499 where: bonds (distance) C4'-P energy: -88.588 bonds (distance) P-C4' energy: -96.689 flat angles C4'-P-C4' energy: -105.485 flat angles P-C4'-P energy: -36.455 tors. eta vs tors. theta energy: -71.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -753.262173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.262173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.262173 (E_RNA) where: Base-Base interactions energy: -432.870 where: short stacking energy: -198.367 Base-Backbone interact. energy: 1.704 local terms energy: -322.096411 where: bonds (distance) C4'-P energy: -81.821 bonds (distance) P-C4' energy: -92.061 flat angles C4'-P-C4' energy: -90.966 flat angles P-C4'-P energy: -44.193 tors. eta vs tors. theta energy: -13.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1847.864394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.864394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.864394 (E_RNA) where: Base-Base interactions energy: -1278.072 where: short stacking energy: -543.851 Base-Backbone interact. energy: -4.102 local terms energy: -565.690657 where: bonds (distance) C4'-P energy: -110.935 bonds (distance) P-C4' energy: -105.553 flat angles C4'-P-C4' energy: -123.014 flat angles P-C4'-P energy: -75.875 tors. eta vs tors. theta energy: -150.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1768.759156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.759156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.759156 (E_RNA) where: Base-Base interactions energy: -1221.502 where: short stacking energy: -502.166 Base-Backbone interact. energy: -3.620 local terms energy: -543.637322 where: bonds (distance) C4'-P energy: -106.940 bonds (distance) P-C4' energy: -100.445 flat angles C4'-P-C4' energy: -114.207 flat angles P-C4'-P energy: -77.657 tors. eta vs tors. theta energy: -144.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1737.936285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.936285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.936285 (E_RNA) where: Base-Base interactions energy: -1214.110 where: short stacking energy: -493.191 Base-Backbone interact. energy: -3.122 local terms energy: -520.704078 where: bonds (distance) C4'-P energy: -107.245 bonds (distance) P-C4' energy: -98.035 flat angles C4'-P-C4' energy: -106.210 flat angles P-C4'-P energy: -68.733 tors. eta vs tors. theta energy: -140.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1626.500262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.500262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.500262 (E_RNA) where: Base-Base interactions energy: -1133.718 where: short stacking energy: -492.681 Base-Backbone interact. energy: -2.210 local terms energy: -490.572462 where: bonds (distance) C4'-P energy: -72.808 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -117.829 flat angles P-C4'-P energy: -85.992 tors. eta vs tors. theta energy: -119.363 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: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1589.769980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.769980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.769980 (E_RNA) where: Base-Base interactions energy: -1083.793 where: short stacking energy: -457.028 Base-Backbone interact. energy: -1.580 local terms energy: -504.397223 where: bonds (distance) C4'-P energy: -96.865 bonds (distance) P-C4' energy: -98.779 flat angles C4'-P-C4' energy: -111.501 flat angles P-C4'-P energy: -58.259 tors. eta vs tors. theta energy: -138.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1452.736559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.736559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.736559 (E_RNA) where: Base-Base interactions energy: -973.798 where: short stacking energy: -407.184 Base-Backbone interact. energy: 2.661 local terms energy: -481.599679 where: bonds (distance) C4'-P energy: -95.070 bonds (distance) P-C4' energy: -108.858 flat angles C4'-P-C4' energy: -95.854 flat angles P-C4'-P energy: -79.242 tors. eta vs tors. theta energy: -102.576 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: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1403.614924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.614924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.614924 (E_RNA) where: Base-Base interactions energy: -939.933 where: short stacking energy: -391.968 Base-Backbone interact. energy: -0.200 local terms energy: -463.481838 where: bonds (distance) C4'-P energy: -77.095 bonds (distance) P-C4' energy: -108.976 flat angles C4'-P-C4' energy: -109.899 flat angles P-C4'-P energy: -72.742 tors. eta vs tors. theta energy: -94.770 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: 10 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1222.422624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.422624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.422624 (E_RNA) where: Base-Base interactions energy: -791.216 where: short stacking energy: -349.926 Base-Backbone interact. energy: 0.049 local terms energy: -431.255904 where: bonds (distance) C4'-P energy: -103.125 bonds (distance) P-C4' energy: -87.107 flat angles C4'-P-C4' energy: -102.260 flat angles P-C4'-P energy: -55.703 tors. eta vs tors. theta energy: -83.061 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: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1129.164504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.164504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.164504 (E_RNA) where: Base-Base interactions energy: -746.844 where: short stacking energy: -320.817 Base-Backbone interact. energy: 6.158 local terms energy: -388.478352 where: bonds (distance) C4'-P energy: -92.358 bonds (distance) P-C4' energy: -94.714 flat angles C4'-P-C4' energy: -78.287 flat angles P-C4'-P energy: -48.695 tors. eta vs tors. theta energy: -74.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -703.223184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.223184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.223184 (E_RNA) where: Base-Base interactions energy: -388.651 where: short stacking energy: -184.265 Base-Backbone interact. energy: 2.834 local terms energy: -317.406100 where: bonds (distance) C4'-P energy: -77.660 bonds (distance) P-C4' energy: -94.867 flat angles C4'-P-C4' energy: -91.076 flat angles P-C4'-P energy: -55.960 tors. eta vs tors. theta energy: 2.156 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: 52 Temperature: 0.900000 Total energy: -1834.871999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.871999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.871999 (E_RNA) where: Base-Base interactions energy: -1267.972 where: short stacking energy: -525.716 Base-Backbone interact. energy: -2.641 local terms energy: -564.258933 where: bonds (distance) C4'-P energy: -95.049 bonds (distance) P-C4' energy: -115.165 flat angles C4'-P-C4' energy: -124.467 flat angles P-C4'-P energy: -84.432 tors. eta vs tors. theta energy: -145.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1811.313216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.313216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.313216 (E_RNA) where: Base-Base interactions energy: -1222.141 where: short stacking energy: -543.283 Base-Backbone interact. energy: -2.834 local terms energy: -586.337603 where: bonds (distance) C4'-P energy: -103.625 bonds (distance) P-C4' energy: -118.564 flat angles C4'-P-C4' energy: -121.728 flat angles P-C4'-P energy: -81.460 tors. eta vs tors. theta energy: -160.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1731.482893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.482893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.482893 (E_RNA) where: Base-Base interactions energy: -1203.722 where: short stacking energy: -484.255 Base-Backbone interact. energy: -4.228 local terms energy: -523.533290 where: bonds (distance) C4'-P energy: -104.700 bonds (distance) P-C4' energy: -115.777 flat angles C4'-P-C4' energy: -107.958 flat angles P-C4'-P energy: -63.075 tors. eta vs tors. theta energy: -132.023 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: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1630.831314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.831314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.831314 (E_RNA) where: Base-Base interactions energy: -1118.400 where: short stacking energy: -471.729 Base-Backbone interact. energy: -4.304 local terms energy: -508.128256 where: bonds (distance) C4'-P energy: -112.360 bonds (distance) P-C4' energy: -100.035 flat angles C4'-P-C4' energy: -97.968 flat angles P-C4'-P energy: -73.057 tors. eta vs tors. theta energy: -124.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1520.083164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.083164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.083164 (E_RNA) where: Base-Base interactions energy: -1026.416 where: short stacking energy: -454.713 Base-Backbone interact. energy: -1.511 local terms energy: -492.156289 where: bonds (distance) C4'-P energy: -93.108 bonds (distance) P-C4' energy: -98.987 flat angles C4'-P-C4' energy: -110.181 flat angles P-C4'-P energy: -60.084 tors. eta vs tors. theta energy: -129.797 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: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1490.109997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.109997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.109997 (E_RNA) where: Base-Base interactions energy: -1007.656 where: short stacking energy: -430.583 Base-Backbone interact. energy: -2.545 local terms energy: -479.908857 where: bonds (distance) C4'-P energy: -88.209 bonds (distance) P-C4' energy: -87.246 flat angles C4'-P-C4' energy: -116.386 flat angles P-C4'-P energy: -72.479 tors. eta vs tors. theta energy: -115.589 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: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1435.005912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.005912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.005912 (E_RNA) where: Base-Base interactions energy: -985.261 where: short stacking energy: -425.963 Base-Backbone interact. energy: 1.965 local terms energy: -451.709745 where: bonds (distance) C4'-P energy: -89.435 bonds (distance) P-C4' energy: -70.461 flat angles C4'-P-C4' energy: -119.646 flat angles P-C4'-P energy: -60.779 tors. eta vs tors. theta energy: -111.388 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: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1278.806299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.806299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.806299 (E_RNA) where: Base-Base interactions energy: -847.135 where: short stacking energy: -384.531 Base-Backbone interact. energy: -3.878 local terms energy: -427.793089 where: bonds (distance) C4'-P energy: -87.022 bonds (distance) P-C4' energy: -86.318 flat angles C4'-P-C4' energy: -106.927 flat angles P-C4'-P energy: -46.770 tors. eta vs tors. theta energy: -100.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1159.042129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.042129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.042129 (E_RNA) where: Base-Base interactions energy: -732.053 where: short stacking energy: -314.502 Base-Backbone interact. energy: 0.724 local terms energy: -427.712904 where: bonds (distance) C4'-P energy: -96.796 bonds (distance) P-C4' energy: -102.863 flat angles C4'-P-C4' energy: -90.098 flat angles P-C4'-P energy: -68.048 tors. eta vs tors. theta energy: -69.908 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: 8 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -714.964720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.964720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.964720 (E_RNA) where: Base-Base interactions energy: -418.288 where: short stacking energy: -216.409 Base-Backbone interact. energy: -1.209 local terms energy: -295.467853 where: bonds (distance) C4'-P energy: -96.672 bonds (distance) P-C4' energy: -73.744 flat angles C4'-P-C4' energy: -70.562 flat angles P-C4'-P energy: -47.962 tors. eta vs tors. theta energy: -6.527 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: 53 Temperature: 0.900000 Total energy: -1839.221980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.221980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.221980 (E_RNA) where: Base-Base interactions energy: -1281.249 where: short stacking energy: -512.310 Base-Backbone interact. energy: -2.244 local terms energy: -555.729534 where: bonds (distance) C4'-P energy: -118.370 bonds (distance) P-C4' energy: -98.344 flat angles C4'-P-C4' energy: -126.877 flat angles P-C4'-P energy: -69.207 tors. eta vs tors. theta energy: -142.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1804.947725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.947725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.947725 (E_RNA) where: Base-Base interactions energy: -1232.948 where: short stacking energy: -523.460 Base-Backbone interact. energy: 1.982 local terms energy: -573.981547 where: bonds (distance) C4'-P energy: -110.542 bonds (distance) P-C4' energy: -93.349 flat angles C4'-P-C4' energy: -128.067 flat angles P-C4'-P energy: -88.354 tors. eta vs tors. theta energy: -153.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1753.040589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.040589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.040589 (E_RNA) where: Base-Base interactions energy: -1214.074 where: short stacking energy: -491.715 Base-Backbone interact. energy: -5.236 local terms energy: -533.730237 where: bonds (distance) C4'-P energy: -97.247 bonds (distance) P-C4' energy: -109.010 flat angles C4'-P-C4' energy: -119.080 flat angles P-C4'-P energy: -74.627 tors. eta vs tors. theta energy: -133.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1636.836567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.836567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.836567 (E_RNA) where: Base-Base interactions energy: -1108.414 where: short stacking energy: -491.320 Base-Backbone interact. energy: -4.128 local terms energy: -524.294507 where: bonds (distance) C4'-P energy: -80.555 bonds (distance) P-C4' energy: -98.022 flat angles C4'-P-C4' energy: -119.998 flat angles P-C4'-P energy: -84.875 tors. eta vs tors. theta energy: -140.845 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: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1504.191594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.191594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.191594 (E_RNA) where: Base-Base interactions energy: -1032.842 where: short stacking energy: -420.451 Base-Backbone interact. energy: -1.386 local terms energy: -469.962861 where: bonds (distance) C4'-P energy: -97.291 bonds (distance) P-C4' energy: -96.994 flat angles C4'-P-C4' energy: -105.046 flat angles P-C4'-P energy: -68.933 tors. eta vs tors. theta energy: -101.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1483.305674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.305674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.305674 (E_RNA) where: Base-Base interactions energy: -1019.866 where: short stacking energy: -423.186 Base-Backbone interact. energy: -2.133 local terms energy: -461.306905 where: bonds (distance) C4'-P energy: -101.186 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -59.990 tors. eta vs tors. theta energy: -112.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1404.197232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.197232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.197232 (E_RNA) where: Base-Base interactions energy: -967.104 where: short stacking energy: -396.096 Base-Backbone interact. energy: -1.131 local terms energy: -435.962980 where: bonds (distance) C4'-P energy: -87.471 bonds (distance) P-C4' energy: -92.851 flat angles C4'-P-C4' energy: -88.161 flat angles P-C4'-P energy: -68.147 tors. eta vs tors. theta energy: -99.332 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: 8, replica: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1274.081533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.081533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.081533 (E_RNA) where: Base-Base interactions energy: -817.697 where: short stacking energy: -350.504 Base-Backbone interact. energy: -0.651 local terms energy: -455.733824 where: bonds (distance) C4'-P energy: -98.428 bonds (distance) P-C4' energy: -92.209 flat angles C4'-P-C4' energy: -98.260 flat angles P-C4'-P energy: -76.635 tors. eta vs tors. theta energy: -90.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1152.745628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.745628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.745628 (E_RNA) where: Base-Base interactions energy: -763.225 where: short stacking energy: -313.973 Base-Backbone interact. energy: -1.075 local terms energy: -388.446006 where: bonds (distance) C4'-P energy: -90.269 bonds (distance) P-C4' energy: -77.867 flat angles C4'-P-C4' energy: -95.239 flat angles P-C4'-P energy: -56.005 tors. eta vs tors. theta energy: -69.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -673.015478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.015478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.015478 (E_RNA) where: Base-Base interactions energy: -357.583 where: short stacking energy: -161.189 Base-Backbone interact. energy: 3.884 local terms energy: -319.316043 where: bonds (distance) C4'-P energy: -93.057 bonds (distance) P-C4' energy: -101.583 flat angles C4'-P-C4' energy: -68.097 flat angles P-C4'-P energy: -55.203 tors. eta vs tors. theta energy: -1.376 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: -1842.987294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.987294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.987294 (E_RNA) where: Base-Base interactions energy: -1282.860 where: short stacking energy: -526.800 Base-Backbone interact. energy: -2.164 local terms energy: -557.963255 where: bonds (distance) C4'-P energy: -97.750 bonds (distance) P-C4' energy: -115.855 flat angles C4'-P-C4' energy: -117.919 flat angles P-C4'-P energy: -76.046 tors. eta vs tors. theta energy: -150.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1861.480818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.480818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.480818 (E_RNA) where: Base-Base interactions energy: -1268.950 where: short stacking energy: -543.225 Base-Backbone interact. energy: -0.768 local terms energy: -591.762922 where: bonds (distance) C4'-P energy: -109.081 bonds (distance) P-C4' energy: -119.524 flat angles C4'-P-C4' energy: -119.528 flat angles P-C4'-P energy: -81.323 tors. eta vs tors. theta energy: -162.308 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: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1707.609617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.609617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.609617 (E_RNA) where: Base-Base interactions energy: -1160.840 where: short stacking energy: -515.116 Base-Backbone interact. energy: -3.015 local terms energy: -543.755026 where: bonds (distance) C4'-P energy: -108.200 bonds (distance) P-C4' energy: -102.872 flat angles C4'-P-C4' energy: -104.565 flat angles P-C4'-P energy: -88.589 tors. eta vs tors. theta energy: -139.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1709.153328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.153328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.153328 (E_RNA) where: Base-Base interactions energy: -1191.965 where: short stacking energy: -481.132 Base-Backbone interact. energy: -0.104 local terms energy: -517.084113 where: bonds (distance) C4'-P energy: -87.946 bonds (distance) P-C4' energy: -106.531 flat angles C4'-P-C4' energy: -116.984 flat angles P-C4'-P energy: -66.177 tors. eta vs tors. theta energy: -139.446 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: 5, replica: 6 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1522.971643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.971643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.971643 (E_RNA) where: Base-Base interactions energy: -1053.602 where: short stacking energy: -468.332 Base-Backbone interact. energy: 4.332 local terms energy: -473.701240 where: bonds (distance) C4'-P energy: -94.696 bonds (distance) P-C4' energy: -89.354 flat angles C4'-P-C4' energy: -105.126 flat angles P-C4'-P energy: -59.697 tors. eta vs tors. theta energy: -124.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1459.681921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.681921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.681921 (E_RNA) where: Base-Base interactions energy: -1005.933 where: short stacking energy: -413.087 Base-Backbone interact. energy: -0.666 local terms energy: -453.083331 where: bonds (distance) C4'-P energy: -94.707 bonds (distance) P-C4' energy: -90.347 flat angles C4'-P-C4' energy: -102.640 flat angles P-C4'-P energy: -67.338 tors. eta vs tors. theta energy: -98.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1392.951471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.951471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.951471 (E_RNA) where: Base-Base interactions energy: -941.383 where: short stacking energy: -407.032 Base-Backbone interact. energy: 1.656 local terms energy: -453.224906 where: bonds (distance) C4'-P energy: -99.874 bonds (distance) P-C4' energy: -100.156 flat angles C4'-P-C4' energy: -102.674 flat angles P-C4'-P energy: -54.838 tors. eta vs tors. theta energy: -95.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1260.142605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.142605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.142605 (E_RNA) where: Base-Base interactions energy: -818.675 where: short stacking energy: -353.190 Base-Backbone interact. energy: 0.687 local terms energy: -442.154879 where: bonds (distance) C4'-P energy: -86.507 bonds (distance) P-C4' energy: -98.437 flat angles C4'-P-C4' energy: -97.499 flat angles P-C4'-P energy: -74.815 tors. eta vs tors. theta energy: -84.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1112.863333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.863333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.863333 (E_RNA) where: Base-Base interactions energy: -724.838 where: short stacking energy: -284.570 Base-Backbone interact. energy: 0.254 local terms energy: -388.278672 where: bonds (distance) C4'-P energy: -98.385 bonds (distance) P-C4' energy: -89.350 flat angles C4'-P-C4' energy: -90.812 flat angles P-C4'-P energy: -53.083 tors. eta vs tors. theta energy: -56.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -730.056196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.056196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.056196 (E_RNA) where: Base-Base interactions energy: -434.241 where: short stacking energy: -221.013 Base-Backbone interact. energy: 1.779 local terms energy: -297.593899 where: bonds (distance) C4'-P energy: -91.467 bonds (distance) P-C4' energy: -70.554 flat angles C4'-P-C4' energy: -82.226 flat angles P-C4'-P energy: -31.328 tors. eta vs tors. theta energy: -22.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1849.115046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.115046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.115046 (E_RNA) where: Base-Base interactions energy: -1291.577 where: short stacking energy: -536.630 Base-Backbone interact. energy: -4.464 local terms energy: -553.074112 where: bonds (distance) C4'-P energy: -103.305 bonds (distance) P-C4' energy: -104.930 flat angles C4'-P-C4' energy: -117.051 flat angles P-C4'-P energy: -76.910 tors. eta vs tors. theta energy: -150.878 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: 2, replica: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1872.415405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.415405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.415405 (E_RNA) where: Base-Base interactions energy: -1271.414 where: short stacking energy: -548.387 Base-Backbone interact. energy: 0.198 local terms energy: -601.199177 where: bonds (distance) C4'-P energy: -111.712 bonds (distance) P-C4' energy: -115.486 flat angles C4'-P-C4' energy: -130.116 flat angles P-C4'-P energy: -78.267 tors. eta vs tors. theta energy: -165.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1703.355281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.355281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.355281 (E_RNA) where: Base-Base interactions energy: -1164.739 where: short stacking energy: -526.033 Base-Backbone interact. energy: -1.791 local terms energy: -536.825925 where: bonds (distance) C4'-P energy: -88.833 bonds (distance) P-C4' energy: -102.894 flat angles C4'-P-C4' energy: -122.941 flat angles P-C4'-P energy: -80.682 tors. eta vs tors. theta energy: -141.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1734.030058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.030058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.030058 (E_RNA) where: Base-Base interactions energy: -1212.741 where: short stacking energy: -489.987 Base-Backbone interact. energy: -0.557 local terms energy: -520.732370 where: bonds (distance) C4'-P energy: -95.183 bonds (distance) P-C4' energy: -105.001 flat angles C4'-P-C4' energy: -114.024 flat angles P-C4'-P energy: -70.068 tors. eta vs tors. theta energy: -136.457 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: 5, replica: 6 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1582.398196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.398196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.398196 (E_RNA) where: Base-Base interactions energy: -1087.362 where: short stacking energy: -443.039 Base-Backbone interact. energy: 0.715 local terms energy: -495.750582 where: bonds (distance) C4'-P energy: -98.043 bonds (distance) P-C4' energy: -97.374 flat angles C4'-P-C4' energy: -106.313 flat angles P-C4'-P energy: -69.894 tors. eta vs tors. theta energy: -124.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1477.202574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.202574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.202574 (E_RNA) where: Base-Base interactions energy: -1029.055 where: short stacking energy: -423.479 Base-Backbone interact. energy: 3.393 local terms energy: -451.540631 where: bonds (distance) C4'-P energy: -79.576 bonds (distance) P-C4' energy: -99.622 flat angles C4'-P-C4' energy: -95.960 flat angles P-C4'-P energy: -58.611 tors. eta vs tors. theta energy: -117.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1359.286920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.286920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.286920 (E_RNA) where: Base-Base interactions energy: -903.722 where: short stacking energy: -369.295 Base-Backbone interact. energy: -1.316 local terms energy: -454.248410 where: bonds (distance) C4'-P energy: -87.359 bonds (distance) P-C4' energy: -98.712 flat angles C4'-P-C4' energy: -99.934 flat angles P-C4'-P energy: -68.297 tors. eta vs tors. theta energy: -99.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1282.834302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.834302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.834302 (E_RNA) where: Base-Base interactions energy: -835.405 where: short stacking energy: -348.366 Base-Backbone interact. energy: 0.036 local terms energy: -447.464847 where: bonds (distance) C4'-P energy: -94.330 bonds (distance) P-C4' energy: -100.661 flat angles C4'-P-C4' energy: -91.809 flat angles P-C4'-P energy: -70.675 tors. eta vs tors. theta energy: -89.990 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: 55 Temperature: 1.300000 Total energy: -1110.050908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.050908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.050908 (E_RNA) where: Base-Base interactions energy: -723.493 where: short stacking energy: -305.793 Base-Backbone interact. energy: -1.249 local terms energy: -385.309085 where: bonds (distance) C4'-P energy: -89.651 bonds (distance) P-C4' energy: -85.852 flat angles C4'-P-C4' energy: -89.650 flat angles P-C4'-P energy: -50.087 tors. eta vs tors. theta energy: -70.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -759.984181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.984181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.984181 (E_RNA) where: Base-Base interactions energy: -449.393 where: short stacking energy: -195.503 Base-Backbone interact. energy: -2.925 local terms energy: -307.666977 where: bonds (distance) C4'-P energy: -83.439 bonds (distance) P-C4' energy: -97.424 flat angles C4'-P-C4' energy: -66.612 flat angles P-C4'-P energy: -39.734 tors. eta vs tors. theta energy: -20.457 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: 1 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1874.501487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.501487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.501487 (E_RNA) where: Base-Base interactions energy: -1290.638 where: short stacking energy: -525.875 Base-Backbone interact. energy: -5.120 local terms energy: -578.743777 where: bonds (distance) C4'-P energy: -104.154 bonds (distance) P-C4' energy: -116.183 flat angles C4'-P-C4' energy: -124.353 flat angles P-C4'-P energy: -74.126 tors. eta vs tors. theta energy: -159.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1818.657930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.657930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.657930 (E_RNA) where: Base-Base interactions energy: -1261.048 where: short stacking energy: -524.839 Base-Backbone interact. energy: -2.314 local terms energy: -555.296734 where: bonds (distance) C4'-P energy: -103.231 bonds (distance) P-C4' energy: -93.911 flat angles C4'-P-C4' energy: -124.748 flat angles P-C4'-P energy: -85.788 tors. eta vs tors. theta energy: -147.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1721.423159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.423159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.423159 (E_RNA) where: Base-Base interactions energy: -1183.058 where: short stacking energy: -508.072 Base-Backbone interact. energy: -1.278 local terms energy: -537.086262 where: bonds (distance) C4'-P energy: -101.292 bonds (distance) P-C4' energy: -88.824 flat angles C4'-P-C4' energy: -121.480 flat angles P-C4'-P energy: -80.100 tors. eta vs tors. theta energy: -145.390 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: 4, replica: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1653.598120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.598120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.598120 (E_RNA) where: Base-Base interactions energy: -1153.930 where: short stacking energy: -501.666 Base-Backbone interact. energy: 0.408 local terms energy: -500.076388 where: bonds (distance) C4'-P energy: -93.133 bonds (distance) P-C4' energy: -88.364 flat angles C4'-P-C4' energy: -111.266 flat angles P-C4'-P energy: -66.628 tors. eta vs tors. theta energy: -140.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1565.831106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.831106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.831106 (E_RNA) where: Base-Base interactions energy: -1050.694 where: short stacking energy: -430.981 Base-Backbone interact. energy: -2.867 local terms energy: -512.270267 where: bonds (distance) C4'-P energy: -95.680 bonds (distance) P-C4' energy: -106.448 flat angles C4'-P-C4' energy: -123.151 flat angles P-C4'-P energy: -60.045 tors. eta vs tors. theta energy: -126.946 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: 2 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1471.184166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.184166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.184166 (E_RNA) where: Base-Base interactions energy: -1004.963 where: short stacking energy: -406.171 Base-Backbone interact. energy: -0.492 local terms energy: -465.729822 where: bonds (distance) C4'-P energy: -92.590 bonds (distance) P-C4' energy: -96.410 flat angles C4'-P-C4' energy: -100.501 flat angles P-C4'-P energy: -70.001 tors. eta vs tors. theta energy: -106.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1352.296899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.296899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.296899 (E_RNA) where: Base-Base interactions energy: -914.729 where: short stacking energy: -400.894 Base-Backbone interact. energy: -1.085 local terms energy: -436.483550 where: bonds (distance) C4'-P energy: -86.001 bonds (distance) P-C4' energy: -85.960 flat angles C4'-P-C4' energy: -93.595 flat angles P-C4'-P energy: -64.011 tors. eta vs tors. theta energy: -106.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1277.840251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.840251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.840251 (E_RNA) where: Base-Base interactions energy: -837.619 where: short stacking energy: -360.512 Base-Backbone interact. energy: -1.809 local terms energy: -438.412176 where: bonds (distance) C4'-P energy: -100.193 bonds (distance) P-C4' energy: -86.254 flat angles C4'-P-C4' energy: -100.722 flat angles P-C4'-P energy: -58.728 tors. eta vs tors. theta energy: -92.515 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: 56 Temperature: 1.300000 Total energy: -1110.682884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.682884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.682884 (E_RNA) where: Base-Base interactions energy: -725.470 where: short stacking energy: -307.576 Base-Backbone interact. energy: -0.395 local terms energy: -384.817693 where: bonds (distance) C4'-P energy: -84.351 bonds (distance) P-C4' energy: -95.903 flat angles C4'-P-C4' energy: -98.462 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: -54.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -728.148040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.148040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.148040 (E_RNA) where: Base-Base interactions energy: -410.928 where: short stacking energy: -209.657 Base-Backbone interact. energy: -2.117 local terms energy: -315.102473 where: bonds (distance) C4'-P energy: -92.480 bonds (distance) P-C4' energy: -80.221 flat angles C4'-P-C4' energy: -76.830 flat angles P-C4'-P energy: -49.246 tors. eta vs tors. theta energy: -16.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1860.626767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.626767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.626767 (E_RNA) where: Base-Base interactions energy: -1296.487 where: short stacking energy: -530.788 Base-Backbone interact. energy: 1.608 local terms energy: -565.748361 where: bonds (distance) C4'-P energy: -103.839 bonds (distance) P-C4' energy: -94.494 flat angles C4'-P-C4' energy: -127.725 flat angles P-C4'-P energy: -78.467 tors. eta vs tors. theta energy: -161.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1818.372100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.372100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.372100 (E_RNA) where: Base-Base interactions energy: -1247.514 where: short stacking energy: -508.972 Base-Backbone interact. energy: -4.091 local terms energy: -566.767659 where: bonds (distance) C4'-P energy: -110.956 bonds (distance) P-C4' energy: -109.124 flat angles C4'-P-C4' energy: -120.936 flat angles P-C4'-P energy: -78.817 tors. eta vs tors. theta energy: -146.934 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: 57 Temperature: 1.000000 Total energy: -1696.641982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.641982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.641982 (E_RNA) where: Base-Base interactions energy: -1179.774 where: short stacking energy: -457.817 Base-Backbone interact. energy: -1.257 local terms energy: -515.610973 where: bonds (distance) C4'-P energy: -111.563 bonds (distance) P-C4' energy: -88.631 flat angles C4'-P-C4' energy: -111.986 flat angles P-C4'-P energy: -77.595 tors. eta vs tors. theta energy: -125.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1656.998970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.998970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.998970 (E_RNA) where: Base-Base interactions energy: -1119.610 where: short stacking energy: -493.257 Base-Backbone interact. energy: -2.642 local terms energy: -534.746220 where: bonds (distance) C4'-P energy: -109.184 bonds (distance) P-C4' energy: -94.757 flat angles C4'-P-C4' energy: -107.476 flat angles P-C4'-P energy: -76.552 tors. eta vs tors. theta energy: -146.778 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: 6 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1562.342224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.342224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.342224 (E_RNA) where: Base-Base interactions energy: -1076.477 where: short stacking energy: -444.850 Base-Backbone interact. energy: -3.528 local terms energy: -482.337290 where: bonds (distance) C4'-P energy: -96.578 bonds (distance) P-C4' energy: -98.378 flat angles C4'-P-C4' energy: -110.662 flat angles P-C4'-P energy: -68.131 tors. eta vs tors. theta energy: -108.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1489.507874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.507874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.507874 (E_RNA) where: Base-Base interactions energy: -994.069 where: short stacking energy: -440.664 Base-Backbone interact. energy: 1.362 local terms energy: -496.800728 where: bonds (distance) C4'-P energy: -108.997 bonds (distance) P-C4' energy: -100.573 flat angles C4'-P-C4' energy: -108.670 flat angles P-C4'-P energy: -62.628 tors. eta vs tors. theta energy: -115.934 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: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1356.018034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.018034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.018034 (E_RNA) where: Base-Base interactions energy: -923.750 where: short stacking energy: -406.917 Base-Backbone interact. energy: -2.260 local terms energy: -430.007975 where: bonds (distance) C4'-P energy: -78.768 bonds (distance) P-C4' energy: -93.215 flat angles C4'-P-C4' energy: -107.610 flat angles P-C4'-P energy: -54.123 tors. eta vs tors. theta energy: -96.292 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: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1269.279722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.279722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.279722 (E_RNA) where: Base-Base interactions energy: -854.418 where: short stacking energy: -344.304 Base-Backbone interact. energy: 1.195 local terms energy: -416.056252 where: bonds (distance) C4'-P energy: -89.302 bonds (distance) P-C4' energy: -87.760 flat angles C4'-P-C4' energy: -96.678 flat angles P-C4'-P energy: -60.961 tors. eta vs tors. theta energy: -81.354 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: 57 Temperature: 1.300000 Total energy: -1112.489404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.489404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.489404 (E_RNA) where: Base-Base interactions energy: -731.209 where: short stacking energy: -319.548 Base-Backbone interact. energy: -0.910 local terms energy: -380.371101 where: bonds (distance) C4'-P energy: -80.822 bonds (distance) P-C4' energy: -94.571 flat angles C4'-P-C4' energy: -93.128 flat angles P-C4'-P energy: -49.608 tors. eta vs tors. theta energy: -62.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -738.037695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.037695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.037695 (E_RNA) where: Base-Base interactions energy: -420.759 where: short stacking energy: -181.756 Base-Backbone interact. energy: 1.357 local terms energy: -318.635591 where: bonds (distance) C4'-P energy: -97.269 bonds (distance) P-C4' energy: -98.633 flat angles C4'-P-C4' energy: -83.637 flat angles P-C4'-P energy: -36.123 tors. eta vs tors. theta energy: -2.975 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: 58 Temperature: 0.900000 Total energy: -1890.306672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.306672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.306672 (E_RNA) where: Base-Base interactions energy: -1293.519 where: short stacking energy: -557.320 Base-Backbone interact. energy: -4.370 local terms energy: -592.417873 where: bonds (distance) C4'-P energy: -112.644 bonds (distance) P-C4' energy: -111.605 flat angles C4'-P-C4' energy: -124.848 flat angles P-C4'-P energy: -80.536 tors. eta vs tors. theta energy: -162.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1837.275842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.275842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.275842 (E_RNA) where: Base-Base interactions energy: -1274.484 where: short stacking energy: -509.569 Base-Backbone interact. energy: -2.335 local terms energy: -560.456559 where: bonds (distance) C4'-P energy: -104.432 bonds (distance) P-C4' energy: -104.433 flat angles C4'-P-C4' energy: -125.400 flat angles P-C4'-P energy: -75.477 tors. eta vs tors. theta energy: -150.715 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: 58 Temperature: 1.000000 Total energy: -1696.070379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.070379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.070379 (E_RNA) where: Base-Base interactions energy: -1161.191 where: short stacking energy: -482.196 Base-Backbone interact. energy: 1.955 local terms energy: -536.834680 where: bonds (distance) C4'-P energy: -100.800 bonds (distance) P-C4' energy: -108.104 flat angles C4'-P-C4' energy: -112.171 flat angles P-C4'-P energy: -81.352 tors. eta vs tors. theta energy: -134.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1654.628708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.628708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.628708 (E_RNA) where: Base-Base interactions energy: -1125.784 where: short stacking energy: -484.750 Base-Backbone interact. energy: -1.860 local terms energy: -526.984526 where: bonds (distance) C4'-P energy: -96.924 bonds (distance) P-C4' energy: -100.218 flat angles C4'-P-C4' energy: -119.789 flat angles P-C4'-P energy: -75.431 tors. eta vs tors. theta energy: -134.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1565.355698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.355698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.355698 (E_RNA) where: Base-Base interactions energy: -1053.348 where: short stacking energy: -431.587 Base-Backbone interact. energy: -3.486 local terms energy: -508.521744 where: bonds (distance) C4'-P energy: -96.164 bonds (distance) P-C4' energy: -101.871 flat angles C4'-P-C4' energy: -109.178 flat angles P-C4'-P energy: -80.361 tors. eta vs tors. theta energy: -120.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1491.844388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.844388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.844388 (E_RNA) where: Base-Base interactions energy: -1002.060 where: short stacking energy: -424.115 Base-Backbone interact. energy: -1.141 local terms energy: -488.643787 where: bonds (distance) C4'-P energy: -108.452 bonds (distance) P-C4' energy: -91.109 flat angles C4'-P-C4' energy: -102.713 flat angles P-C4'-P energy: -77.101 tors. eta vs tors. theta energy: -109.270 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: 7 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1363.135413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.135413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.135413 (E_RNA) where: Base-Base interactions energy: -912.902 where: short stacking energy: -401.801 Base-Backbone interact. energy: -1.980 local terms energy: -448.253918 where: bonds (distance) C4'-P energy: -85.708 bonds (distance) P-C4' energy: -100.908 flat angles C4'-P-C4' energy: -97.031 flat angles P-C4'-P energy: -63.544 tors. eta vs tors. theta energy: -101.064 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: 8, replica: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1274.031040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.031040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.031040 (E_RNA) where: Base-Base interactions energy: -818.216 where: short stacking energy: -349.642 Base-Backbone interact. energy: -1.541 local terms energy: -454.274676 where: bonds (distance) C4'-P energy: -89.495 bonds (distance) P-C4' energy: -92.143 flat angles C4'-P-C4' energy: -110.396 flat angles P-C4'-P energy: -76.186 tors. eta vs tors. theta energy: -86.055 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: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1093.094466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.094466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.094466 (E_RNA) where: Base-Base interactions energy: -713.992 where: short stacking energy: -304.794 Base-Backbone interact. energy: 6.477 local terms energy: -385.579186 where: bonds (distance) C4'-P energy: -95.250 bonds (distance) P-C4' energy: -88.924 flat angles C4'-P-C4' energy: -84.435 flat angles P-C4'-P energy: -58.969 tors. eta vs tors. theta energy: -58.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -762.461860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.461860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.461860 (E_RNA) where: Base-Base interactions energy: -432.821 where: short stacking energy: -223.028 Base-Backbone interact. energy: -3.160 local terms energy: -326.479938 where: bonds (distance) C4'-P energy: -90.044 bonds (distance) P-C4' energy: -87.429 flat angles C4'-P-C4' energy: -77.411 flat angles P-C4'-P energy: -48.338 tors. eta vs tors. theta energy: -23.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1882.648130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.648130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.648130 (E_RNA) where: Base-Base interactions energy: -1302.998 where: short stacking energy: -542.464 Base-Backbone interact. energy: -1.923 local terms energy: -577.727086 where: bonds (distance) C4'-P energy: -107.885 bonds (distance) P-C4' energy: -101.618 flat angles C4'-P-C4' energy: -119.603 flat angles P-C4'-P energy: -79.116 tors. eta vs tors. theta energy: -169.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1820.220886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.220886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.220886 (E_RNA) where: Base-Base interactions energy: -1259.036 where: short stacking energy: -520.849 Base-Backbone interact. energy: 3.761 local terms energy: -564.945698 where: bonds (distance) C4'-P energy: -106.299 bonds (distance) P-C4' energy: -105.368 flat angles C4'-P-C4' energy: -119.184 flat angles P-C4'-P energy: -77.479 tors. eta vs tors. theta energy: -156.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1693.758740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.758740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.758740 (E_RNA) where: Base-Base interactions energy: -1167.043 where: short stacking energy: -491.438 Base-Backbone interact. energy: -3.987 local terms energy: -522.727965 where: bonds (distance) C4'-P energy: -106.572 bonds (distance) P-C4' energy: -95.303 flat angles C4'-P-C4' energy: -112.283 flat angles P-C4'-P energy: -69.267 tors. eta vs tors. theta energy: -139.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1611.968302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.968302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.968302 (E_RNA) where: Base-Base interactions energy: -1088.554 where: short stacking energy: -464.383 Base-Backbone interact. energy: -1.897 local terms energy: -521.517937 where: bonds (distance) C4'-P energy: -104.898 bonds (distance) P-C4' energy: -104.378 flat angles C4'-P-C4' energy: -114.815 flat angles P-C4'-P energy: -64.499 tors. eta vs tors. theta energy: -132.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1604.680899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.680899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.680899 (E_RNA) where: Base-Base interactions energy: -1092.596 where: short stacking energy: -436.393 Base-Backbone interact. energy: -0.418 local terms energy: -511.666920 where: bonds (distance) C4'-P energy: -90.696 bonds (distance) P-C4' energy: -95.873 flat angles C4'-P-C4' energy: -120.424 flat angles P-C4'-P energy: -80.379 tors. eta vs tors. theta energy: -124.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1461.279868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.279868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.279868 (E_RNA) where: Base-Base interactions energy: -984.674 where: short stacking energy: -415.049 Base-Backbone interact. energy: -3.187 local terms energy: -473.419612 where: bonds (distance) C4'-P energy: -98.863 bonds (distance) P-C4' energy: -95.144 flat angles C4'-P-C4' energy: -102.279 flat angles P-C4'-P energy: -68.996 tors. eta vs tors. theta energy: -108.138 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: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1354.129681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.129681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.129681 (E_RNA) where: Base-Base interactions energy: -918.777 where: short stacking energy: -403.788 Base-Backbone interact. energy: -2.307 local terms energy: -433.045601 where: bonds (distance) C4'-P energy: -89.943 bonds (distance) P-C4' energy: -94.532 flat angles C4'-P-C4' energy: -97.902 flat angles P-C4'-P energy: -49.636 tors. eta vs tors. theta energy: -101.032 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: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1261.108107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.108107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.108107 (E_RNA) where: Base-Base interactions energy: -825.107 where: short stacking energy: -355.178 Base-Backbone interact. energy: -2.936 local terms energy: -433.065376 where: bonds (distance) C4'-P energy: -101.492 bonds (distance) P-C4' energy: -106.623 flat angles C4'-P-C4' energy: -97.451 flat angles P-C4'-P energy: -47.155 tors. eta vs tors. theta energy: -80.344 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: 59 Temperature: 1.300000 Total energy: -1117.760717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.760717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.760717 (E_RNA) where: Base-Base interactions energy: -714.682 where: short stacking energy: -305.169 Base-Backbone interact. energy: -0.292 local terms energy: -402.787568 where: bonds (distance) C4'-P energy: -89.776 bonds (distance) P-C4' energy: -93.175 flat angles C4'-P-C4' energy: -89.043 flat angles P-C4'-P energy: -67.332 tors. eta vs tors. theta energy: -63.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -706.862318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.862318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.862318 (E_RNA) where: Base-Base interactions energy: -395.646 where: short stacking energy: -174.495 Base-Backbone interact. energy: -1.443 local terms energy: -309.773067 where: bonds (distance) C4'-P energy: -92.376 bonds (distance) P-C4' energy: -89.947 flat angles C4'-P-C4' energy: -86.456 flat angles P-C4'-P energy: -47.366 tors. eta vs tors. theta energy: 6.371 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: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1884.424161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.424161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.424161 (E_RNA) where: Base-Base interactions energy: -1285.951 where: short stacking energy: -535.390 Base-Backbone interact. energy: -2.439 local terms energy: -596.034275 where: bonds (distance) C4'-P energy: -114.088 bonds (distance) P-C4' energy: -107.044 flat angles C4'-P-C4' energy: -132.484 flat angles P-C4'-P energy: -82.961 tors. eta vs tors. theta energy: -159.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1812.964945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.964945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.964945 (E_RNA) where: Base-Base interactions energy: -1260.761 where: short stacking energy: -503.136 Base-Backbone interact. energy: -2.797 local terms energy: -549.406591 where: bonds (distance) C4'-P energy: -98.657 bonds (distance) P-C4' energy: -102.230 flat angles C4'-P-C4' energy: -124.047 flat angles P-C4'-P energy: -76.941 tors. eta vs tors. theta energy: -147.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1705.378241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.378241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.378241 (E_RNA) where: Base-Base interactions energy: -1172.084 where: short stacking energy: -498.900 Base-Backbone interact. energy: -2.112 local terms energy: -531.181545 where: bonds (distance) C4'-P energy: -102.719 bonds (distance) P-C4' energy: -105.820 flat angles C4'-P-C4' energy: -110.367 flat angles P-C4'-P energy: -80.576 tors. eta vs tors. theta energy: -131.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1654.733423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.733423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.733423 (E_RNA) where: Base-Base interactions energy: -1110.045 where: short stacking energy: -480.950 Base-Backbone interact. energy: -2.594 local terms energy: -542.094496 where: bonds (distance) C4'-P energy: -101.778 bonds (distance) P-C4' energy: -106.204 flat angles C4'-P-C4' energy: -115.977 flat angles P-C4'-P energy: -77.099 tors. eta vs tors. theta energy: -141.036 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: 5, replica: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1565.270582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.270582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.270582 (E_RNA) where: Base-Base interactions energy: -1067.669 where: short stacking energy: -455.823 Base-Backbone interact. energy: -1.103 local terms energy: -496.498790 where: bonds (distance) C4'-P energy: -97.594 bonds (distance) P-C4' energy: -108.896 flat angles C4'-P-C4' energy: -105.834 flat angles P-C4'-P energy: -70.025 tors. eta vs tors. theta energy: -114.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1528.849774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.849774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.849774 (E_RNA) where: Base-Base interactions energy: -1021.054 where: short stacking energy: -433.212 Base-Backbone interact. energy: 0.812 local terms energy: -508.607166 where: bonds (distance) C4'-P energy: -102.440 bonds (distance) P-C4' energy: -100.153 flat angles C4'-P-C4' energy: -119.321 flat angles P-C4'-P energy: -67.828 tors. eta vs tors. theta energy: -118.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1369.450475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.450475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.450475 (E_RNA) where: Base-Base interactions energy: -928.168 where: short stacking energy: -380.682 Base-Backbone interact. energy: 0.249 local terms energy: -441.530890 where: bonds (distance) C4'-P energy: -91.081 bonds (distance) P-C4' energy: -92.020 flat angles C4'-P-C4' energy: -99.403 flat angles P-C4'-P energy: -60.616 tors. eta vs tors. theta energy: -98.411 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: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1313.645247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.645247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.645247 (E_RNA) where: Base-Base interactions energy: -872.890 where: short stacking energy: -373.011 Base-Backbone interact. energy: -0.463 local terms energy: -440.292373 where: bonds (distance) C4'-P energy: -92.177 bonds (distance) P-C4' energy: -97.855 flat angles C4'-P-C4' energy: -109.246 flat angles P-C4'-P energy: -46.202 tors. eta vs tors. theta energy: -94.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1116.664579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.664579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.664579 (E_RNA) where: Base-Base interactions energy: -747.814 where: short stacking energy: -321.686 Base-Backbone interact. energy: 3.362 local terms energy: -372.211947 where: bonds (distance) C4'-P energy: -76.536 bonds (distance) P-C4' energy: -88.043 flat angles C4'-P-C4' energy: -89.553 flat angles P-C4'-P energy: -59.907 tors. eta vs tors. theta energy: -58.171 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: 8 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -628.942292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.942292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.942292 (E_RNA) where: Base-Base interactions energy: -347.489 where: short stacking energy: -180.826 Base-Backbone interact. energy: 1.575 local terms energy: -283.028421 where: bonds (distance) C4'-P energy: -81.011 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -75.593 flat angles P-C4'-P energy: -43.354 tors. eta vs tors. theta energy: -4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1870.632720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.632720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.632720 (E_RNA) where: Base-Base interactions energy: -1282.491 where: short stacking energy: -551.219 Base-Backbone interact. energy: -4.528 local terms energy: -583.614230 where: bonds (distance) C4'-P energy: -113.259 bonds (distance) P-C4' energy: -113.920 flat angles C4'-P-C4' energy: -115.115 flat angles P-C4'-P energy: -82.606 tors. eta vs tors. theta energy: -158.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1814.413720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.413720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.413720 (E_RNA) where: Base-Base interactions energy: -1237.031 where: short stacking energy: -492.833 Base-Backbone interact. energy: -0.895 local terms energy: -576.487136 where: bonds (distance) C4'-P energy: -118.800 bonds (distance) P-C4' energy: -114.446 flat angles C4'-P-C4' energy: -119.431 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -148.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1711.965513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.965513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.965513 (E_RNA) where: Base-Base interactions energy: -1165.540 where: short stacking energy: -483.279 Base-Backbone interact. energy: -3.149 local terms energy: -543.276837 where: bonds (distance) C4'-P energy: -96.229 bonds (distance) P-C4' energy: -117.047 flat angles C4'-P-C4' energy: -110.188 flat angles P-C4'-P energy: -74.346 tors. eta vs tors. theta energy: -145.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1659.783392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.783392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.783392 (E_RNA) where: Base-Base interactions energy: -1141.939 where: short stacking energy: -493.044 Base-Backbone interact. energy: -2.954 local terms energy: -514.890851 where: bonds (distance) C4'-P energy: -104.341 bonds (distance) P-C4' energy: -103.832 flat angles C4'-P-C4' energy: -98.190 flat angles P-C4'-P energy: -60.096 tors. eta vs tors. theta energy: -148.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1574.792748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.792748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.792748 (E_RNA) where: Base-Base interactions energy: -1061.164 where: short stacking energy: -421.346 Base-Backbone interact. energy: -3.021 local terms energy: -510.607668 where: bonds (distance) C4'-P energy: -102.600 bonds (distance) P-C4' energy: -109.908 flat angles C4'-P-C4' energy: -114.817 flat angles P-C4'-P energy: -65.772 tors. eta vs tors. theta energy: -117.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1470.047437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.047437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.047437 (E_RNA) where: Base-Base interactions energy: -1002.666 where: short stacking energy: -425.896 Base-Backbone interact. energy: -1.147 local terms energy: -466.235101 where: bonds (distance) C4'-P energy: -89.353 bonds (distance) P-C4' energy: -80.930 flat angles C4'-P-C4' energy: -115.886 flat angles P-C4'-P energy: -65.160 tors. eta vs tors. theta energy: -114.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1330.707420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.707420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.707420 (E_RNA) where: Base-Base interactions energy: -907.092 where: short stacking energy: -343.288 Base-Backbone interact. energy: 1.993 local terms energy: -425.608190 where: bonds (distance) C4'-P energy: -75.902 bonds (distance) P-C4' energy: -97.380 flat angles C4'-P-C4' energy: -103.857 flat angles P-C4'-P energy: -75.959 tors. eta vs tors. theta energy: -72.510 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: 10 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1293.898971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.898971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.898971 (E_RNA) where: Base-Base interactions energy: -848.904 where: short stacking energy: -365.253 Base-Backbone interact. energy: -1.039 local terms energy: -443.955910 where: bonds (distance) C4'-P energy: -87.081 bonds (distance) P-C4' energy: -86.415 flat angles C4'-P-C4' energy: -103.354 flat angles P-C4'-P energy: -73.204 tors. eta vs tors. theta energy: -93.903 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: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1046.693854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.693854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.693854 (E_RNA) where: Base-Base interactions energy: -662.404 where: short stacking energy: -310.254 Base-Backbone interact. energy: 3.191 local terms energy: -387.480180 where: bonds (distance) C4'-P energy: -94.152 bonds (distance) P-C4' energy: -99.005 flat angles C4'-P-C4' energy: -87.146 flat angles P-C4'-P energy: -53.424 tors. eta vs tors. theta energy: -53.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -678.637614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.637614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.637614 (E_RNA) where: Base-Base interactions energy: -381.842 where: short stacking energy: -173.570 Base-Backbone interact. energy: -1.153 local terms energy: -295.643157 where: bonds (distance) C4'-P energy: -74.961 bonds (distance) P-C4' energy: -86.625 flat angles C4'-P-C4' energy: -84.515 flat angles P-C4'-P energy: -55.359 tors. eta vs tors. theta energy: 5.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1861.468933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.468933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.468933 (E_RNA) where: Base-Base interactions energy: -1282.844 where: short stacking energy: -553.728 Base-Backbone interact. energy: -1.999 local terms energy: -576.625802 where: bonds (distance) C4'-P energy: -110.573 bonds (distance) P-C4' energy: -107.557 flat angles C4'-P-C4' energy: -116.018 flat angles P-C4'-P energy: -90.175 tors. eta vs tors. theta energy: -152.304 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: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1829.831114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.831114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.831114 (E_RNA) where: Base-Base interactions energy: -1239.054 where: short stacking energy: -496.349 Base-Backbone interact. energy: -6.416 local terms energy: -584.360927 where: bonds (distance) C4'-P energy: -118.173 bonds (distance) P-C4' energy: -108.283 flat angles C4'-P-C4' energy: -120.410 flat angles P-C4'-P energy: -78.719 tors. eta vs tors. theta energy: -158.776 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: 3, replica: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1709.568616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.568616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.568616 (E_RNA) where: Base-Base interactions energy: -1169.280 where: short stacking energy: -501.473 Base-Backbone interact. energy: 3.138 local terms energy: -543.426527 where: bonds (distance) C4'-P energy: -105.913 bonds (distance) P-C4' energy: -105.703 flat angles C4'-P-C4' energy: -111.271 flat angles P-C4'-P energy: -80.654 tors. eta vs tors. theta energy: -139.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1634.140730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.140730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.140730 (E_RNA) where: Base-Base interactions energy: -1107.929 where: short stacking energy: -466.854 Base-Backbone interact. energy: -1.882 local terms energy: -524.329949 where: bonds (distance) C4'-P energy: -109.403 bonds (distance) P-C4' energy: -103.235 flat angles C4'-P-C4' energy: -109.330 flat angles P-C4'-P energy: -70.210 tors. eta vs tors. theta energy: -132.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1581.035500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.035500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.035500 (E_RNA) where: Base-Base interactions energy: -1077.213 where: short stacking energy: -445.622 Base-Backbone interact. energy: -4.552 local terms energy: -499.270963 where: bonds (distance) C4'-P energy: -86.232 bonds (distance) P-C4' energy: -97.164 flat angles C4'-P-C4' energy: -119.867 flat angles P-C4'-P energy: -72.991 tors. eta vs tors. theta energy: -123.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1507.940559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.940559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.940559 (E_RNA) where: Base-Base interactions energy: -1009.428 where: short stacking energy: -415.773 Base-Backbone interact. energy: -0.022 local terms energy: -498.489772 where: bonds (distance) C4'-P energy: -94.825 bonds (distance) P-C4' energy: -103.007 flat angles C4'-P-C4' energy: -112.793 flat angles P-C4'-P energy: -78.521 tors. eta vs tors. theta energy: -109.344 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: 62 Temperature: 1.200000 Total energy: -1389.511102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.511102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.511102 (E_RNA) where: Base-Base interactions energy: -944.130 where: short stacking energy: -400.559 Base-Backbone interact. energy: 2.013 local terms energy: -447.393702 where: bonds (distance) C4'-P energy: -87.467 bonds (distance) P-C4' energy: -85.161 flat angles C4'-P-C4' energy: -102.825 flat angles P-C4'-P energy: -70.724 tors. eta vs tors. theta energy: -101.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1261.017818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.017818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.017818 (E_RNA) where: Base-Base interactions energy: -834.519 where: short stacking energy: -374.836 Base-Backbone interact. energy: 1.730 local terms energy: -428.228547 where: bonds (distance) C4'-P energy: -99.120 bonds (distance) P-C4' energy: -96.325 flat angles C4'-P-C4' energy: -93.200 flat angles P-C4'-P energy: -53.418 tors. eta vs tors. theta energy: -86.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1000.494342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.494342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.494342 (E_RNA) where: Base-Base interactions energy: -609.088 where: short stacking energy: -264.430 Base-Backbone interact. energy: -2.395 local terms energy: -389.012025 where: bonds (distance) C4'-P energy: -94.308 bonds (distance) P-C4' energy: -83.454 flat angles C4'-P-C4' energy: -105.302 flat angles P-C4'-P energy: -59.397 tors. eta vs tors. theta energy: -46.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -728.660426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.660426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.660426 (E_RNA) where: Base-Base interactions energy: -394.356 where: short stacking energy: -217.970 Base-Backbone interact. energy: -2.513 local terms energy: -331.791705 where: bonds (distance) C4'-P energy: -71.878 bonds (distance) P-C4' energy: -98.378 flat angles C4'-P-C4' energy: -88.485 flat angles P-C4'-P energy: -58.364 tors. eta vs tors. theta energy: -14.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1872.520076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.520076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.520076 (E_RNA) where: Base-Base interactions energy: -1286.656 where: short stacking energy: -522.318 Base-Backbone interact. energy: -4.846 local terms energy: -581.018661 where: bonds (distance) C4'-P energy: -110.474 bonds (distance) P-C4' energy: -117.580 flat angles C4'-P-C4' energy: -128.179 flat angles P-C4'-P energy: -76.324 tors. eta vs tors. theta energy: -148.462 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: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1835.681761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.681761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.681761 (E_RNA) where: Base-Base interactions energy: -1254.264 where: short stacking energy: -519.184 Base-Backbone interact. energy: -2.182 local terms energy: -579.235889 where: bonds (distance) C4'-P energy: -110.290 bonds (distance) P-C4' energy: -108.849 flat angles C4'-P-C4' energy: -112.004 flat angles P-C4'-P energy: -88.964 tors. eta vs tors. theta energy: -159.129 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: 63 Temperature: 1.000000 Total energy: -1739.750643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.750643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.750643 (E_RNA) where: Base-Base interactions energy: -1208.173 where: short stacking energy: -490.187 Base-Backbone interact. energy: -3.852 local terms energy: -527.725352 where: bonds (distance) C4'-P energy: -101.152 bonds (distance) P-C4' energy: -96.555 flat angles C4'-P-C4' energy: -116.652 flat angles P-C4'-P energy: -70.402 tors. eta vs tors. theta energy: -142.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1625.489999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.489999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.489999 (E_RNA) where: Base-Base interactions energy: -1094.489 where: short stacking energy: -479.153 Base-Backbone interact. energy: -2.910 local terms energy: -528.090898 where: bonds (distance) C4'-P energy: -97.291 bonds (distance) P-C4' energy: -98.822 flat angles C4'-P-C4' energy: -121.806 flat angles P-C4'-P energy: -67.811 tors. eta vs tors. theta energy: -142.362 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: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1587.398457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.398457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.398457 (E_RNA) where: Base-Base interactions energy: -1083.463 where: short stacking energy: -465.648 Base-Backbone interact. energy: -0.342 local terms energy: -503.593449 where: bonds (distance) C4'-P energy: -92.398 bonds (distance) P-C4' energy: -91.414 flat angles C4'-P-C4' energy: -118.756 flat angles P-C4'-P energy: -77.942 tors. eta vs tors. theta energy: -123.083 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: 63 Temperature: 1.150000 Total energy: -1463.903145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.903145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.903145 (E_RNA) where: Base-Base interactions energy: -996.407 where: short stacking energy: -407.197 Base-Backbone interact. energy: -2.478 local terms energy: -465.017492 where: bonds (distance) C4'-P energy: -97.839 bonds (distance) P-C4' energy: -106.881 flat angles C4'-P-C4' energy: -100.543 flat angles P-C4'-P energy: -60.283 tors. eta vs tors. theta energy: -99.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1310.110217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.110217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.110217 (E_RNA) where: Base-Base interactions energy: -891.161 where: short stacking energy: -367.213 Base-Backbone interact. energy: 0.464 local terms energy: -419.413549 where: bonds (distance) C4'-P energy: -76.473 bonds (distance) P-C4' energy: -94.136 flat angles C4'-P-C4' energy: -99.714 flat angles P-C4'-P energy: -59.953 tors. eta vs tors. theta energy: -89.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1204.394597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.394597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.394597 (E_RNA) where: Base-Base interactions energy: -775.521 where: short stacking energy: -330.453 Base-Backbone interact. energy: -0.885 local terms energy: -427.989532 where: bonds (distance) C4'-P energy: -88.451 bonds (distance) P-C4' energy: -105.647 flat angles C4'-P-C4' energy: -98.788 flat angles P-C4'-P energy: -52.410 tors. eta vs tors. theta energy: -82.694 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: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -979.902985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.902985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.902985 (E_RNA) where: Base-Base interactions energy: -628.690 where: short stacking energy: -271.251 Base-Backbone interact. energy: -0.906 local terms energy: -350.307063 where: bonds (distance) C4'-P energy: -78.880 bonds (distance) P-C4' energy: -92.082 flat angles C4'-P-C4' energy: -76.566 flat angles P-C4'-P energy: -49.805 tors. eta vs tors. theta energy: -52.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -690.263632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.263632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.263632 (E_RNA) where: Base-Base interactions energy: -393.566 where: short stacking energy: -198.470 Base-Backbone interact. energy: 4.473 local terms energy: -301.170261 where: bonds (distance) C4'-P energy: -78.755 bonds (distance) P-C4' energy: -88.149 flat angles C4'-P-C4' energy: -81.516 flat angles P-C4'-P energy: -58.721 tors. eta vs tors. theta energy: 5.971 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: 3 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1850.169550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.169550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.169550 (E_RNA) where: Base-Base interactions energy: -1290.992 where: short stacking energy: -545.999 Base-Backbone interact. energy: -2.648 local terms energy: -556.529333 where: bonds (distance) C4'-P energy: -99.469 bonds (distance) P-C4' energy: -102.969 flat angles C4'-P-C4' energy: -125.213 flat angles P-C4'-P energy: -77.916 tors. eta vs tors. theta energy: -150.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1834.961631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.961631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.961631 (E_RNA) where: Base-Base interactions energy: -1267.673 where: short stacking energy: -531.356 Base-Backbone interact. energy: 0.575 local terms energy: -567.863712 where: bonds (distance) C4'-P energy: -114.273 bonds (distance) P-C4' energy: -97.424 flat angles C4'-P-C4' energy: -119.719 flat angles P-C4'-P energy: -82.253 tors. eta vs tors. theta energy: -154.194 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: 64 Temperature: 1.000000 Total energy: -1694.443249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.443249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.443249 (E_RNA) where: Base-Base interactions energy: -1152.513 where: short stacking energy: -473.657 Base-Backbone interact. energy: -2.899 local terms energy: -539.032152 where: bonds (distance) C4'-P energy: -101.209 bonds (distance) P-C4' energy: -118.948 flat angles C4'-P-C4' energy: -122.015 flat angles P-C4'-P energy: -62.601 tors. eta vs tors. theta energy: -134.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1586.956763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.956763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.956763 (E_RNA) where: Base-Base interactions energy: -1084.692 where: short stacking energy: -463.393 Base-Backbone interact. energy: -1.648 local terms energy: -500.615933 where: bonds (distance) C4'-P energy: -93.456 bonds (distance) P-C4' energy: -94.299 flat angles C4'-P-C4' energy: -110.061 flat angles P-C4'-P energy: -77.038 tors. eta vs tors. theta energy: -125.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1554.589902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.589902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.589902 (E_RNA) where: Base-Base interactions energy: -1053.445 where: short stacking energy: -450.786 Base-Backbone interact. energy: -1.088 local terms energy: -500.057505 where: bonds (distance) C4'-P energy: -112.031 bonds (distance) P-C4' energy: -97.114 flat angles C4'-P-C4' energy: -108.249 flat angles P-C4'-P energy: -61.695 tors. eta vs tors. theta energy: -120.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1468.085437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.085437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.085437 (E_RNA) where: Base-Base interactions energy: -985.039 where: short stacking energy: -427.453 Base-Backbone interact. energy: 0.208 local terms energy: -483.254093 where: bonds (distance) C4'-P energy: -90.665 bonds (distance) P-C4' energy: -102.475 flat angles C4'-P-C4' energy: -103.936 flat angles P-C4'-P energy: -65.961 tors. eta vs tors. theta energy: -120.216 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: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1343.736989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.736989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.736989 (E_RNA) where: Base-Base interactions energy: -883.298 where: short stacking energy: -371.414 Base-Backbone interact. energy: 3.190 local terms energy: -463.629368 where: bonds (distance) C4'-P energy: -96.971 bonds (distance) P-C4' energy: -105.501 flat angles C4'-P-C4' energy: -101.470 flat angles P-C4'-P energy: -70.072 tors. eta vs tors. theta energy: -89.616 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: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1171.619854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.619854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.619854 (E_RNA) where: Base-Base interactions energy: -772.487 where: short stacking energy: -291.543 Base-Backbone interact. energy: 1.218 local terms energy: -400.351103 where: bonds (distance) C4'-P energy: -99.917 bonds (distance) P-C4' energy: -95.960 flat angles C4'-P-C4' energy: -96.084 flat angles P-C4'-P energy: -57.269 tors. eta vs tors. theta energy: -51.121 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: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1005.599028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.599028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.599028 (E_RNA) where: Base-Base interactions energy: -652.274 where: short stacking energy: -308.679 Base-Backbone interact. energy: -1.266 local terms energy: -352.059044 where: bonds (distance) C4'-P energy: -91.914 bonds (distance) P-C4' energy: -80.408 flat angles C4'-P-C4' energy: -67.495 flat angles P-C4'-P energy: -38.678 tors. eta vs tors. theta energy: -73.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -698.581739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.581739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.581739 (E_RNA) where: Base-Base interactions energy: -346.888 where: short stacking energy: -181.756 Base-Backbone interact. energy: 0.260 local terms energy: -351.954251 where: bonds (distance) C4'-P energy: -80.988 bonds (distance) P-C4' energy: -101.144 flat angles C4'-P-C4' energy: -96.530 flat angles P-C4'-P energy: -50.898 tors. eta vs tors. theta energy: -22.394 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: 65 Temperature: 0.900000 Total energy: -1861.673411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.673411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.673411 (E_RNA) where: Base-Base interactions energy: -1290.804 where: short stacking energy: -543.511 Base-Backbone interact. energy: -3.908 local terms energy: -566.960760 where: bonds (distance) C4'-P energy: -111.211 bonds (distance) P-C4' energy: -112.822 flat angles C4'-P-C4' energy: -124.467 flat angles P-C4'-P energy: -80.003 tors. eta vs tors. theta energy: -138.458 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: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1821.848944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.848944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.848944 (E_RNA) where: Base-Base interactions energy: -1233.717 where: short stacking energy: -515.204 Base-Backbone interact. energy: -2.457 local terms energy: -585.674255 where: bonds (distance) C4'-P energy: -105.721 bonds (distance) P-C4' energy: -118.059 flat angles C4'-P-C4' energy: -117.235 flat angles P-C4'-P energy: -90.305 tors. eta vs tors. theta energy: -154.354 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: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1703.583567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.583567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.583567 (E_RNA) where: Base-Base interactions energy: -1139.294 where: short stacking energy: -485.730 Base-Backbone interact. energy: -0.762 local terms energy: -563.527614 where: bonds (distance) C4'-P energy: -99.857 bonds (distance) P-C4' energy: -113.880 flat angles C4'-P-C4' energy: -129.340 flat angles P-C4'-P energy: -73.117 tors. eta vs tors. theta energy: -147.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1580.394339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.394339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.394339 (E_RNA) where: Base-Base interactions energy: -1079.764 where: short stacking energy: -449.298 Base-Backbone interact. energy: 2.387 local terms energy: -503.017434 where: bonds (distance) C4'-P energy: -98.956 bonds (distance) P-C4' energy: -88.285 flat angles C4'-P-C4' energy: -114.590 flat angles P-C4'-P energy: -84.914 tors. eta vs tors. theta energy: -116.273 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: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1532.683115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.683115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.683115 (E_RNA) where: Base-Base interactions energy: -1054.322 where: short stacking energy: -461.101 Base-Backbone interact. energy: -0.433 local terms energy: -477.927865 where: bonds (distance) C4'-P energy: -96.144 bonds (distance) P-C4' energy: -90.787 flat angles C4'-P-C4' energy: -118.086 flat angles P-C4'-P energy: -55.355 tors. eta vs tors. theta energy: -117.556 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: 65 Temperature: 1.150000 Total energy: -1478.109756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.109756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.109756 (E_RNA) where: Base-Base interactions energy: -997.563 where: short stacking energy: -410.865 Base-Backbone interact. energy: -1.146 local terms energy: -479.400901 where: bonds (distance) C4'-P energy: -94.238 bonds (distance) P-C4' energy: -91.746 flat angles C4'-P-C4' energy: -104.751 flat angles P-C4'-P energy: -69.048 tors. eta vs tors. theta energy: -119.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1351.988894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.988894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.988894 (E_RNA) where: Base-Base interactions energy: -891.181 where: short stacking energy: -392.748 Base-Backbone interact. energy: -0.644 local terms energy: -460.164037 where: bonds (distance) C4'-P energy: -105.054 bonds (distance) P-C4' energy: -80.191 flat angles C4'-P-C4' energy: -109.099 flat angles P-C4'-P energy: -64.635 tors. eta vs tors. theta energy: -101.185 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: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1189.267017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.267017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.267017 (E_RNA) where: Base-Base interactions energy: -811.730 where: short stacking energy: -322.882 Base-Backbone interact. energy: -2.700 local terms energy: -374.837192 where: bonds (distance) C4'-P energy: -83.268 bonds (distance) P-C4' energy: -75.564 flat angles C4'-P-C4' energy: -86.405 flat angles P-C4'-P energy: -58.218 tors. eta vs tors. theta energy: -71.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -981.469159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.469159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.469159 (E_RNA) where: Base-Base interactions energy: -621.574 where: short stacking energy: -275.831 Base-Backbone interact. energy: -3.475 local terms energy: -356.420158 where: bonds (distance) C4'-P energy: -91.897 bonds (distance) P-C4' energy: -88.665 flat angles C4'-P-C4' energy: -87.728 flat angles P-C4'-P energy: -43.225 tors. eta vs tors. theta energy: -44.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -725.945610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.945610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.945610 (E_RNA) where: Base-Base interactions energy: -393.688 where: short stacking energy: -176.543 Base-Backbone interact. energy: -2.264 local terms energy: -329.993834 where: bonds (distance) C4'-P energy: -83.228 bonds (distance) P-C4' energy: -106.095 flat angles C4'-P-C4' energy: -92.728 flat angles P-C4'-P energy: -49.187 tors. eta vs tors. theta energy: 1.244 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: 66 Temperature: 0.900000 Total energy: -1848.773600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.773600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.773600 (E_RNA) where: Base-Base interactions energy: -1261.576 where: short stacking energy: -527.070 Base-Backbone interact. energy: -3.643 local terms energy: -583.554385 where: bonds (distance) C4'-P energy: -115.816 bonds (distance) P-C4' energy: -113.444 flat angles C4'-P-C4' energy: -123.522 flat angles P-C4'-P energy: -80.576 tors. eta vs tors. theta energy: -150.196 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: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1835.149177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.149177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.149177 (E_RNA) where: Base-Base interactions energy: -1261.828 where: short stacking energy: -512.109 Base-Backbone interact. energy: -5.283 local terms energy: -568.038275 where: bonds (distance) C4'-P energy: -109.766 bonds (distance) P-C4' energy: -104.566 flat angles C4'-P-C4' energy: -117.483 flat angles P-C4'-P energy: -88.754 tors. eta vs tors. theta energy: -147.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1700.299555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.299555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.299555 (E_RNA) where: Base-Base interactions energy: -1170.939 where: short stacking energy: -485.489 Base-Backbone interact. energy: -3.102 local terms energy: -526.258794 where: bonds (distance) C4'-P energy: -94.130 bonds (distance) P-C4' energy: -93.990 flat angles C4'-P-C4' energy: -118.143 flat angles P-C4'-P energy: -83.831 tors. eta vs tors. theta energy: -136.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1569.336328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.336328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.336328 (E_RNA) where: Base-Base interactions energy: -1049.485 where: short stacking energy: -460.566 Base-Backbone interact. energy: -2.606 local terms energy: -517.244821 where: bonds (distance) C4'-P energy: -105.426 bonds (distance) P-C4' energy: -89.765 flat angles C4'-P-C4' energy: -120.649 flat angles P-C4'-P energy: -75.730 tors. eta vs tors. theta energy: -125.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1574.283660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.283660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.283660 (E_RNA) where: Base-Base interactions energy: -1084.431 where: short stacking energy: -423.669 Base-Backbone interact. energy: -5.644 local terms energy: -484.208141 where: bonds (distance) C4'-P energy: -99.270 bonds (distance) P-C4' energy: -96.800 flat angles C4'-P-C4' energy: -106.823 flat angles P-C4'-P energy: -66.952 tors. eta vs tors. theta energy: -114.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1464.616727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.616727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.616727 (E_RNA) where: Base-Base interactions energy: -980.262 where: short stacking energy: -397.309 Base-Backbone interact. energy: -2.639 local terms energy: -481.715898 where: bonds (distance) C4'-P energy: -92.705 bonds (distance) P-C4' energy: -108.612 flat angles C4'-P-C4' energy: -109.703 flat angles P-C4'-P energy: -65.342 tors. eta vs tors. theta energy: -105.354 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: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1353.611374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.611374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.611374 (E_RNA) where: Base-Base interactions energy: -884.692 where: short stacking energy: -380.465 Base-Backbone interact. energy: -1.419 local terms energy: -467.499838 where: bonds (distance) C4'-P energy: -104.120 bonds (distance) P-C4' energy: -93.529 flat angles C4'-P-C4' energy: -110.765 flat angles P-C4'-P energy: -61.195 tors. eta vs tors. theta energy: -97.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1224.871400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.871400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.871400 (E_RNA) where: Base-Base interactions energy: -819.898 where: short stacking energy: -340.956 Base-Backbone interact. energy: -1.630 local terms energy: -403.343486 where: bonds (distance) C4'-P energy: -85.821 bonds (distance) P-C4' energy: -85.184 flat angles C4'-P-C4' energy: -108.421 flat angles P-C4'-P energy: -54.025 tors. eta vs tors. theta energy: -69.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1047.294889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.294889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.294889 (E_RNA) where: Base-Base interactions energy: -652.287 where: short stacking energy: -305.723 Base-Backbone interact. energy: -1.284 local terms energy: -393.724027 where: bonds (distance) C4'-P energy: -80.838 bonds (distance) P-C4' energy: -99.488 flat angles C4'-P-C4' energy: -83.087 flat angles P-C4'-P energy: -67.081 tors. eta vs tors. theta energy: -63.230 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: 8 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -753.631941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.631941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.631941 (E_RNA) where: Base-Base interactions energy: -453.752 where: short stacking energy: -198.286 Base-Backbone interact. energy: 2.565 local terms energy: -302.444226 where: bonds (distance) C4'-P energy: -78.261 bonds (distance) P-C4' energy: -77.741 flat angles C4'-P-C4' energy: -89.095 flat angles P-C4'-P energy: -53.375 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1841.024599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.024599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.024599 (E_RNA) where: Base-Base interactions energy: -1274.848 where: short stacking energy: -556.630 Base-Backbone interact. energy: -2.196 local terms energy: -563.981465 where: bonds (distance) C4'-P energy: -104.870 bonds (distance) P-C4' energy: -105.222 flat angles C4'-P-C4' energy: -120.601 flat angles P-C4'-P energy: -72.810 tors. eta vs tors. theta energy: -160.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1805.625535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.625535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.625535 (E_RNA) where: Base-Base interactions energy: -1265.780 where: short stacking energy: -518.013 Base-Backbone interact. energy: -3.175 local terms energy: -536.670026 where: bonds (distance) C4'-P energy: -101.880 bonds (distance) P-C4' energy: -110.277 flat angles C4'-P-C4' energy: -122.870 flat angles P-C4'-P energy: -72.786 tors. eta vs tors. theta energy: -128.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1725.760635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.760635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.760635 (E_RNA) where: Base-Base interactions energy: -1186.031 where: short stacking energy: -503.172 Base-Backbone interact. energy: 1.495 local terms energy: -541.224279 where: bonds (distance) C4'-P energy: -110.973 bonds (distance) P-C4' energy: -110.648 flat angles C4'-P-C4' energy: -106.691 flat angles P-C4'-P energy: -66.939 tors. eta vs tors. theta energy: -145.974 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: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1598.146719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.146719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.146719 (E_RNA) where: Base-Base interactions energy: -1103.389 where: short stacking energy: -445.370 Base-Backbone interact. energy: -0.247 local terms energy: -494.510551 where: bonds (distance) C4'-P energy: -97.041 bonds (distance) P-C4' energy: -104.071 flat angles C4'-P-C4' energy: -114.683 flat angles P-C4'-P energy: -64.833 tors. eta vs tors. theta energy: -113.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1533.930200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.930200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.930200 (E_RNA) where: Base-Base interactions energy: -1049.213 where: short stacking energy: -448.288 Base-Backbone interact. energy: -2.266 local terms energy: -482.450685 where: bonds (distance) C4'-P energy: -91.609 bonds (distance) P-C4' energy: -92.718 flat angles C4'-P-C4' energy: -106.270 flat angles P-C4'-P energy: -72.375 tors. eta vs tors. theta energy: -119.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1503.953215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.953215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.953215 (E_RNA) where: Base-Base interactions energy: -1022.465 where: short stacking energy: -426.859 Base-Backbone interact. energy: -2.097 local terms energy: -479.392015 where: bonds (distance) C4'-P energy: -88.958 bonds (distance) P-C4' energy: -97.511 flat angles C4'-P-C4' energy: -108.192 flat angles P-C4'-P energy: -56.270 tors. eta vs tors. theta energy: -128.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1326.867277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.867277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.867277 (E_RNA) where: Base-Base interactions energy: -882.324 where: short stacking energy: -355.890 Base-Backbone interact. energy: -0.608 local terms energy: -443.935078 where: bonds (distance) C4'-P energy: -97.283 bonds (distance) P-C4' energy: -94.584 flat angles C4'-P-C4' energy: -103.635 flat angles P-C4'-P energy: -72.980 tors. eta vs tors. theta energy: -75.452 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: 8, replica: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1232.627098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.627098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.627098 (E_RNA) where: Base-Base interactions energy: -824.454 where: short stacking energy: -364.427 Base-Backbone interact. energy: -2.252 local terms energy: -405.921062 where: bonds (distance) C4'-P energy: -98.612 bonds (distance) P-C4' energy: -95.832 flat angles C4'-P-C4' energy: -98.494 flat angles P-C4'-P energy: -45.250 tors. eta vs tors. theta energy: -67.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1009.556127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.556127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.556127 (E_RNA) where: Base-Base interactions energy: -636.653 where: short stacking energy: -260.196 Base-Backbone interact. energy: -0.879 local terms energy: -372.024696 where: bonds (distance) C4'-P energy: -98.966 bonds (distance) P-C4' energy: -94.555 flat angles C4'-P-C4' energy: -84.287 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: -37.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -751.004874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.004874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.004874 (E_RNA) where: Base-Base interactions energy: -412.904 where: short stacking energy: -209.168 Base-Backbone interact. energy: -2.511 local terms energy: -335.590274 where: bonds (distance) C4'-P energy: -101.706 bonds (distance) P-C4' energy: -93.856 flat angles C4'-P-C4' energy: -70.924 flat angles P-C4'-P energy: -51.516 tors. eta vs tors. theta energy: -17.589 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: 68 Temperature: 0.900000 Total energy: -1861.278177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.278177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.278177 (E_RNA) where: Base-Base interactions energy: -1287.335 where: short stacking energy: -538.240 Base-Backbone interact. energy: -2.715 local terms energy: -571.227511 where: bonds (distance) C4'-P energy: -103.099 bonds (distance) P-C4' energy: -108.010 flat angles C4'-P-C4' energy: -119.244 flat angles P-C4'-P energy: -83.177 tors. eta vs tors. theta energy: -157.697 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: 1 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1833.892634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.892634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.892634 (E_RNA) where: Base-Base interactions energy: -1257.165 where: short stacking energy: -520.026 Base-Backbone interact. energy: -2.720 local terms energy: -574.007734 where: bonds (distance) C4'-P energy: -108.967 bonds (distance) P-C4' energy: -102.071 flat angles C4'-P-C4' energy: -124.831 flat angles P-C4'-P energy: -75.112 tors. eta vs tors. theta energy: -163.025 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: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1728.700905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.700905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.700905 (E_RNA) where: Base-Base interactions energy: -1171.365 where: short stacking energy: -480.948 Base-Backbone interact. energy: -4.138 local terms energy: -553.198712 where: bonds (distance) C4'-P energy: -110.111 bonds (distance) P-C4' energy: -105.599 flat angles C4'-P-C4' energy: -120.371 flat angles P-C4'-P energy: -84.615 tors. eta vs tors. theta energy: -132.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1569.483648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.483648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.483648 (E_RNA) where: Base-Base interactions energy: -1064.942 where: short stacking energy: -430.621 Base-Backbone interact. energy: 0.089 local terms energy: -504.630559 where: bonds (distance) C4'-P energy: -92.979 bonds (distance) P-C4' energy: -95.464 flat angles C4'-P-C4' energy: -117.679 flat angles P-C4'-P energy: -78.912 tors. eta vs tors. theta energy: -119.596 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: 5 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1566.462004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.462004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.462004 (E_RNA) where: Base-Base interactions energy: -1056.509 where: short stacking energy: -453.817 Base-Backbone interact. energy: -1.639 local terms energy: -508.314385 where: bonds (distance) C4'-P energy: -106.643 bonds (distance) P-C4' energy: -100.627 flat angles C4'-P-C4' energy: -110.666 flat angles P-C4'-P energy: -76.785 tors. eta vs tors. theta energy: -113.593 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: 6, replica: 2 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1465.178243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.178243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.178243 (E_RNA) where: Base-Base interactions energy: -995.837 where: short stacking energy: -428.982 Base-Backbone interact. energy: -2.638 local terms energy: -466.703317 where: bonds (distance) C4'-P energy: -100.504 bonds (distance) P-C4' energy: -88.590 flat angles C4'-P-C4' energy: -100.121 flat angles P-C4'-P energy: -66.174 tors. eta vs tors. theta energy: -111.314 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: 7 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1407.773362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.773362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.773362 (E_RNA) where: Base-Base interactions energy: -951.900 where: short stacking energy: -412.317 Base-Backbone interact. energy: -2.218 local terms energy: -453.655225 where: bonds (distance) C4'-P energy: -91.510 bonds (distance) P-C4' energy: -84.261 flat angles C4'-P-C4' energy: -114.100 flat angles P-C4'-P energy: -63.340 tors. eta vs tors. theta energy: -100.444 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: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1250.376815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.376815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.376815 (E_RNA) where: Base-Base interactions energy: -873.300 where: short stacking energy: -362.583 Base-Backbone interact. energy: 1.246 local terms energy: -378.322862 where: bonds (distance) C4'-P energy: -72.687 bonds (distance) P-C4' energy: -71.983 flat angles C4'-P-C4' energy: -93.094 flat angles P-C4'-P energy: -52.433 tors. eta vs tors. theta energy: -88.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1001.192056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.192056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.192056 (E_RNA) where: Base-Base interactions energy: -654.054 where: short stacking energy: -284.884 Base-Backbone interact. energy: -0.781 local terms energy: -346.357753 where: bonds (distance) C4'-P energy: -96.648 bonds (distance) P-C4' energy: -82.379 flat angles C4'-P-C4' energy: -68.958 flat angles P-C4'-P energy: -41.721 tors. eta vs tors. theta energy: -56.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -728.254344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.254344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.254344 (E_RNA) where: Base-Base interactions energy: -412.743 where: short stacking energy: -220.146 Base-Backbone interact. energy: 0.140 local terms energy: -315.652095 where: bonds (distance) C4'-P energy: -75.228 bonds (distance) P-C4' energy: -84.791 flat angles C4'-P-C4' energy: -76.989 flat angles P-C4'-P energy: -47.746 tors. eta vs tors. theta energy: -30.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1871.418719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.418719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.418719 (E_RNA) where: Base-Base interactions energy: -1285.003 where: short stacking energy: -536.861 Base-Backbone interact. energy: -2.753 local terms energy: -583.662932 where: bonds (distance) C4'-P energy: -105.770 bonds (distance) P-C4' energy: -119.441 flat angles C4'-P-C4' energy: -123.106 flat angles P-C4'-P energy: -80.864 tors. eta vs tors. theta energy: -154.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1829.195890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.195890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.195890 (E_RNA) where: Base-Base interactions energy: -1262.270 where: short stacking energy: -520.883 Base-Backbone interact. energy: -2.448 local terms energy: -564.478455 where: bonds (distance) C4'-P energy: -107.528 bonds (distance) P-C4' energy: -107.992 flat angles C4'-P-C4' energy: -122.141 flat angles P-C4'-P energy: -78.184 tors. eta vs tors. theta energy: -148.634 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: 69 Temperature: 1.000000 Total energy: -1723.989498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.989498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.989498 (E_RNA) where: Base-Base interactions energy: -1174.598 where: short stacking energy: -484.559 Base-Backbone interact. energy: -1.809 local terms energy: -547.581706 where: bonds (distance) C4'-P energy: -95.077 bonds (distance) P-C4' energy: -97.927 flat angles C4'-P-C4' energy: -122.929 flat angles P-C4'-P energy: -85.498 tors. eta vs tors. theta energy: -146.151 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: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1610.915593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.915593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.915593 (E_RNA) where: Base-Base interactions energy: -1067.539 where: short stacking energy: -453.904 Base-Backbone interact. energy: -4.821 local terms energy: -538.555697 where: bonds (distance) C4'-P energy: -104.224 bonds (distance) P-C4' energy: -109.684 flat angles C4'-P-C4' energy: -114.301 flat angles P-C4'-P energy: -88.846 tors. eta vs tors. theta energy: -121.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1582.765536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.765536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.765536 (E_RNA) where: Base-Base interactions energy: -1061.876 where: short stacking energy: -454.508 Base-Backbone interact. energy: -4.499 local terms energy: -516.390581 where: bonds (distance) C4'-P energy: -97.721 bonds (distance) P-C4' energy: -110.763 flat angles C4'-P-C4' energy: -107.554 flat angles P-C4'-P energy: -78.247 tors. eta vs tors. theta energy: -122.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1465.804177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.804177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.804177 (E_RNA) where: Base-Base interactions energy: -989.076 where: short stacking energy: -451.276 Base-Backbone interact. energy: 6.973 local terms energy: -483.701375 where: bonds (distance) C4'-P energy: -104.780 bonds (distance) P-C4' energy: -78.318 flat angles C4'-P-C4' energy: -115.913 flat angles P-C4'-P energy: -68.870 tors. eta vs tors. theta energy: -115.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1405.597209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.597209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.597209 (E_RNA) where: Base-Base interactions energy: -928.611 where: short stacking energy: -422.543 Base-Backbone interact. energy: -2.038 local terms energy: -474.948357 where: bonds (distance) C4'-P energy: -92.891 bonds (distance) P-C4' energy: -91.714 flat angles C4'-P-C4' energy: -109.897 flat angles P-C4'-P energy: -67.817 tors. eta vs tors. theta energy: -112.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1223.544920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.544920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.544920 (E_RNA) where: Base-Base interactions energy: -836.939 where: short stacking energy: -367.382 Base-Backbone interact. energy: 3.886 local terms energy: -390.492295 where: bonds (distance) C4'-P energy: -89.407 bonds (distance) P-C4' energy: -79.644 flat angles C4'-P-C4' energy: -101.335 flat angles P-C4'-P energy: -52.333 tors. eta vs tors. theta energy: -67.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -965.755392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.755392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.755392 (E_RNA) where: Base-Base interactions energy: -613.111 where: short stacking energy: -284.714 Base-Backbone interact. energy: -2.290 local terms energy: -350.353899 where: bonds (distance) C4'-P energy: -72.340 bonds (distance) P-C4' energy: -93.547 flat angles C4'-P-C4' energy: -90.777 flat angles P-C4'-P energy: -48.015 tors. eta vs tors. theta energy: -45.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -756.304369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.304369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.304369 (E_RNA) where: Base-Base interactions energy: -446.369 where: short stacking energy: -211.007 Base-Backbone interact. energy: -0.156 local terms energy: -309.779651 where: bonds (distance) C4'-P energy: -66.373 bonds (distance) P-C4' energy: -87.050 flat angles C4'-P-C4' energy: -82.348 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -23.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1865.164596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.164596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.164596 (E_RNA) where: Base-Base interactions energy: -1282.991 where: short stacking energy: -520.670 Base-Backbone interact. energy: -1.773 local terms energy: -580.400792 where: bonds (distance) C4'-P energy: -111.178 bonds (distance) P-C4' energy: -103.175 flat angles C4'-P-C4' energy: -122.732 flat angles P-C4'-P energy: -83.645 tors. eta vs tors. theta energy: -159.671 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: 70 Temperature: 0.950000 Total energy: -1819.930743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.930743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.930743 (E_RNA) where: Base-Base interactions energy: -1253.536 where: short stacking energy: -516.022 Base-Backbone interact. energy: -5.473 local terms energy: -560.922039 where: bonds (distance) C4'-P energy: -92.635 bonds (distance) P-C4' energy: -109.666 flat angles C4'-P-C4' energy: -127.191 flat angles P-C4'-P energy: -86.381 tors. eta vs tors. theta energy: -145.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1711.978483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.978483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.978483 (E_RNA) where: Base-Base interactions energy: -1166.909 where: short stacking energy: -499.028 Base-Backbone interact. energy: -3.300 local terms energy: -541.769422 where: bonds (distance) C4'-P energy: -114.429 bonds (distance) P-C4' energy: -98.432 flat angles C4'-P-C4' energy: -109.628 flat angles P-C4'-P energy: -74.915 tors. eta vs tors. theta energy: -144.366 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: 6 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1590.809620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.809620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.809620 (E_RNA) where: Base-Base interactions energy: -1064.914 where: short stacking energy: -441.869 Base-Backbone interact. energy: -1.652 local terms energy: -524.243717 where: bonds (distance) C4'-P energy: -106.561 bonds (distance) P-C4' energy: -102.532 flat angles C4'-P-C4' energy: -123.171 flat angles P-C4'-P energy: -75.516 tors. eta vs tors. theta energy: -116.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1587.697144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.697144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.697144 (E_RNA) where: Base-Base interactions energy: -1081.095 where: short stacking energy: -469.210 Base-Backbone interact. energy: -0.946 local terms energy: -505.656525 where: bonds (distance) C4'-P energy: -91.231 bonds (distance) P-C4' energy: -100.732 flat angles C4'-P-C4' energy: -111.650 flat angles P-C4'-P energy: -64.092 tors. eta vs tors. theta energy: -137.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1455.165759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.165759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.165759 (E_RNA) where: Base-Base interactions energy: -994.697 where: short stacking energy: -412.845 Base-Backbone interact. energy: -0.941 local terms energy: -459.527411 where: bonds (distance) C4'-P energy: -90.450 bonds (distance) P-C4' energy: -77.184 flat angles C4'-P-C4' energy: -113.429 flat angles P-C4'-P energy: -72.158 tors. eta vs tors. theta energy: -106.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1457.496068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.496068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.496068 (E_RNA) where: Base-Base interactions energy: -984.473 where: short stacking energy: -400.264 Base-Backbone interact. energy: -0.488 local terms energy: -472.535033 where: bonds (distance) C4'-P energy: -96.828 bonds (distance) P-C4' energy: -102.912 flat angles C4'-P-C4' energy: -105.079 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -108.934 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: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1204.972180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.972180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.972180 (E_RNA) where: Base-Base interactions energy: -819.870 where: short stacking energy: -323.154 Base-Backbone interact. energy: -2.731 local terms energy: -382.371157 where: bonds (distance) C4'-P energy: -82.152 bonds (distance) P-C4' energy: -90.600 flat angles C4'-P-C4' energy: -102.845 flat angles P-C4'-P energy: -46.943 tors. eta vs tors. theta energy: -59.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1012.293323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.293323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.293323 (E_RNA) where: Base-Base interactions energy: -638.222 where: short stacking energy: -266.929 Base-Backbone interact. energy: 0.846 local terms energy: -374.917456 where: bonds (distance) C4'-P energy: -70.576 bonds (distance) P-C4' energy: -106.790 flat angles C4'-P-C4' energy: -95.036 flat angles P-C4'-P energy: -50.679 tors. eta vs tors. theta energy: -51.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -760.555796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.555796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.555796 (E_RNA) where: Base-Base interactions energy: -429.803 where: short stacking energy: -207.350 Base-Backbone interact. energy: 0.500 local terms energy: -331.252598 where: bonds (distance) C4'-P energy: -91.214 bonds (distance) P-C4' energy: -86.565 flat angles C4'-P-C4' energy: -85.899 flat angles P-C4'-P energy: -49.836 tors. eta vs tors. theta energy: -17.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1863.868681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.868681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.868681 (E_RNA) where: Base-Base interactions energy: -1279.969 where: short stacking energy: -528.457 Base-Backbone interact. energy: -4.050 local terms energy: -579.849599 where: bonds (distance) C4'-P energy: -110.999 bonds (distance) P-C4' energy: -114.180 flat angles C4'-P-C4' energy: -125.615 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: -153.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1831.459534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.459534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.459534 (E_RNA) where: Base-Base interactions energy: -1292.523 where: short stacking energy: -527.236 Base-Backbone interact. energy: -5.911 local terms energy: -533.026066 where: bonds (distance) C4'-P energy: -84.844 bonds (distance) P-C4' energy: -105.098 flat angles C4'-P-C4' energy: -123.553 flat angles P-C4'-P energy: -71.351 tors. eta vs tors. theta energy: -148.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1757.201532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.201532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.201532 (E_RNA) where: Base-Base interactions energy: -1220.422 where: short stacking energy: -500.596 Base-Backbone interact. energy: 1.281 local terms energy: -538.061134 where: bonds (distance) C4'-P energy: -101.633 bonds (distance) P-C4' energy: -99.194 flat angles C4'-P-C4' energy: -123.187 flat angles P-C4'-P energy: -74.549 tors. eta vs tors. theta energy: -139.497 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: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1687.603086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.603086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.603086 (E_RNA) where: Base-Base interactions energy: -1166.252 where: short stacking energy: -515.668 Base-Backbone interact. energy: -0.007 local terms energy: -521.343654 where: bonds (distance) C4'-P energy: -101.055 bonds (distance) P-C4' energy: -89.429 flat angles C4'-P-C4' energy: -113.055 flat angles P-C4'-P energy: -84.263 tors. eta vs tors. theta energy: -133.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1563.172956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.172956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.172956 (E_RNA) where: Base-Base interactions energy: -1065.030 where: short stacking energy: -452.162 Base-Backbone interact. energy: -1.866 local terms energy: -496.277163 where: bonds (distance) C4'-P energy: -106.785 bonds (distance) P-C4' energy: -112.411 flat angles C4'-P-C4' energy: -100.888 flat angles P-C4'-P energy: -61.443 tors. eta vs tors. theta energy: -114.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1493.219617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.219617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.219617 (E_RNA) where: Base-Base interactions energy: -1036.705 where: short stacking energy: -436.005 Base-Backbone interact. energy: 3.117 local terms energy: -459.632323 where: bonds (distance) C4'-P energy: -92.142 bonds (distance) P-C4' energy: -91.106 flat angles C4'-P-C4' energy: -98.452 flat angles P-C4'-P energy: -59.549 tors. eta vs tors. theta energy: -118.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1432.395089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.395089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.395089 (E_RNA) where: Base-Base interactions energy: -987.976 where: short stacking energy: -439.056 Base-Backbone interact. energy: -2.431 local terms energy: -441.987648 where: bonds (distance) C4'-P energy: -87.069 bonds (distance) P-C4' energy: -94.366 flat angles C4'-P-C4' energy: -101.044 flat angles P-C4'-P energy: -64.460 tors. eta vs tors. theta energy: -95.048 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: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1201.959520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.959520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.959520 (E_RNA) where: Base-Base interactions energy: -814.422 where: short stacking energy: -348.869 Base-Backbone interact. energy: -0.426 local terms energy: -387.110932 where: bonds (distance) C4'-P energy: -93.569 bonds (distance) P-C4' energy: -70.045 flat angles C4'-P-C4' energy: -91.133 flat angles P-C4'-P energy: -61.230 tors. eta vs tors. theta energy: -71.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -985.233512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.233512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.233512 (E_RNA) where: Base-Base interactions energy: -646.446 where: short stacking energy: -298.237 Base-Backbone interact. energy: 0.223 local terms energy: -339.010696 where: bonds (distance) C4'-P energy: -105.086 bonds (distance) P-C4' energy: -64.591 flat angles C4'-P-C4' energy: -81.647 flat angles P-C4'-P energy: -46.992 tors. eta vs tors. theta energy: -40.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -704.653611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.653611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.653611 (E_RNA) where: Base-Base interactions energy: -368.997 where: short stacking energy: -184.377 Base-Backbone interact. energy: 1.383 local terms energy: -337.039990 where: bonds (distance) C4'-P energy: -109.108 bonds (distance) P-C4' energy: -90.560 flat angles C4'-P-C4' energy: -74.395 flat angles P-C4'-P energy: -54.835 tors. eta vs tors. theta energy: -8.142 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: 72 Temperature: 0.900000 Total energy: -1834.949116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.949116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.949116 (E_RNA) where: Base-Base interactions energy: -1265.699 where: short stacking energy: -523.804 Base-Backbone interact. energy: -4.044 local terms energy: -565.205769 where: bonds (distance) C4'-P energy: -99.131 bonds (distance) P-C4' energy: -100.570 flat angles C4'-P-C4' energy: -119.068 flat angles P-C4'-P energy: -88.753 tors. eta vs tors. theta energy: -157.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1831.859538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.859538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.859538 (E_RNA) where: Base-Base interactions energy: -1253.292 where: short stacking energy: -534.550 Base-Backbone interact. energy: -4.183 local terms energy: -574.384817 where: bonds (distance) C4'-P energy: -111.792 bonds (distance) P-C4' energy: -109.446 flat angles C4'-P-C4' energy: -121.285 flat angles P-C4'-P energy: -74.721 tors. eta vs tors. theta energy: -157.141 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: 72 Temperature: 1.000000 Total energy: -1685.997808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.997808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.997808 (E_RNA) where: Base-Base interactions energy: -1158.195 where: short stacking energy: -494.399 Base-Backbone interact. energy: 1.649 local terms energy: -529.452355 where: bonds (distance) C4'-P energy: -105.647 bonds (distance) P-C4' energy: -90.026 flat angles C4'-P-C4' energy: -126.537 flat angles P-C4'-P energy: -71.080 tors. eta vs tors. theta energy: -136.162 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: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1692.770681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.770681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.770681 (E_RNA) where: Base-Base interactions energy: -1150.278 where: short stacking energy: -503.075 Base-Backbone interact. energy: -3.543 local terms energy: -538.949948 where: bonds (distance) C4'-P energy: -100.239 bonds (distance) P-C4' energy: -111.136 flat angles C4'-P-C4' energy: -117.887 flat angles P-C4'-P energy: -80.136 tors. eta vs tors. theta energy: -129.552 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: 72 Temperature: 1.100000 Total energy: -1568.417251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.417251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.417251 (E_RNA) where: Base-Base interactions energy: -1065.382 where: short stacking energy: -443.119 Base-Backbone interact. energy: -3.370 local terms energy: -499.665382 where: bonds (distance) C4'-P energy: -92.069 bonds (distance) P-C4' energy: -85.575 flat angles C4'-P-C4' energy: -118.444 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -132.275 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: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1487.237515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.237515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.237515 (E_RNA) where: Base-Base interactions energy: -1021.909 where: short stacking energy: -420.102 Base-Backbone interact. energy: 2.487 local terms energy: -467.815400 where: bonds (distance) C4'-P energy: -86.765 bonds (distance) P-C4' energy: -90.476 flat angles C4'-P-C4' energy: -110.034 flat angles P-C4'-P energy: -72.024 tors. eta vs tors. theta energy: -108.517 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: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1410.035846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.035846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.035846 (E_RNA) where: Base-Base interactions energy: -923.484 where: short stacking energy: -404.029 Base-Backbone interact. energy: -0.253 local terms energy: -486.298988 where: bonds (distance) C4'-P energy: -102.311 bonds (distance) P-C4' energy: -108.528 flat angles C4'-P-C4' energy: -103.043 flat angles P-C4'-P energy: -65.903 tors. eta vs tors. theta energy: -106.515 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: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1209.391322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.391322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.391322 (E_RNA) where: Base-Base interactions energy: -823.956 where: short stacking energy: -359.836 Base-Backbone interact. energy: -2.214 local terms energy: -383.221280 where: bonds (distance) C4'-P energy: -79.788 bonds (distance) P-C4' energy: -87.935 flat angles C4'-P-C4' energy: -87.471 flat angles P-C4'-P energy: -52.209 tors. eta vs tors. theta energy: -75.818 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: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1045.529864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.529864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.529864 (E_RNA) where: Base-Base interactions energy: -671.411 where: short stacking energy: -300.668 Base-Backbone interact. energy: -0.418 local terms energy: -373.700946 where: bonds (distance) C4'-P energy: -80.086 bonds (distance) P-C4' energy: -92.345 flat angles C4'-P-C4' energy: -88.345 flat angles P-C4'-P energy: -53.759 tors. eta vs tors. theta energy: -59.166 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: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -671.756747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.756747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.756747 (E_RNA) where: Base-Base interactions energy: -370.117 where: short stacking energy: -181.051 Base-Backbone interact. energy: 2.680 local terms energy: -304.320064 where: bonds (distance) C4'-P energy: -83.361 bonds (distance) P-C4' energy: -98.903 flat angles C4'-P-C4' energy: -73.913 flat angles P-C4'-P energy: -49.392 tors. eta vs tors. theta energy: 1.249 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: 73 Temperature: 0.900000 Total energy: -1854.588072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.588072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.588072 (E_RNA) where: Base-Base interactions energy: -1290.382 where: short stacking energy: -532.221 Base-Backbone interact. energy: -4.931 local terms energy: -559.274899 where: bonds (distance) C4'-P energy: -108.876 bonds (distance) P-C4' energy: -100.302 flat angles C4'-P-C4' energy: -128.917 flat angles P-C4'-P energy: -78.398 tors. eta vs tors. theta energy: -142.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1823.931771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.931771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.931771 (E_RNA) where: Base-Base interactions energy: -1276.021 where: short stacking energy: -506.225 Base-Backbone interact. energy: -2.617 local terms energy: -545.293919 where: bonds (distance) C4'-P energy: -98.513 bonds (distance) P-C4' energy: -114.098 flat angles C4'-P-C4' energy: -123.948 flat angles P-C4'-P energy: -71.453 tors. eta vs tors. theta energy: -137.282 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: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1702.515478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.515478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.515478 (E_RNA) where: Base-Base interactions energy: -1158.709 where: short stacking energy: -496.302 Base-Backbone interact. energy: -2.551 local terms energy: -541.255332 where: bonds (distance) C4'-P energy: -104.826 bonds (distance) P-C4' energy: -96.102 flat angles C4'-P-C4' energy: -117.398 flat angles P-C4'-P energy: -79.906 tors. eta vs tors. theta energy: -143.023 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: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1651.659723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.659723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.659723 (E_RNA) where: Base-Base interactions energy: -1114.842 where: short stacking energy: -479.683 Base-Backbone interact. energy: -2.547 local terms energy: -534.270799 where: bonds (distance) C4'-P energy: -96.404 bonds (distance) P-C4' energy: -118.179 flat angles C4'-P-C4' energy: -100.219 flat angles P-C4'-P energy: -79.215 tors. eta vs tors. theta energy: -140.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1517.635089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.635089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.635089 (E_RNA) where: Base-Base interactions energy: -1026.115 where: short stacking energy: -436.485 Base-Backbone interact. energy: -2.094 local terms energy: -489.426060 where: bonds (distance) C4'-P energy: -100.714 bonds (distance) P-C4' energy: -100.790 flat angles C4'-P-C4' energy: -107.202 flat angles P-C4'-P energy: -66.320 tors. eta vs tors. theta energy: -114.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1481.494138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.494138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.494138 (E_RNA) where: Base-Base interactions energy: -1002.917 where: short stacking energy: -434.154 Base-Backbone interact. energy: -0.451 local terms energy: -478.126280 where: bonds (distance) C4'-P energy: -82.389 bonds (distance) P-C4' energy: -96.687 flat angles C4'-P-C4' energy: -110.521 flat angles P-C4'-P energy: -75.437 tors. eta vs tors. theta energy: -113.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1423.790563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.790563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.790563 (E_RNA) where: Base-Base interactions energy: -983.751 where: short stacking energy: -418.031 Base-Backbone interact. energy: 1.836 local terms energy: -441.875435 where: bonds (distance) C4'-P energy: -74.261 bonds (distance) P-C4' energy: -85.245 flat angles C4'-P-C4' energy: -107.878 flat angles P-C4'-P energy: -63.542 tors. eta vs tors. theta energy: -110.950 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: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1253.940177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.940177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.940177 (E_RNA) where: Base-Base interactions energy: -848.211 where: short stacking energy: -349.971 Base-Backbone interact. energy: -2.877 local terms energy: -402.852672 where: bonds (distance) C4'-P energy: -93.537 bonds (distance) P-C4' energy: -78.569 flat angles C4'-P-C4' energy: -96.665 flat angles P-C4'-P energy: -59.010 tors. eta vs tors. theta energy: -75.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1055.909514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.909514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.909514 (E_RNA) where: Base-Base interactions energy: -709.897 where: short stacking energy: -326.363 Base-Backbone interact. energy: 0.883 local terms energy: -346.895668 where: bonds (distance) C4'-P energy: -53.829 bonds (distance) P-C4' energy: -96.407 flat angles C4'-P-C4' energy: -85.425 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: -63.199 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: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -625.133119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.133119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.133119 (E_RNA) where: Base-Base interactions energy: -341.671 where: short stacking energy: -171.991 Base-Backbone interact. energy: 2.562 local terms energy: -286.023779 where: bonds (distance) C4'-P energy: -66.112 bonds (distance) P-C4' energy: -102.427 flat angles C4'-P-C4' energy: -79.229 flat angles P-C4'-P energy: -50.845 tors. eta vs tors. theta energy: 12.590 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: 74 Temperature: 0.900000 Total energy: -1860.799818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.799818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.799818 (E_RNA) where: Base-Base interactions energy: -1282.616 where: short stacking energy: -533.339 Base-Backbone interact. energy: -2.100 local terms energy: -576.084033 where: bonds (distance) C4'-P energy: -105.189 bonds (distance) P-C4' energy: -121.464 flat angles C4'-P-C4' energy: -128.335 flat angles P-C4'-P energy: -76.308 tors. eta vs tors. theta energy: -144.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1823.247370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.247370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.247370 (E_RNA) where: Base-Base interactions energy: -1230.979 where: short stacking energy: -530.120 Base-Backbone interact. energy: -2.090 local terms energy: -590.178808 where: bonds (distance) C4'-P energy: -115.781 bonds (distance) P-C4' energy: -108.589 flat angles C4'-P-C4' energy: -126.666 flat angles P-C4'-P energy: -90.082 tors. eta vs tors. theta energy: -149.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1747.345359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.345359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.345359 (E_RNA) where: Base-Base interactions energy: -1204.223 where: short stacking energy: -508.671 Base-Backbone interact. energy: -4.632 local terms energy: -538.489757 where: bonds (distance) C4'-P energy: -97.663 bonds (distance) P-C4' energy: -112.380 flat angles C4'-P-C4' energy: -119.922 flat angles P-C4'-P energy: -63.241 tors. eta vs tors. theta energy: -145.283 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: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1635.420917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.420917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.420917 (E_RNA) where: Base-Base interactions energy: -1101.316 where: short stacking energy: -470.107 Base-Backbone interact. energy: -4.454 local terms energy: -529.650506 where: bonds (distance) C4'-P energy: -108.729 bonds (distance) P-C4' energy: -101.356 flat angles C4'-P-C4' energy: -113.681 flat angles P-C4'-P energy: -82.021 tors. eta vs tors. theta energy: -123.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1551.514250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.514250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.514250 (E_RNA) where: Base-Base interactions energy: -1036.031 where: short stacking energy: -436.226 Base-Backbone interact. energy: -0.792 local terms energy: -514.691272 where: bonds (distance) C4'-P energy: -109.812 bonds (distance) P-C4' energy: -88.809 flat angles C4'-P-C4' energy: -119.492 flat angles P-C4'-P energy: -85.156 tors. eta vs tors. theta energy: -111.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1488.891244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.891244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.891244 (E_RNA) where: Base-Base interactions energy: -1015.767 where: short stacking energy: -432.610 Base-Backbone interact. energy: -2.525 local terms energy: -470.598941 where: bonds (distance) C4'-P energy: -98.035 bonds (distance) P-C4' energy: -90.533 flat angles C4'-P-C4' energy: -93.108 flat angles P-C4'-P energy: -71.798 tors. eta vs tors. theta energy: -117.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1444.958171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.958171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.958171 (E_RNA) where: Base-Base interactions energy: -967.198 where: short stacking energy: -427.274 Base-Backbone interact. energy: 0.125 local terms energy: -477.885245 where: bonds (distance) C4'-P energy: -88.051 bonds (distance) P-C4' energy: -103.350 flat angles C4'-P-C4' energy: -105.909 flat angles P-C4'-P energy: -65.556 tors. eta vs tors. theta energy: -115.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1279.729119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.729119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.729119 (E_RNA) where: Base-Base interactions energy: -862.187 where: short stacking energy: -362.816 Base-Backbone interact. energy: 0.777 local terms energy: -418.318631 where: bonds (distance) C4'-P energy: -89.304 bonds (distance) P-C4' energy: -95.946 flat angles C4'-P-C4' energy: -93.347 flat angles P-C4'-P energy: -61.071 tors. eta vs tors. theta energy: -78.650 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: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1020.489879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.489879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.489879 (E_RNA) where: Base-Base interactions energy: -634.936 where: short stacking energy: -282.306 Base-Backbone interact. energy: 0.910 local terms energy: -386.463882 where: bonds (distance) C4'-P energy: -83.395 bonds (distance) P-C4' energy: -107.666 flat angles C4'-P-C4' energy: -79.511 flat angles P-C4'-P energy: -70.476 tors. eta vs tors. theta energy: -45.417 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: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -691.946116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.946116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.946116 (E_RNA) where: Base-Base interactions energy: -373.299 where: short stacking energy: -205.905 Base-Backbone interact. energy: -0.050 local terms energy: -318.597964 where: bonds (distance) C4'-P energy: -91.342 bonds (distance) P-C4' energy: -98.017 flat angles C4'-P-C4' energy: -80.567 flat angles P-C4'-P energy: -44.673 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1885.542234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.542234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.542234 (E_RNA) where: Base-Base interactions energy: -1319.176 where: short stacking energy: -558.738 Base-Backbone interact. energy: 1.734 local terms energy: -568.100583 where: bonds (distance) C4'-P energy: -99.536 bonds (distance) P-C4' energy: -109.979 flat angles C4'-P-C4' energy: -126.234 flat angles P-C4'-P energy: -72.833 tors. eta vs tors. theta energy: -159.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1811.103276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.103276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.103276 (E_RNA) where: Base-Base interactions energy: -1253.602 where: short stacking energy: -528.665 Base-Backbone interact. energy: -1.785 local terms energy: -555.716104 where: bonds (distance) C4'-P energy: -107.020 bonds (distance) P-C4' energy: -111.838 flat angles C4'-P-C4' energy: -103.296 flat angles P-C4'-P energy: -80.252 tors. eta vs tors. theta energy: -153.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1738.397737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.397737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.397737 (E_RNA) where: Base-Base interactions energy: -1194.016 where: short stacking energy: -493.104 Base-Backbone interact. energy: -3.297 local terms energy: -541.085352 where: bonds (distance) C4'-P energy: -111.848 bonds (distance) P-C4' energy: -92.372 flat angles C4'-P-C4' energy: -123.241 flat angles P-C4'-P energy: -63.631 tors. eta vs tors. theta energy: -149.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1651.293396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.293396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.293396 (E_RNA) where: Base-Base interactions energy: -1113.521 where: short stacking energy: -486.658 Base-Backbone interact. energy: 0.897 local terms energy: -538.669333 where: bonds (distance) C4'-P energy: -98.414 bonds (distance) P-C4' energy: -102.062 flat angles C4'-P-C4' energy: -116.220 flat angles P-C4'-P energy: -78.326 tors. eta vs tors. theta energy: -143.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1611.512113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.512113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.512113 (E_RNA) where: Base-Base interactions energy: -1121.409 where: short stacking energy: -475.691 Base-Backbone interact. energy: 0.611 local terms energy: -490.714442 where: bonds (distance) C4'-P energy: -77.881 bonds (distance) P-C4' energy: -98.335 flat angles C4'-P-C4' energy: -106.420 flat angles P-C4'-P energy: -77.965 tors. eta vs tors. theta energy: -130.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1475.086425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.086425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.086425 (E_RNA) where: Base-Base interactions energy: -978.563 where: short stacking energy: -438.148 Base-Backbone interact. energy: 2.572 local terms energy: -499.095778 where: bonds (distance) C4'-P energy: -104.319 bonds (distance) P-C4' energy: -100.135 flat angles C4'-P-C4' energy: -104.890 flat angles P-C4'-P energy: -60.372 tors. eta vs tors. theta energy: -129.380 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: 75 Temperature: 1.200000 Total energy: -1445.162599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.162599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.162599 (E_RNA) where: Base-Base interactions energy: -984.537 where: short stacking energy: -404.175 Base-Backbone interact. energy: -0.710 local terms energy: -459.915155 where: bonds (distance) C4'-P energy: -92.435 bonds (distance) P-C4' energy: -89.004 flat angles C4'-P-C4' energy: -103.105 flat angles P-C4'-P energy: -60.319 tors. eta vs tors. theta energy: -115.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1224.564598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.564598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.564598 (E_RNA) where: Base-Base interactions energy: -819.471 where: short stacking energy: -353.472 Base-Backbone interact. energy: 0.197 local terms energy: -405.290894 where: bonds (distance) C4'-P energy: -88.660 bonds (distance) P-C4' energy: -96.583 flat angles C4'-P-C4' energy: -107.959 flat angles P-C4'-P energy: -39.007 tors. eta vs tors. theta energy: -73.083 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: 75 Temperature: 1.300000 Total energy: -1037.905495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.905495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.905495 (E_RNA) where: Base-Base interactions energy: -666.783 where: short stacking energy: -322.732 Base-Backbone interact. energy: 0.680 local terms energy: -371.802563 where: bonds (distance) C4'-P energy: -78.481 bonds (distance) P-C4' energy: -85.233 flat angles C4'-P-C4' energy: -94.266 flat angles P-C4'-P energy: -43.414 tors. eta vs tors. theta energy: -70.409 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: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -674.772444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.772444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.772444 (E_RNA) where: Base-Base interactions energy: -365.599 where: short stacking energy: -180.115 Base-Backbone interact. energy: 2.092 local terms energy: -311.265859 where: bonds (distance) C4'-P energy: -81.071 bonds (distance) P-C4' energy: -75.096 flat angles C4'-P-C4' energy: -82.514 flat angles P-C4'-P energy: -68.463 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1876.093166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.093166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.093166 (E_RNA) where: Base-Base interactions energy: -1276.637 where: short stacking energy: -528.427 Base-Backbone interact. energy: -3.149 local terms energy: -596.307070 where: bonds (distance) C4'-P energy: -98.925 bonds (distance) P-C4' energy: -124.916 flat angles C4'-P-C4' energy: -131.094 flat angles P-C4'-P energy: -81.203 tors. eta vs tors. theta energy: -160.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1817.132738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.132738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.132738 (E_RNA) where: Base-Base interactions energy: -1238.872 where: short stacking energy: -511.180 Base-Backbone interact. energy: -4.652 local terms energy: -573.608765 where: bonds (distance) C4'-P energy: -121.277 bonds (distance) P-C4' energy: -104.731 flat angles C4'-P-C4' energy: -107.076 flat angles P-C4'-P energy: -87.998 tors. eta vs tors. theta energy: -152.527 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: 76 Temperature: 1.000000 Total energy: -1729.315161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.315161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.315161 (E_RNA) where: Base-Base interactions energy: -1172.636 where: short stacking energy: -502.404 Base-Backbone interact. energy: -3.011 local terms energy: -553.668414 where: bonds (distance) C4'-P energy: -98.923 bonds (distance) P-C4' energy: -118.729 flat angles C4'-P-C4' energy: -115.544 flat angles P-C4'-P energy: -81.280 tors. eta vs tors. theta energy: -139.193 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: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1603.693012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.693012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.693012 (E_RNA) where: Base-Base interactions energy: -1104.419 where: short stacking energy: -452.643 Base-Backbone interact. energy: -5.491 local terms energy: -493.782499 where: bonds (distance) C4'-P energy: -96.517 bonds (distance) P-C4' energy: -95.591 flat angles C4'-P-C4' energy: -113.189 flat angles P-C4'-P energy: -68.288 tors. eta vs tors. theta energy: -120.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1555.819905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.819905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.819905 (E_RNA) where: Base-Base interactions energy: -1093.433 where: short stacking energy: -439.944 Base-Backbone interact. energy: -3.106 local terms energy: -459.280615 where: bonds (distance) C4'-P energy: -69.562 bonds (distance) P-C4' energy: -86.269 flat angles C4'-P-C4' energy: -116.154 flat angles P-C4'-P energy: -68.229 tors. eta vs tors. theta energy: -119.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1447.936965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.936965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.936965 (E_RNA) where: Base-Base interactions energy: -957.027 where: short stacking energy: -408.260 Base-Backbone interact. energy: -1.041 local terms energy: -489.868928 where: bonds (distance) C4'-P energy: -105.742 bonds (distance) P-C4' energy: -102.770 flat angles C4'-P-C4' energy: -100.703 flat angles P-C4'-P energy: -62.309 tors. eta vs tors. theta energy: -118.344 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: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1419.126312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.126312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.126312 (E_RNA) where: Base-Base interactions energy: -966.534 where: short stacking energy: -407.469 Base-Backbone interact. energy: -2.057 local terms energy: -450.535073 where: bonds (distance) C4'-P energy: -78.174 bonds (distance) P-C4' energy: -96.559 flat angles C4'-P-C4' energy: -102.404 flat angles P-C4'-P energy: -74.467 tors. eta vs tors. theta energy: -98.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1282.506780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.506780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.506780 (E_RNA) where: Base-Base interactions energy: -885.257 where: short stacking energy: -339.420 Base-Backbone interact. energy: 1.784 local terms energy: -399.033492 where: bonds (distance) C4'-P energy: -94.869 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -90.380 flat angles P-C4'-P energy: -54.835 tors. eta vs tors. theta energy: -75.670 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: 9, replica: 9 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -982.045069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.045069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.045069 (E_RNA) where: Base-Base interactions energy: -606.744 where: short stacking energy: -266.432 Base-Backbone interact. energy: -1.170 local terms energy: -374.131469 where: bonds (distance) C4'-P energy: -95.455 bonds (distance) P-C4' energy: -84.598 flat angles C4'-P-C4' energy: -87.264 flat angles P-C4'-P energy: -52.061 tors. eta vs tors. theta energy: -54.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -672.981581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.981581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.981581 (E_RNA) where: Base-Base interactions energy: -374.053 where: short stacking energy: -183.008 Base-Backbone interact. energy: 0.846 local terms energy: -299.774974 where: bonds (distance) C4'-P energy: -89.815 bonds (distance) P-C4' energy: -82.965 flat angles C4'-P-C4' energy: -68.668 flat angles P-C4'-P energy: -52.111 tors. eta vs tors. theta energy: -6.215 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: 77 Temperature: 0.900000 Total energy: -1858.137241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.137241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.137241 (E_RNA) where: Base-Base interactions energy: -1265.933 where: short stacking energy: -538.780 Base-Backbone interact. energy: -2.973 local terms energy: -589.231390 where: bonds (distance) C4'-P energy: -106.706 bonds (distance) P-C4' energy: -115.094 flat angles C4'-P-C4' energy: -124.886 flat angles P-C4'-P energy: -85.648 tors. eta vs tors. theta energy: -156.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1791.246502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.246502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.246502 (E_RNA) where: Base-Base interactions energy: -1236.223 where: short stacking energy: -513.117 Base-Backbone interact. energy: 0.862 local terms energy: -555.885090 where: bonds (distance) C4'-P energy: -107.515 bonds (distance) P-C4' energy: -97.672 flat angles C4'-P-C4' energy: -128.233 flat angles P-C4'-P energy: -78.851 tors. eta vs tors. theta energy: -143.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1739.144559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.144559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.144559 (E_RNA) where: Base-Base interactions energy: -1180.914 where: short stacking energy: -495.973 Base-Backbone interact. energy: -3.168 local terms energy: -555.061973 where: bonds (distance) C4'-P energy: -106.244 bonds (distance) P-C4' energy: -106.496 flat angles C4'-P-C4' energy: -119.158 flat angles P-C4'-P energy: -76.620 tors. eta vs tors. theta energy: -146.544 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: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1614.327190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.327190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.327190 (E_RNA) where: Base-Base interactions energy: -1069.724 where: short stacking energy: -434.359 Base-Backbone interact. energy: -1.455 local terms energy: -543.147774 where: bonds (distance) C4'-P energy: -115.338 bonds (distance) P-C4' energy: -104.950 flat angles C4'-P-C4' energy: -125.709 flat angles P-C4'-P energy: -78.348 tors. eta vs tors. theta energy: -118.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1573.846585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.846585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.846585 (E_RNA) where: Base-Base interactions energy: -1096.529 where: short stacking energy: -449.814 Base-Backbone interact. energy: 1.838 local terms energy: -479.155576 where: bonds (distance) C4'-P energy: -105.031 bonds (distance) P-C4' energy: -106.208 flat angles C4'-P-C4' energy: -109.724 flat angles P-C4'-P energy: -50.744 tors. eta vs tors. theta energy: -107.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1471.439902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.439902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.439902 (E_RNA) where: Base-Base interactions energy: -1012.230 where: short stacking energy: -440.264 Base-Backbone interact. energy: 5.169 local terms energy: -464.379180 where: bonds (distance) C4'-P energy: -78.876 bonds (distance) P-C4' energy: -110.443 flat angles C4'-P-C4' energy: -98.820 flat angles P-C4'-P energy: -67.180 tors. eta vs tors. theta energy: -109.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1420.595807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.595807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.595807 (E_RNA) where: Base-Base interactions energy: -941.700 where: short stacking energy: -394.908 Base-Backbone interact. energy: -0.815 local terms energy: -478.081200 where: bonds (distance) C4'-P energy: -93.047 bonds (distance) P-C4' energy: -97.922 flat angles C4'-P-C4' energy: -102.598 flat angles P-C4'-P energy: -75.236 tors. eta vs tors. theta energy: -109.277 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: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1163.625012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.625012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.625012 (E_RNA) where: Base-Base interactions energy: -757.783 where: short stacking energy: -292.783 Base-Backbone interact. energy: -3.591 local terms energy: -402.251690 where: bonds (distance) C4'-P energy: -81.142 bonds (distance) P-C4' energy: -98.776 flat angles C4'-P-C4' energy: -93.929 flat angles P-C4'-P energy: -63.029 tors. eta vs tors. theta energy: -65.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -982.007122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.007122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.007122 (E_RNA) where: Base-Base interactions energy: -587.405 where: short stacking energy: -261.183 Base-Backbone interact. energy: 1.644 local terms energy: -396.245293 where: bonds (distance) C4'-P energy: -91.793 bonds (distance) P-C4' energy: -92.656 flat angles C4'-P-C4' energy: -98.844 flat angles P-C4'-P energy: -59.436 tors. eta vs tors. theta energy: -53.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -623.925100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.925100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.925100 (E_RNA) where: Base-Base interactions energy: -316.247 where: short stacking energy: -165.709 Base-Backbone interact. energy: -0.852 local terms energy: -306.825612 where: bonds (distance) C4'-P energy: -61.830 bonds (distance) P-C4' energy: -90.578 flat angles C4'-P-C4' energy: -91.640 flat angles P-C4'-P energy: -53.702 tors. eta vs tors. theta energy: -9.075 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: 78 Temperature: 0.900000 Total energy: -1876.637991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.637991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.637991 (E_RNA) where: Base-Base interactions energy: -1277.357 where: short stacking energy: -524.857 Base-Backbone interact. energy: -5.273 local terms energy: -594.008638 where: bonds (distance) C4'-P energy: -113.869 bonds (distance) P-C4' energy: -123.647 flat angles C4'-P-C4' energy: -119.916 flat angles P-C4'-P energy: -78.577 tors. eta vs tors. theta energy: -158.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1774.406498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.406498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.406498 (E_RNA) where: Base-Base interactions energy: -1204.382 where: short stacking energy: -515.359 Base-Backbone interact. energy: -4.550 local terms energy: -565.474351 where: bonds (distance) C4'-P energy: -103.214 bonds (distance) P-C4' energy: -98.286 flat angles C4'-P-C4' energy: -138.088 flat angles P-C4'-P energy: -80.040 tors. eta vs tors. theta energy: -145.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1743.294838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.294838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.294838 (E_RNA) where: Base-Base interactions energy: -1176.283 where: short stacking energy: -500.851 Base-Backbone interact. energy: -1.754 local terms energy: -565.258242 where: bonds (distance) C4'-P energy: -111.520 bonds (distance) P-C4' energy: -98.593 flat angles C4'-P-C4' energy: -123.399 flat angles P-C4'-P energy: -87.531 tors. eta vs tors. theta energy: -144.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1614.806157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.806157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.806157 (E_RNA) where: Base-Base interactions energy: -1102.994 where: short stacking energy: -453.573 Base-Backbone interact. energy: 0.692 local terms energy: -512.505078 where: bonds (distance) C4'-P energy: -97.612 bonds (distance) P-C4' energy: -98.748 flat angles C4'-P-C4' energy: -119.344 flat angles P-C4'-P energy: -69.151 tors. eta vs tors. theta energy: -127.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1549.759946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.759946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.759946 (E_RNA) where: Base-Base interactions energy: -1051.480 where: short stacking energy: -431.702 Base-Backbone interact. energy: -0.691 local terms energy: -497.588697 where: bonds (distance) C4'-P energy: -101.114 bonds (distance) P-C4' energy: -100.096 flat angles C4'-P-C4' energy: -111.678 flat angles P-C4'-P energy: -65.660 tors. eta vs tors. theta energy: -119.041 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: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1505.314758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.314758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.314758 (E_RNA) where: Base-Base interactions energy: -1020.966 where: short stacking energy: -412.727 Base-Backbone interact. energy: 5.756 local terms energy: -490.103919 where: bonds (distance) C4'-P energy: -95.022 bonds (distance) P-C4' energy: -87.642 flat angles C4'-P-C4' energy: -104.732 flat angles P-C4'-P energy: -86.024 tors. eta vs tors. theta energy: -116.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1390.186881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.186881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.186881 (E_RNA) where: Base-Base interactions energy: -947.329 where: short stacking energy: -398.296 Base-Backbone interact. energy: 5.340 local terms energy: -448.198560 where: bonds (distance) C4'-P energy: -92.870 bonds (distance) P-C4' energy: -111.162 flat angles C4'-P-C4' energy: -94.893 flat angles P-C4'-P energy: -55.682 tors. eta vs tors. theta energy: -93.592 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: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1216.563435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.563435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.563435 (E_RNA) where: Base-Base interactions energy: -824.682 where: short stacking energy: -350.968 Base-Backbone interact. energy: 6.794 local terms energy: -398.675542 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -87.719 flat angles C4'-P-C4' energy: -101.895 flat angles P-C4'-P energy: -59.204 tors. eta vs tors. theta energy: -76.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -944.050474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.050474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.050474 (E_RNA) where: Base-Base interactions energy: -585.196 where: short stacking energy: -240.570 Base-Backbone interact. energy: 2.552 local terms energy: -361.406616 where: bonds (distance) C4'-P energy: -91.157 bonds (distance) P-C4' energy: -88.144 flat angles C4'-P-C4' energy: -77.344 flat angles P-C4'-P energy: -61.091 tors. eta vs tors. theta energy: -43.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -596.737831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.737831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.737831 (E_RNA) where: Base-Base interactions energy: -283.493 where: short stacking energy: -143.146 Base-Backbone interact. energy: -2.796 local terms energy: -310.449209 where: bonds (distance) C4'-P energy: -87.943 bonds (distance) P-C4' energy: -100.165 flat angles C4'-P-C4' energy: -71.195 flat angles P-C4'-P energy: -60.250 tors. eta vs tors. theta energy: 9.104 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: 79 Temperature: 0.900000 Total energy: -1865.623491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.623491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.623491 (E_RNA) where: Base-Base interactions energy: -1305.591 where: short stacking energy: -551.820 Base-Backbone interact. energy: -2.516 local terms energy: -557.516236 where: bonds (distance) C4'-P energy: -110.104 bonds (distance) P-C4' energy: -105.051 flat angles C4'-P-C4' energy: -115.679 flat angles P-C4'-P energy: -70.554 tors. eta vs tors. theta energy: -156.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1776.955500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.955500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.955500 (E_RNA) where: Base-Base interactions energy: -1217.099 where: short stacking energy: -513.461 Base-Backbone interact. energy: -3.821 local terms energy: -556.035839 where: bonds (distance) C4'-P energy: -97.784 bonds (distance) P-C4' energy: -117.552 flat angles C4'-P-C4' energy: -116.728 flat angles P-C4'-P energy: -79.401 tors. eta vs tors. theta energy: -144.571 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: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1767.152374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.152374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.152374 (E_RNA) where: Base-Base interactions energy: -1233.116 where: short stacking energy: -519.299 Base-Backbone interact. energy: -1.991 local terms energy: -532.045744 where: bonds (distance) C4'-P energy: -90.371 bonds (distance) P-C4' energy: -99.095 flat angles C4'-P-C4' energy: -117.342 flat angles P-C4'-P energy: -82.543 tors. eta vs tors. theta energy: -142.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1645.794520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.794520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.794520 (E_RNA) where: Base-Base interactions energy: -1110.621 where: short stacking energy: -474.841 Base-Backbone interact. energy: -0.963 local terms energy: -534.209887 where: bonds (distance) C4'-P energy: -95.736 bonds (distance) P-C4' energy: -105.074 flat angles C4'-P-C4' energy: -114.046 flat angles P-C4'-P energy: -79.823 tors. eta vs tors. theta energy: -139.532 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: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1561.999377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.999377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.999377 (E_RNA) where: Base-Base interactions energy: -1079.087 where: short stacking energy: -469.905 Base-Backbone interact. energy: -1.127 local terms energy: -481.785108 where: bonds (distance) C4'-P energy: -80.974 bonds (distance) P-C4' energy: -92.590 flat angles C4'-P-C4' energy: -115.750 flat angles P-C4'-P energy: -71.204 tors. eta vs tors. theta energy: -121.266 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: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1479.926769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.926769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.926769 (E_RNA) where: Base-Base interactions energy: -1009.166 where: short stacking energy: -435.174 Base-Backbone interact. energy: -3.812 local terms energy: -466.948622 where: bonds (distance) C4'-P energy: -85.531 bonds (distance) P-C4' energy: -92.565 flat angles C4'-P-C4' energy: -106.644 flat angles P-C4'-P energy: -75.501 tors. eta vs tors. theta energy: -106.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1412.871858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.871858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.871858 (E_RNA) where: Base-Base interactions energy: -932.997 where: short stacking energy: -393.282 Base-Backbone interact. energy: -0.178 local terms energy: -479.697242 where: bonds (distance) C4'-P energy: -97.822 bonds (distance) P-C4' energy: -107.422 flat angles C4'-P-C4' energy: -94.900 flat angles P-C4'-P energy: -76.067 tors. eta vs tors. theta energy: -103.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1196.128659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.128659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.128659 (E_RNA) where: Base-Base interactions energy: -806.635 where: short stacking energy: -347.097 Base-Backbone interact. energy: -1.060 local terms energy: -388.433962 where: bonds (distance) C4'-P energy: -90.913 bonds (distance) P-C4' energy: -107.041 flat angles C4'-P-C4' energy: -69.130 flat angles P-C4'-P energy: -49.336 tors. eta vs tors. theta energy: -72.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1020.226077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.226077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.226077 (E_RNA) where: Base-Base interactions energy: -642.097 where: short stacking energy: -293.752 Base-Backbone interact. energy: 1.747 local terms energy: -379.875503 where: bonds (distance) C4'-P energy: -93.450 bonds (distance) P-C4' energy: -87.460 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -47.559 tors. eta vs tors. theta energy: -56.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -615.445624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.445624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.445624 (E_RNA) where: Base-Base interactions energy: -317.975 where: short stacking energy: -179.923 Base-Backbone interact. energy: -1.689 local terms energy: -295.780991 where: bonds (distance) C4'-P energy: -82.936 bonds (distance) P-C4' energy: -91.306 flat angles C4'-P-C4' energy: -70.306 flat angles P-C4'-P energy: -47.448 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1892.630882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.630882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.630882 (E_RNA) where: Base-Base interactions energy: -1300.794 where: short stacking energy: -546.735 Base-Backbone interact. energy: -2.934 local terms energy: -588.902734 where: bonds (distance) C4'-P energy: -109.082 bonds (distance) P-C4' energy: -115.314 flat angles C4'-P-C4' energy: -127.059 flat angles P-C4'-P energy: -82.330 tors. eta vs tors. theta energy: -155.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1814.968547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.968547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.968547 (E_RNA) where: Base-Base interactions energy: -1255.193 where: short stacking energy: -525.993 Base-Backbone interact. energy: -2.538 local terms energy: -557.237633 where: bonds (distance) C4'-P energy: -118.152 bonds (distance) P-C4' energy: -105.261 flat angles C4'-P-C4' energy: -118.721 flat angles P-C4'-P energy: -65.950 tors. eta vs tors. theta energy: -149.154 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: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1783.310902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.310902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.310902 (E_RNA) where: Base-Base interactions energy: -1234.343 where: short stacking energy: -529.231 Base-Backbone interact. energy: -4.116 local terms energy: -544.851618 where: bonds (distance) C4'-P energy: -95.792 bonds (distance) P-C4' energy: -109.424 flat angles C4'-P-C4' energy: -109.045 flat angles P-C4'-P energy: -81.469 tors. eta vs tors. theta energy: -149.121 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: 5 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1685.806388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.806388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.806388 (E_RNA) where: Base-Base interactions energy: -1156.053 where: short stacking energy: -481.953 Base-Backbone interact. energy: -1.486 local terms energy: -528.266933 where: bonds (distance) C4'-P energy: -100.708 bonds (distance) P-C4' energy: -98.430 flat angles C4'-P-C4' energy: -112.134 flat angles P-C4'-P energy: -79.336 tors. eta vs tors. theta energy: -137.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1589.467015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.467015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.467015 (E_RNA) where: Base-Base interactions energy: -1077.758 where: short stacking energy: -476.135 Base-Backbone interact. energy: -1.235 local terms energy: -510.474414 where: bonds (distance) C4'-P energy: -96.060 bonds (distance) P-C4' energy: -94.917 flat angles C4'-P-C4' energy: -117.187 flat angles P-C4'-P energy: -70.665 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: 6, replica: 2 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1507.235337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.235337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.235337 (E_RNA) where: Base-Base interactions energy: -1012.155 where: short stacking energy: -404.069 Base-Backbone interact. energy: 1.506 local terms energy: -496.585541 where: bonds (distance) C4'-P energy: -105.507 bonds (distance) P-C4' energy: -97.014 flat angles C4'-P-C4' energy: -106.910 flat angles P-C4'-P energy: -73.752 tors. eta vs tors. theta energy: -113.404 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: 80 Temperature: 1.200000 Total energy: -1456.409823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.409823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.409823 (E_RNA) where: Base-Base interactions energy: -1004.992 where: short stacking energy: -415.004 Base-Backbone interact. energy: 1.204 local terms energy: -452.622233 where: bonds (distance) C4'-P energy: -84.901 bonds (distance) P-C4' energy: -101.968 flat angles C4'-P-C4' energy: -96.799 flat angles P-C4'-P energy: -64.821 tors. eta vs tors. theta energy: -104.133 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: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1175.754793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.754793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.754793 (E_RNA) where: Base-Base interactions energy: -779.778 where: short stacking energy: -313.952 Base-Backbone interact. energy: -0.022 local terms energy: -395.954324 where: bonds (distance) C4'-P energy: -93.191 bonds (distance) P-C4' energy: -87.254 flat angles C4'-P-C4' energy: -88.936 flat angles P-C4'-P energy: -59.362 tors. eta vs tors. theta energy: -67.212 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: 80 Temperature: 1.300000 Total energy: -997.907501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.907501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.907501 (E_RNA) where: Base-Base interactions energy: -616.769 where: short stacking energy: -282.950 Base-Backbone interact. energy: -3.660 local terms energy: -377.479343 where: bonds (distance) C4'-P energy: -88.334 bonds (distance) P-C4' energy: -97.490 flat angles C4'-P-C4' energy: -84.345 flat angles P-C4'-P energy: -57.699 tors. eta vs tors. theta energy: -49.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -633.824409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.824409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.824409 (E_RNA) where: Base-Base interactions energy: -328.709 where: short stacking energy: -201.027 Base-Backbone interact. energy: -3.478 local terms energy: -301.637212 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -105.752 flat angles C4'-P-C4' energy: -95.162 flat angles P-C4'-P energy: -32.918 tors. eta vs tors. theta energy: 9.156 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: 81 Temperature: 0.900000 Total energy: -1884.436346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.436346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.436346 (E_RNA) where: Base-Base interactions energy: -1288.015 where: short stacking energy: -541.021 Base-Backbone interact. energy: -0.121 local terms energy: -596.300074 where: bonds (distance) C4'-P energy: -117.611 bonds (distance) P-C4' energy: -110.441 flat angles C4'-P-C4' energy: -130.278 flat angles P-C4'-P energy: -79.267 tors. eta vs tors. theta energy: -158.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1801.500338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.500338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.500338 (E_RNA) where: Base-Base interactions energy: -1260.765 where: short stacking energy: -522.197 Base-Backbone interact. energy: -4.015 local terms energy: -536.720925 where: bonds (distance) C4'-P energy: -100.669 bonds (distance) P-C4' energy: -106.626 flat angles C4'-P-C4' energy: -119.054 flat angles P-C4'-P energy: -61.396 tors. eta vs tors. theta energy: -148.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1791.294887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.294887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.294887 (E_RNA) where: Base-Base interactions energy: -1235.674 where: short stacking energy: -511.679 Base-Backbone interact. energy: -1.944 local terms energy: -553.676130 where: bonds (distance) C4'-P energy: -114.483 bonds (distance) P-C4' energy: -93.698 flat angles C4'-P-C4' energy: -115.723 flat angles P-C4'-P energy: -76.935 tors. eta vs tors. theta energy: -152.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1673.986811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.986811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.986811 (E_RNA) where: Base-Base interactions energy: -1174.148 where: short stacking energy: -494.201 Base-Backbone interact. energy: 1.632 local terms energy: -501.471314 where: bonds (distance) C4'-P energy: -79.716 bonds (distance) P-C4' energy: -102.481 flat angles C4'-P-C4' energy: -100.562 flat angles P-C4'-P energy: -68.873 tors. eta vs tors. theta energy: -149.840 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: 81 Temperature: 1.100000 Total energy: -1567.969818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.969818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.969818 (E_RNA) where: Base-Base interactions energy: -1071.468 where: short stacking energy: -439.322 Base-Backbone interact. energy: -1.381 local terms energy: -495.121389 where: bonds (distance) C4'-P energy: -97.344 bonds (distance) P-C4' energy: -95.951 flat angles C4'-P-C4' energy: -103.896 flat angles P-C4'-P energy: -78.960 tors. eta vs tors. theta energy: -118.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1499.941343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.941343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.941343 (E_RNA) where: Base-Base interactions energy: -1019.419 where: short stacking energy: -427.154 Base-Backbone interact. energy: -1.881 local terms energy: -478.641786 where: bonds (distance) C4'-P energy: -88.516 bonds (distance) P-C4' energy: -92.922 flat angles C4'-P-C4' energy: -112.415 flat angles P-C4'-P energy: -66.250 tors. eta vs tors. theta energy: -118.538 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: 81 Temperature: 1.200000 Total energy: -1439.462173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.462173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.462173 (E_RNA) where: Base-Base interactions energy: -978.173 where: short stacking energy: -416.275 Base-Backbone interact. energy: -0.037 local terms energy: -461.251420 where: bonds (distance) C4'-P energy: -74.577 bonds (distance) P-C4' energy: -92.984 flat angles C4'-P-C4' energy: -118.985 flat angles P-C4'-P energy: -70.287 tors. eta vs tors. theta energy: -104.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1226.854258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.854258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.854258 (E_RNA) where: Base-Base interactions energy: -815.118 where: short stacking energy: -363.574 Base-Backbone interact. energy: -2.661 local terms energy: -409.075142 where: bonds (distance) C4'-P energy: -71.737 bonds (distance) P-C4' energy: -98.603 flat angles C4'-P-C4' energy: -91.234 flat angles P-C4'-P energy: -62.011 tors. eta vs tors. theta energy: -85.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -986.204207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.204207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.204207 (E_RNA) where: Base-Base interactions energy: -612.398 where: short stacking energy: -268.216 Base-Backbone interact. energy: -4.264 local terms energy: -369.542394 where: bonds (distance) C4'-P energy: -85.890 bonds (distance) P-C4' energy: -96.165 flat angles C4'-P-C4' energy: -92.879 flat angles P-C4'-P energy: -53.451 tors. eta vs tors. theta energy: -41.157 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: 8 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -579.913455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.913455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.913455 (E_RNA) where: Base-Base interactions energy: -310.618 where: short stacking energy: -165.212 Base-Backbone interact. energy: 4.507 local terms energy: -273.802884 where: bonds (distance) C4'-P energy: -68.117 bonds (distance) P-C4' energy: -90.172 flat angles C4'-P-C4' energy: -76.401 flat angles P-C4'-P energy: -53.086 tors. eta vs tors. theta energy: 13.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1925.700231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.700231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.700231 (E_RNA) where: Base-Base interactions energy: -1339.749 where: short stacking energy: -544.699 Base-Backbone interact. energy: -1.277 local terms energy: -584.674984 where: bonds (distance) C4'-P energy: -107.410 bonds (distance) P-C4' energy: -109.397 flat angles C4'-P-C4' energy: -130.173 flat angles P-C4'-P energy: -78.212 tors. eta vs tors. theta energy: -159.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1789.846032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.846032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.846032 (E_RNA) where: Base-Base interactions energy: -1225.186 where: short stacking energy: -506.041 Base-Backbone interact. energy: -1.709 local terms energy: -562.951328 where: bonds (distance) C4'-P energy: -93.008 bonds (distance) P-C4' energy: -97.941 flat angles C4'-P-C4' energy: -123.026 flat angles P-C4'-P energy: -95.754 tors. eta vs tors. theta energy: -153.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1764.917462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.917462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.917462 (E_RNA) where: Base-Base interactions energy: -1211.288 where: short stacking energy: -497.800 Base-Backbone interact. energy: -2.139 local terms energy: -551.490580 where: bonds (distance) C4'-P energy: -102.962 bonds (distance) P-C4' energy: -121.297 flat angles C4'-P-C4' energy: -110.651 flat angles P-C4'-P energy: -68.699 tors. eta vs tors. theta energy: -147.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1672.112024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.112024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.112024 (E_RNA) where: Base-Base interactions energy: -1129.416 where: short stacking energy: -488.917 Base-Backbone interact. energy: -1.424 local terms energy: -541.272066 where: bonds (distance) C4'-P energy: -99.051 bonds (distance) P-C4' energy: -107.872 flat angles C4'-P-C4' energy: -117.552 flat angles P-C4'-P energy: -69.719 tors. eta vs tors. theta energy: -147.079 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: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1540.493917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.493917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.493917 (E_RNA) where: Base-Base interactions energy: -1079.637 where: short stacking energy: -442.617 Base-Backbone interact. energy: 0.607 local terms energy: -461.464315 where: bonds (distance) C4'-P energy: -88.805 bonds (distance) P-C4' energy: -92.203 flat angles C4'-P-C4' energy: -111.940 flat angles P-C4'-P energy: -61.508 tors. eta vs tors. theta energy: -107.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1533.273051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.273051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.273051 (E_RNA) where: Base-Base interactions energy: -1051.843 where: short stacking energy: -449.376 Base-Backbone interact. energy: -0.887 local terms energy: -480.543258 where: bonds (distance) C4'-P energy: -74.289 bonds (distance) P-C4' energy: -99.824 flat angles C4'-P-C4' energy: -115.914 flat angles P-C4'-P energy: -65.679 tors. eta vs tors. theta energy: -124.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1473.375231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.375231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.375231 (E_RNA) where: Base-Base interactions energy: -1015.566 where: short stacking energy: -415.623 Base-Backbone interact. energy: -1.594 local terms energy: -456.215042 where: bonds (distance) C4'-P energy: -100.099 bonds (distance) P-C4' energy: -95.737 flat angles C4'-P-C4' energy: -89.992 flat angles P-C4'-P energy: -67.620 tors. eta vs tors. theta energy: -102.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1222.628641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.628641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.628641 (E_RNA) where: Base-Base interactions energy: -801.607 where: short stacking energy: -335.448 Base-Backbone interact. energy: -3.046 local terms energy: -417.975586 where: bonds (distance) C4'-P energy: -83.450 bonds (distance) P-C4' energy: -89.306 flat angles C4'-P-C4' energy: -99.684 flat angles P-C4'-P energy: -63.860 tors. eta vs tors. theta energy: -81.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -970.574603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.574603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.574603 (E_RNA) where: Base-Base interactions energy: -612.195 where: short stacking energy: -276.119 Base-Backbone interact. energy: 0.704 local terms energy: -359.083917 where: bonds (distance) C4'-P energy: -80.593 bonds (distance) P-C4' energy: -81.244 flat angles C4'-P-C4' energy: -104.504 flat angles P-C4'-P energy: -51.449 tors. eta vs tors. theta energy: -41.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -623.451789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.451789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.451789 (E_RNA) where: Base-Base interactions energy: -315.443 where: short stacking energy: -164.553 Base-Backbone interact. energy: -3.274 local terms energy: -304.734438 where: bonds (distance) C4'-P energy: -80.645 bonds (distance) P-C4' energy: -103.303 flat angles C4'-P-C4' energy: -79.241 flat angles P-C4'-P energy: -32.141 tors. eta vs tors. theta energy: -9.404 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: 83 Temperature: 0.900000 Total energy: -1856.398078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.398078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.398078 (E_RNA) where: Base-Base interactions energy: -1279.300 where: short stacking energy: -536.055 Base-Backbone interact. energy: -5.714 local terms energy: -571.383358 where: bonds (distance) C4'-P energy: -107.333 bonds (distance) P-C4' energy: -112.823 flat angles C4'-P-C4' energy: -111.120 flat angles P-C4'-P energy: -84.210 tors. eta vs tors. theta energy: -155.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1816.966729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.966729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.966729 (E_RNA) where: Base-Base interactions energy: -1230.245 where: short stacking energy: -529.612 Base-Backbone interact. energy: -2.905 local terms energy: -583.816572 where: bonds (distance) C4'-P energy: -112.745 bonds (distance) P-C4' energy: -113.453 flat angles C4'-P-C4' energy: -123.417 flat angles P-C4'-P energy: -78.855 tors. eta vs tors. theta energy: -155.347 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: 1 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1743.307895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.307895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.307895 (E_RNA) where: Base-Base interactions energy: -1192.111 where: short stacking energy: -515.830 Base-Backbone interact. energy: -3.251 local terms energy: -547.946176 where: bonds (distance) C4'-P energy: -105.190 bonds (distance) P-C4' energy: -110.552 flat angles C4'-P-C4' energy: -118.607 flat angles P-C4'-P energy: -64.596 tors. eta vs tors. theta energy: -149.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1639.486276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.486276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.486276 (E_RNA) where: Base-Base interactions energy: -1117.470 where: short stacking energy: -467.013 Base-Backbone interact. energy: -2.406 local terms energy: -519.610642 where: bonds (distance) C4'-P energy: -93.708 bonds (distance) P-C4' energy: -115.614 flat angles C4'-P-C4' energy: -119.037 flat angles P-C4'-P energy: -66.957 tors. eta vs tors. theta energy: -124.296 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: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1565.702652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.702652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.702652 (E_RNA) where: Base-Base interactions energy: -1078.996 where: short stacking energy: -465.494 Base-Backbone interact. energy: -2.968 local terms energy: -483.738284 where: bonds (distance) C4'-P energy: -97.540 bonds (distance) P-C4' energy: -83.426 flat angles C4'-P-C4' energy: -103.990 flat angles P-C4'-P energy: -76.221 tors. eta vs tors. theta energy: -122.562 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: 83 Temperature: 1.150000 Total energy: -1518.820798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.820798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.820798 (E_RNA) where: Base-Base interactions energy: -1058.394 where: short stacking energy: -430.946 Base-Backbone interact. energy: -0.309 local terms energy: -460.117950 where: bonds (distance) C4'-P energy: -78.646 bonds (distance) P-C4' energy: -90.205 flat angles C4'-P-C4' energy: -107.474 flat angles P-C4'-P energy: -73.345 tors. eta vs tors. theta energy: -110.448 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: 7, replica: 7 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1470.283802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.283802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.283802 (E_RNA) where: Base-Base interactions energy: -977.078 where: short stacking energy: -416.746 Base-Backbone interact. energy: 1.360 local terms energy: -494.565187 where: bonds (distance) C4'-P energy: -94.161 bonds (distance) P-C4' energy: -109.737 flat angles C4'-P-C4' energy: -103.192 flat angles P-C4'-P energy: -68.960 tors. eta vs tors. theta energy: -118.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1214.617011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.617011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.617011 (E_RNA) where: Base-Base interactions energy: -794.548 where: short stacking energy: -337.555 Base-Backbone interact. energy: -0.527 local terms energy: -419.542109 where: bonds (distance) C4'-P energy: -98.549 bonds (distance) P-C4' energy: -82.651 flat angles C4'-P-C4' energy: -88.148 flat angles P-C4'-P energy: -59.956 tors. eta vs tors. theta energy: -90.238 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: 83 Temperature: 1.300000 Total energy: -950.204505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.204505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.204505 (E_RNA) where: Base-Base interactions energy: -588.903 where: short stacking energy: -279.506 Base-Backbone interact. energy: 1.674 local terms energy: -362.975207 where: bonds (distance) C4'-P energy: -90.581 bonds (distance) P-C4' energy: -97.313 flat angles C4'-P-C4' energy: -84.960 flat angles P-C4'-P energy: -40.150 tors. eta vs tors. theta energy: -49.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -601.877263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.877263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.877263 (E_RNA) where: Base-Base interactions energy: -294.904 where: short stacking energy: -156.848 Base-Backbone interact. energy: -0.544 local terms energy: -306.429191 where: bonds (distance) C4'-P energy: -91.167 bonds (distance) P-C4' energy: -82.589 flat angles C4'-P-C4' energy: -92.309 flat angles P-C4'-P energy: -50.083 tors. eta vs tors. theta energy: 9.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1882.941860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.941860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.941860 (E_RNA) where: Base-Base interactions energy: -1296.149 where: short stacking energy: -533.837 Base-Backbone interact. energy: -3.526 local terms energy: -583.266010 where: bonds (distance) C4'-P energy: -113.444 bonds (distance) P-C4' energy: -107.078 flat angles C4'-P-C4' energy: -116.887 flat angles P-C4'-P energy: -88.375 tors. eta vs tors. theta energy: -157.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1768.034540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.034540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.034540 (E_RNA) where: Base-Base interactions energy: -1223.629 where: short stacking energy: -507.548 Base-Backbone interact. energy: -0.316 local terms energy: -544.089284 where: bonds (distance) C4'-P energy: -111.356 bonds (distance) P-C4' energy: -103.013 flat angles C4'-P-C4' energy: -111.196 flat angles P-C4'-P energy: -81.881 tors. eta vs tors. theta energy: -136.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1754.675941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.675941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.675941 (E_RNA) where: Base-Base interactions energy: -1204.088 where: short stacking energy: -486.418 Base-Backbone interact. energy: 0.205 local terms energy: -550.793489 where: bonds (distance) C4'-P energy: -107.670 bonds (distance) P-C4' energy: -112.172 flat angles C4'-P-C4' energy: -123.372 flat angles P-C4'-P energy: -63.127 tors. eta vs tors. theta energy: -144.453 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: 4, replica: 5 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1682.194693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.194693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.194693 (E_RNA) where: Base-Base interactions energy: -1154.275 where: short stacking energy: -480.313 Base-Backbone interact. energy: -1.732 local terms energy: -526.187897 where: bonds (distance) C4'-P energy: -105.528 bonds (distance) P-C4' energy: -104.808 flat angles C4'-P-C4' energy: -102.662 flat angles P-C4'-P energy: -76.865 tors. eta vs tors. theta energy: -136.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1513.018974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.018974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.018974 (E_RNA) where: Base-Base interactions energy: -1034.166 where: short stacking energy: -415.638 Base-Backbone interact. energy: -0.468 local terms energy: -478.385344 where: bonds (distance) C4'-P energy: -88.694 bonds (distance) P-C4' energy: -108.104 flat angles C4'-P-C4' energy: -111.362 flat angles P-C4'-P energy: -58.977 tors. eta vs tors. theta energy: -111.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1486.067649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.067649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.067649 (E_RNA) where: Base-Base interactions energy: -1037.321 where: short stacking energy: -420.803 Base-Backbone interact. energy: 2.787 local terms energy: -451.533833 where: bonds (distance) C4'-P energy: -78.552 bonds (distance) P-C4' energy: -92.133 flat angles C4'-P-C4' energy: -114.294 flat angles P-C4'-P energy: -64.085 tors. eta vs tors. theta energy: -102.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1429.255021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.255021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.255021 (E_RNA) where: Base-Base interactions energy: -987.782 where: short stacking energy: -415.039 Base-Backbone interact. energy: -2.006 local terms energy: -439.466763 where: bonds (distance) C4'-P energy: -93.948 bonds (distance) P-C4' energy: -73.379 flat angles C4'-P-C4' energy: -101.820 flat angles P-C4'-P energy: -60.433 tors. eta vs tors. theta energy: -109.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1205.543150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.543150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.543150 (E_RNA) where: Base-Base interactions energy: -796.066 where: short stacking energy: -336.231 Base-Backbone interact. energy: -1.002 local terms energy: -408.475186 where: bonds (distance) C4'-P energy: -81.090 bonds (distance) P-C4' energy: -92.322 flat angles C4'-P-C4' energy: -85.856 flat angles P-C4'-P energy: -57.488 tors. eta vs tors. theta energy: -91.719 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: 9 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -934.685749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.685749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.685749 (E_RNA) where: Base-Base interactions energy: -578.356 where: short stacking energy: -267.280 Base-Backbone interact. energy: -1.826 local terms energy: -354.503467 where: bonds (distance) C4'-P energy: -102.140 bonds (distance) P-C4' energy: -88.688 flat angles C4'-P-C4' energy: -77.338 flat angles P-C4'-P energy: -51.010 tors. eta vs tors. theta energy: -35.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -622.558449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.558449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.558449 (E_RNA) where: Base-Base interactions energy: -331.087 where: short stacking energy: -187.063 Base-Backbone interact. energy: -0.681 local terms energy: -290.790955 where: bonds (distance) C4'-P energy: -71.530 bonds (distance) P-C4' energy: -95.227 flat angles C4'-P-C4' energy: -77.193 flat angles P-C4'-P energy: -46.857 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1883.704601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.704601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.704601 (E_RNA) where: Base-Base interactions energy: -1308.016 where: short stacking energy: -534.055 Base-Backbone interact. energy: -4.517 local terms energy: -571.171882 where: bonds (distance) C4'-P energy: -101.577 bonds (distance) P-C4' energy: -116.547 flat angles C4'-P-C4' energy: -125.025 flat angles P-C4'-P energy: -78.668 tors. eta vs tors. theta energy: -149.355 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: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1861.428841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.428841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.428841 (E_RNA) where: Base-Base interactions energy: -1294.454 where: short stacking energy: -533.551 Base-Backbone interact. energy: -1.539 local terms energy: -565.434981 where: bonds (distance) C4'-P energy: -103.747 bonds (distance) P-C4' energy: -112.029 flat angles C4'-P-C4' energy: -116.521 flat angles P-C4'-P energy: -77.381 tors. eta vs tors. theta energy: -155.757 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: 3, replica: 4 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1715.875392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.875392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.875392 (E_RNA) where: Base-Base interactions energy: -1173.771 where: short stacking energy: -486.970 Base-Backbone interact. energy: -3.128 local terms energy: -538.976007 where: bonds (distance) C4'-P energy: -108.289 bonds (distance) P-C4' energy: -110.749 flat angles C4'-P-C4' energy: -110.243 flat angles P-C4'-P energy: -74.030 tors. eta vs tors. theta energy: -135.665 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: 5 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1657.148481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.148481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.148481 (E_RNA) where: Base-Base interactions energy: -1143.170 where: short stacking energy: -495.896 Base-Backbone interact. energy: -1.651 local terms energy: -512.327970 where: bonds (distance) C4'-P energy: -105.897 bonds (distance) P-C4' energy: -95.925 flat angles C4'-P-C4' energy: -107.639 flat angles P-C4'-P energy: -65.793 tors. eta vs tors. theta energy: -137.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1564.219943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.219943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.219943 (E_RNA) where: Base-Base interactions energy: -1067.732 where: short stacking energy: -445.867 Base-Backbone interact. energy: 0.974 local terms energy: -497.461026 where: bonds (distance) C4'-P energy: -101.424 bonds (distance) P-C4' energy: -94.886 flat angles C4'-P-C4' energy: -106.483 flat angles P-C4'-P energy: -71.288 tors. eta vs tors. theta energy: -123.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1525.670077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.670077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.670077 (E_RNA) where: Base-Base interactions energy: -1045.378 where: short stacking energy: -427.836 Base-Backbone interact. energy: 0.992 local terms energy: -481.283542 where: bonds (distance) C4'-P energy: -94.589 bonds (distance) P-C4' energy: -116.092 flat angles C4'-P-C4' energy: -100.941 flat angles P-C4'-P energy: -62.679 tors. eta vs tors. theta energy: -106.982 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: 85 Temperature: 1.200000 Total energy: -1381.795438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.795438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.795438 (E_RNA) where: Base-Base interactions energy: -928.417 where: short stacking energy: -386.593 Base-Backbone interact. energy: 1.843 local terms energy: -455.222098 where: bonds (distance) C4'-P energy: -95.872 bonds (distance) P-C4' energy: -74.540 flat angles C4'-P-C4' energy: -107.118 flat angles P-C4'-P energy: -74.302 tors. eta vs tors. theta energy: -103.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1212.964367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.964367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.964367 (E_RNA) where: Base-Base interactions energy: -796.174 where: short stacking energy: -345.526 Base-Backbone interact. energy: -0.483 local terms energy: -416.306624 where: bonds (distance) C4'-P energy: -100.317 bonds (distance) P-C4' energy: -98.483 flat angles C4'-P-C4' energy: -83.519 flat angles P-C4'-P energy: -57.303 tors. eta vs tors. theta energy: -76.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -937.450119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.450119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.450119 (E_RNA) where: Base-Base interactions energy: -560.126 where: short stacking energy: -254.616 Base-Backbone interact. energy: -0.317 local terms energy: -377.007026 where: bonds (distance) C4'-P energy: -93.713 bonds (distance) P-C4' energy: -98.978 flat angles C4'-P-C4' energy: -74.894 flat angles P-C4'-P energy: -68.154 tors. eta vs tors. theta energy: -41.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -574.115371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.115371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.115371 (E_RNA) where: Base-Base interactions energy: -301.221 where: short stacking energy: -169.423 Base-Backbone interact. energy: 11.402 local terms energy: -284.295863 where: bonds (distance) C4'-P energy: -92.437 bonds (distance) P-C4' energy: -92.500 flat angles C4'-P-C4' energy: -78.374 flat angles P-C4'-P energy: -29.955 tors. eta vs tors. theta energy: 8.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1884.582444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.582444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.582444 (E_RNA) where: Base-Base interactions energy: -1329.672 where: short stacking energy: -544.018 Base-Backbone interact. energy: -2.324 local terms energy: -552.586516 where: bonds (distance) C4'-P energy: -96.849 bonds (distance) P-C4' energy: -111.107 flat angles C4'-P-C4' energy: -118.302 flat angles P-C4'-P energy: -77.037 tors. eta vs tors. theta energy: -149.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1857.455002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.455002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.455002 (E_RNA) where: Base-Base interactions energy: -1310.725 where: short stacking energy: -534.787 Base-Backbone interact. energy: -4.384 local terms energy: -542.345378 where: bonds (distance) C4'-P energy: -95.740 bonds (distance) P-C4' energy: -108.017 flat angles C4'-P-C4' energy: -117.789 flat angles P-C4'-P energy: -77.969 tors. eta vs tors. theta energy: -142.831 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: 86 Temperature: 1.000000 Total energy: -1747.567087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.567087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.567087 (E_RNA) where: Base-Base interactions energy: -1211.342 where: short stacking energy: -508.393 Base-Backbone interact. energy: -1.093 local terms energy: -535.131735 where: bonds (distance) C4'-P energy: -112.038 bonds (distance) P-C4' energy: -92.570 flat angles C4'-P-C4' energy: -118.187 flat angles P-C4'-P energy: -67.331 tors. eta vs tors. theta energy: -145.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1656.474342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.474342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.474342 (E_RNA) where: Base-Base interactions energy: -1118.332 where: short stacking energy: -495.872 Base-Backbone interact. energy: -2.787 local terms energy: -535.355109 where: bonds (distance) C4'-P energy: -93.562 bonds (distance) P-C4' energy: -106.800 flat angles C4'-P-C4' energy: -122.983 flat angles P-C4'-P energy: -68.102 tors. eta vs tors. theta energy: -143.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1545.893235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.893235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.893235 (E_RNA) where: Base-Base interactions energy: -1030.726 where: short stacking energy: -445.309 Base-Backbone interact. energy: -1.574 local terms energy: -513.593544 where: bonds (distance) C4'-P energy: -92.336 bonds (distance) P-C4' energy: -103.322 flat angles C4'-P-C4' energy: -114.243 flat angles P-C4'-P energy: -81.986 tors. eta vs tors. theta energy: -121.706 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: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1462.769352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.769352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.769352 (E_RNA) where: Base-Base interactions energy: -970.993 where: short stacking energy: -414.059 Base-Backbone interact. energy: 2.368 local terms energy: -494.143892 where: bonds (distance) C4'-P energy: -97.832 bonds (distance) P-C4' energy: -101.832 flat angles C4'-P-C4' energy: -101.156 flat angles P-C4'-P energy: -79.126 tors. eta vs tors. theta energy: -114.198 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: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1406.464264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.464264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.464264 (E_RNA) where: Base-Base interactions energy: -964.686 where: short stacking energy: -397.532 Base-Backbone interact. energy: 1.641 local terms energy: -443.418989 where: bonds (distance) C4'-P energy: -87.415 bonds (distance) P-C4' energy: -99.933 flat angles C4'-P-C4' energy: -88.494 flat angles P-C4'-P energy: -68.986 tors. eta vs tors. theta energy: -98.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1234.169769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.169769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.169769 (E_RNA) where: Base-Base interactions energy: -825.691 where: short stacking energy: -352.404 Base-Backbone interact. energy: -0.825 local terms energy: -407.653712 where: bonds (distance) C4'-P energy: -84.472 bonds (distance) P-C4' energy: -105.335 flat angles C4'-P-C4' energy: -80.393 flat angles P-C4'-P energy: -70.744 tors. eta vs tors. theta energy: -66.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -942.835844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.835844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.835844 (E_RNA) where: Base-Base interactions energy: -609.724 where: short stacking energy: -268.437 Base-Backbone interact. energy: -1.288 local terms energy: -331.823948 where: bonds (distance) C4'-P energy: -82.458 bonds (distance) P-C4' energy: -87.350 flat angles C4'-P-C4' energy: -90.252 flat angles P-C4'-P energy: -39.643 tors. eta vs tors. theta energy: -32.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -577.345369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.345369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.345369 (E_RNA) where: Base-Base interactions energy: -292.315 where: short stacking energy: -169.567 Base-Backbone interact. energy: 2.131 local terms energy: -287.161594 where: bonds (distance) C4'-P energy: -77.711 bonds (distance) P-C4' energy: -81.586 flat angles C4'-P-C4' energy: -82.030 flat angles P-C4'-P energy: -48.096 tors. eta vs tors. theta energy: 2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1908.915354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.915354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.915354 (E_RNA) where: Base-Base interactions energy: -1313.659 where: short stacking energy: -545.868 Base-Backbone interact. energy: -3.104 local terms energy: -592.152020 where: bonds (distance) C4'-P energy: -109.879 bonds (distance) P-C4' energy: -115.256 flat angles C4'-P-C4' energy: -118.027 flat angles P-C4'-P energy: -86.112 tors. eta vs tors. theta energy: -162.879 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: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1853.404415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.404415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.404415 (E_RNA) where: Base-Base interactions energy: -1275.567 where: short stacking energy: -527.615 Base-Backbone interact. energy: -5.084 local terms energy: -572.753042 where: bonds (distance) C4'-P energy: -104.522 bonds (distance) P-C4' energy: -105.335 flat angles C4'-P-C4' energy: -128.403 flat angles P-C4'-P energy: -84.395 tors. eta vs tors. theta energy: -150.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1770.436422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.436422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.436422 (E_RNA) where: Base-Base interactions energy: -1219.766 where: short stacking energy: -525.651 Base-Backbone interact. energy: -0.476 local terms energy: -550.194552 where: bonds (distance) C4'-P energy: -105.050 bonds (distance) P-C4' energy: -99.502 flat angles C4'-P-C4' energy: -114.135 flat angles P-C4'-P energy: -73.327 tors. eta vs tors. theta energy: -158.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1627.750098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.750098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.750098 (E_RNA) where: Base-Base interactions energy: -1117.292 where: short stacking energy: -466.373 Base-Backbone interact. energy: 1.163 local terms energy: -511.621478 where: bonds (distance) C4'-P energy: -102.319 bonds (distance) P-C4' energy: -98.209 flat angles C4'-P-C4' energy: -107.953 flat angles P-C4'-P energy: -73.588 tors. eta vs tors. theta energy: -129.552 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: 87 Temperature: 1.100000 Total energy: -1527.995909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.995909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.995909 (E_RNA) where: Base-Base interactions energy: -1060.996 where: short stacking energy: -439.145 Base-Backbone interact. energy: -2.622 local terms energy: -464.378122 where: bonds (distance) C4'-P energy: -90.958 bonds (distance) P-C4' energy: -100.200 flat angles C4'-P-C4' energy: -109.229 flat angles P-C4'-P energy: -55.759 tors. eta vs tors. theta energy: -108.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1481.157805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.157805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.157805 (E_RNA) where: Base-Base interactions energy: -1005.449 where: short stacking energy: -417.466 Base-Backbone interact. energy: -1.145 local terms energy: -474.564713 where: bonds (distance) C4'-P energy: -109.887 bonds (distance) P-C4' energy: -89.573 flat angles C4'-P-C4' energy: -105.751 flat angles P-C4'-P energy: -75.491 tors. eta vs tors. theta energy: -93.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1423.492132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.492132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.492132 (E_RNA) where: Base-Base interactions energy: -955.827 where: short stacking energy: -428.179 Base-Backbone interact. energy: 0.270 local terms energy: -467.934663 where: bonds (distance) C4'-P energy: -95.210 bonds (distance) P-C4' energy: -104.081 flat angles C4'-P-C4' energy: -97.076 flat angles P-C4'-P energy: -60.473 tors. eta vs tors. theta energy: -111.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1273.020290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.020290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.020290 (E_RNA) where: Base-Base interactions energy: -853.515 where: short stacking energy: -384.612 Base-Backbone interact. energy: -0.800 local terms energy: -418.704945 where: bonds (distance) C4'-P energy: -84.163 bonds (distance) P-C4' energy: -93.574 flat angles C4'-P-C4' energy: -99.239 flat angles P-C4'-P energy: -55.878 tors. eta vs tors. theta energy: -85.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -924.989991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.989991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.989991 (E_RNA) where: Base-Base interactions energy: -585.361 where: short stacking energy: -269.057 Base-Backbone interact. energy: 1.291 local terms energy: -340.919677 where: bonds (distance) C4'-P energy: -77.320 bonds (distance) P-C4' energy: -87.293 flat angles C4'-P-C4' energy: -76.907 flat angles P-C4'-P energy: -51.170 tors. eta vs tors. theta energy: -48.230 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: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -554.622789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.622789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.622789 (E_RNA) where: Base-Base interactions energy: -271.787 where: short stacking energy: -136.302 Base-Backbone interact. energy: -0.777 local terms energy: -282.058655 where: bonds (distance) C4'-P energy: -90.593 bonds (distance) P-C4' energy: -90.386 flat angles C4'-P-C4' energy: -75.974 flat angles P-C4'-P energy: -39.647 tors. eta vs tors. theta energy: 14.542 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: 88 Temperature: 0.900000 Total energy: -1914.637081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.637081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.637081 (E_RNA) where: Base-Base interactions energy: -1328.746 where: short stacking energy: -553.736 Base-Backbone interact. energy: -5.896 local terms energy: -579.994922 where: bonds (distance) C4'-P energy: -115.554 bonds (distance) P-C4' energy: -118.004 flat angles C4'-P-C4' energy: -126.001 flat angles P-C4'-P energy: -61.964 tors. eta vs tors. theta energy: -158.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1843.623532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.623532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.623532 (E_RNA) where: Base-Base interactions energy: -1280.544 where: short stacking energy: -500.810 Base-Backbone interact. energy: -5.455 local terms energy: -557.623879 where: bonds (distance) C4'-P energy: -113.370 bonds (distance) P-C4' energy: -105.680 flat angles C4'-P-C4' energy: -116.022 flat angles P-C4'-P energy: -75.739 tors. eta vs tors. theta energy: -146.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1771.915956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.915956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.915956 (E_RNA) where: Base-Base interactions energy: -1206.791 where: short stacking energy: -502.460 Base-Backbone interact. energy: -2.026 local terms energy: -563.099335 where: bonds (distance) C4'-P energy: -105.247 bonds (distance) P-C4' energy: -90.922 flat angles C4'-P-C4' energy: -122.922 flat angles P-C4'-P energy: -85.391 tors. eta vs tors. theta energy: -158.618 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: 5 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1638.727282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.727282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.727282 (E_RNA) where: Base-Base interactions energy: -1096.395 where: short stacking energy: -459.417 Base-Backbone interact. energy: -1.323 local terms energy: -541.008569 where: bonds (distance) C4'-P energy: -105.923 bonds (distance) P-C4' energy: -97.138 flat angles C4'-P-C4' energy: -126.916 flat angles P-C4'-P energy: -72.976 tors. eta vs tors. theta energy: -138.056 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: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1551.332853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.332853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.332853 (E_RNA) where: Base-Base interactions energy: -1044.129 where: short stacking energy: -456.512 Base-Backbone interact. energy: -0.088 local terms energy: -507.115714 where: bonds (distance) C4'-P energy: -91.547 bonds (distance) P-C4' energy: -103.922 flat angles C4'-P-C4' energy: -115.911 flat angles P-C4'-P energy: -75.657 tors. eta vs tors. theta energy: -120.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1461.049923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.049923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.049923 (E_RNA) where: Base-Base interactions energy: -970.893 where: short stacking energy: -422.081 Base-Backbone interact. energy: 0.758 local terms energy: -490.914573 where: bonds (distance) C4'-P energy: -106.517 bonds (distance) P-C4' energy: -91.035 flat angles C4'-P-C4' energy: -105.973 flat angles P-C4'-P energy: -66.053 tors. eta vs tors. theta energy: -121.338 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: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1385.428245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.428245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.428245 (E_RNA) where: Base-Base interactions energy: -959.044 where: short stacking energy: -399.619 Base-Backbone interact. energy: 5.284 local terms energy: -431.668845 where: bonds (distance) C4'-P energy: -90.912 bonds (distance) P-C4' energy: -82.692 flat angles C4'-P-C4' energy: -92.369 flat angles P-C4'-P energy: -70.666 tors. eta vs tors. theta energy: -95.031 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: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1257.294079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.294079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.294079 (E_RNA) where: Base-Base interactions energy: -821.542 where: short stacking energy: -367.554 Base-Backbone interact. energy: -1.943 local terms energy: -433.808914 where: bonds (distance) C4'-P energy: -102.979 bonds (distance) P-C4' energy: -99.144 flat angles C4'-P-C4' energy: -105.074 flat angles P-C4'-P energy: -43.192 tors. eta vs tors. theta energy: -83.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -917.835735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.835735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.835735 (E_RNA) where: Base-Base interactions energy: -557.291 where: short stacking energy: -251.654 Base-Backbone interact. energy: 0.458 local terms energy: -361.002504 where: bonds (distance) C4'-P energy: -89.758 bonds (distance) P-C4' energy: -92.704 flat angles C4'-P-C4' energy: -86.300 flat angles P-C4'-P energy: -71.683 tors. eta vs tors. theta energy: -20.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -612.292357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.292357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.292357 (E_RNA) where: Base-Base interactions energy: -320.390 where: short stacking energy: -177.775 Base-Backbone interact. energy: 4.851 local terms energy: -296.753213 where: bonds (distance) C4'-P energy: -78.543 bonds (distance) P-C4' energy: -85.143 flat angles C4'-P-C4' energy: -79.790 flat angles P-C4'-P energy: -45.672 tors. eta vs tors. theta energy: -7.605 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: 89 Temperature: 0.900000 Total energy: -1914.434443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.434443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.434443 (E_RNA) where: Base-Base interactions energy: -1339.796 where: short stacking energy: -568.432 Base-Backbone interact. energy: -3.020 local terms energy: -571.618948 where: bonds (distance) C4'-P energy: -101.596 bonds (distance) P-C4' energy: -109.540 flat angles C4'-P-C4' energy: -119.250 flat angles P-C4'-P energy: -76.990 tors. eta vs tors. theta energy: -164.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1789.580151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.580151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.580151 (E_RNA) where: Base-Base interactions energy: -1238.915 where: short stacking energy: -495.479 Base-Backbone interact. energy: -2.431 local terms energy: -548.234057 where: bonds (distance) C4'-P energy: -104.712 bonds (distance) P-C4' energy: -106.313 flat angles C4'-P-C4' energy: -114.070 flat angles P-C4'-P energy: -79.008 tors. eta vs tors. theta energy: -144.130 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: 89 Temperature: 1.000000 Total energy: -1721.441756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.441756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.441756 (E_RNA) where: Base-Base interactions energy: -1186.549 where: short stacking energy: -478.021 Base-Backbone interact. energy: -3.271 local terms energy: -531.622425 where: bonds (distance) C4'-P energy: -94.760 bonds (distance) P-C4' energy: -101.269 flat angles C4'-P-C4' energy: -114.531 flat angles P-C4'-P energy: -83.143 tors. eta vs tors. theta energy: -137.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1622.654701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.654701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.654701 (E_RNA) where: Base-Base interactions energy: -1098.137 where: short stacking energy: -478.365 Base-Backbone interact. energy: -3.971 local terms energy: -520.546772 where: bonds (distance) C4'-P energy: -110.163 bonds (distance) P-C4' energy: -99.499 flat angles C4'-P-C4' energy: -103.332 flat angles P-C4'-P energy: -78.766 tors. eta vs tors. theta energy: -128.787 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: 5, replica: 5 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1593.876655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.876655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.876655 (E_RNA) where: Base-Base interactions energy: -1091.005 where: short stacking energy: -462.668 Base-Backbone interact. energy: -0.963 local terms energy: -501.909003 where: bonds (distance) C4'-P energy: -108.454 bonds (distance) P-C4' energy: -105.288 flat angles C4'-P-C4' energy: -105.001 flat angles P-C4'-P energy: -51.648 tors. eta vs tors. theta energy: -131.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1441.869041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.869041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.869041 (E_RNA) where: Base-Base interactions energy: -958.498 where: short stacking energy: -403.252 Base-Backbone interact. energy: -1.526 local terms energy: -481.845802 where: bonds (distance) C4'-P energy: -93.576 bonds (distance) P-C4' energy: -112.067 flat angles C4'-P-C4' energy: -105.841 flat angles P-C4'-P energy: -65.006 tors. eta vs tors. theta energy: -105.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1401.410719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.410719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.410719 (E_RNA) where: Base-Base interactions energy: -982.126 where: short stacking energy: -409.107 Base-Backbone interact. energy: -3.835 local terms energy: -415.449860 where: bonds (distance) C4'-P energy: -82.877 bonds (distance) P-C4' energy: -80.202 flat angles C4'-P-C4' energy: -87.776 flat angles P-C4'-P energy: -57.540 tors. eta vs tors. theta energy: -107.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1217.567546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.567546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.567546 (E_RNA) where: Base-Base interactions energy: -778.152 where: short stacking energy: -302.192 Base-Backbone interact. energy: 4.388 local terms energy: -443.803203 where: bonds (distance) C4'-P energy: -99.934 bonds (distance) P-C4' energy: -100.699 flat angles C4'-P-C4' energy: -92.483 flat angles P-C4'-P energy: -75.315 tors. eta vs tors. theta energy: -75.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -887.256969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.256969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.256969 (E_RNA) where: Base-Base interactions energy: -527.885 where: short stacking energy: -238.907 Base-Backbone interact. energy: -0.311 local terms energy: -359.060805 where: bonds (distance) C4'-P energy: -79.674 bonds (distance) P-C4' energy: -74.942 flat angles C4'-P-C4' energy: -85.754 flat angles P-C4'-P energy: -72.715 tors. eta vs tors. theta energy: -45.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -592.652845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.652845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.652845 (E_RNA) where: Base-Base interactions energy: -299.516 where: short stacking energy: -176.872 Base-Backbone interact. energy: 0.166 local terms energy: -293.302423 where: bonds (distance) C4'-P energy: -65.742 bonds (distance) P-C4' energy: -97.986 flat angles C4'-P-C4' energy: -72.925 flat angles P-C4'-P energy: -46.218 tors. eta vs tors. theta energy: -10.431 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: 90 Temperature: 0.900000 Total energy: -1899.393495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.393495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.393495 (E_RNA) where: Base-Base interactions energy: -1310.933 where: short stacking energy: -545.059 Base-Backbone interact. energy: -5.310 local terms energy: -583.150705 where: bonds (distance) C4'-P energy: -101.606 bonds (distance) P-C4' energy: -107.029 flat angles C4'-P-C4' energy: -124.687 flat angles P-C4'-P energy: -92.415 tors. eta vs tors. theta energy: -157.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1799.273438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.273438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.273438 (E_RNA) where: Base-Base interactions energy: -1221.497 where: short stacking energy: -500.838 Base-Backbone interact. energy: -3.580 local terms energy: -574.195674 where: bonds (distance) C4'-P energy: -112.279 bonds (distance) P-C4' energy: -115.333 flat angles C4'-P-C4' energy: -126.387 flat angles P-C4'-P energy: -74.578 tors. eta vs tors. theta energy: -145.618 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: 90 Temperature: 1.000000 Total energy: -1732.456023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.456023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.456023 (E_RNA) where: Base-Base interactions energy: -1204.550 where: short stacking energy: -517.832 Base-Backbone interact. energy: 1.089 local terms energy: -528.995501 where: bonds (distance) C4'-P energy: -94.943 bonds (distance) P-C4' energy: -110.421 flat angles C4'-P-C4' energy: -121.890 flat angles P-C4'-P energy: -59.718 tors. eta vs tors. theta energy: -142.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1625.701379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.701379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.701379 (E_RNA) where: Base-Base interactions energy: -1078.354 where: short stacking energy: -474.310 Base-Backbone interact. energy: -1.411 local terms energy: -545.936020 where: bonds (distance) C4'-P energy: -105.597 bonds (distance) P-C4' energy: -115.264 flat angles C4'-P-C4' energy: -104.665 flat angles P-C4'-P energy: -75.160 tors. eta vs tors. theta energy: -145.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1591.455830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.455830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.455830 (E_RNA) where: Base-Base interactions energy: -1086.878 where: short stacking energy: -458.645 Base-Backbone interact. energy: -1.873 local terms energy: -502.703989 where: bonds (distance) C4'-P energy: -93.729 bonds (distance) P-C4' energy: -106.319 flat angles C4'-P-C4' energy: -103.607 flat angles P-C4'-P energy: -63.651 tors. eta vs tors. theta energy: -135.398 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: 90 Temperature: 1.150000 Total energy: -1472.096176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.096176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.096176 (E_RNA) where: Base-Base interactions energy: -981.119 where: short stacking energy: -411.368 Base-Backbone interact. energy: -1.161 local terms energy: -489.816869 where: bonds (distance) C4'-P energy: -99.082 bonds (distance) P-C4' energy: -102.035 flat angles C4'-P-C4' energy: -112.148 flat angles P-C4'-P energy: -69.737 tors. eta vs tors. theta energy: -106.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1389.991262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.991262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.991262 (E_RNA) where: Base-Base interactions energy: -935.414 where: short stacking energy: -414.688 Base-Backbone interact. energy: -1.340 local terms energy: -453.236724 where: bonds (distance) C4'-P energy: -90.548 bonds (distance) P-C4' energy: -104.817 flat angles C4'-P-C4' energy: -100.266 flat angles P-C4'-P energy: -50.634 tors. eta vs tors. theta energy: -106.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1209.035380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.035380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.035380 (E_RNA) where: Base-Base interactions energy: -802.200 where: short stacking energy: -350.767 Base-Backbone interact. energy: 3.833 local terms energy: -410.668810 where: bonds (distance) C4'-P energy: -90.486 bonds (distance) P-C4' energy: -91.942 flat angles C4'-P-C4' energy: -99.970 flat angles P-C4'-P energy: -49.722 tors. eta vs tors. theta energy: -78.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -889.426874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.426874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.426874 (E_RNA) where: Base-Base interactions energy: -551.574 where: short stacking energy: -235.530 Base-Backbone interact. energy: -1.728 local terms energy: -336.124505 where: bonds (distance) C4'-P energy: -82.351 bonds (distance) P-C4' energy: -91.891 flat angles C4'-P-C4' energy: -78.605 flat angles P-C4'-P energy: -55.278 tors. eta vs tors. theta energy: -28.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -647.823725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.823725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.823725 (E_RNA) where: Base-Base interactions energy: -336.786 where: short stacking energy: -177.489 Base-Backbone interact. energy: 0.516 local terms energy: -311.553253 where: bonds (distance) C4'-P energy: -81.988 bonds (distance) P-C4' energy: -82.859 flat angles C4'-P-C4' energy: -81.186 flat angles P-C4'-P energy: -56.305 tors. eta vs tors. theta energy: -9.216 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: 91 Temperature: 0.900000 Total energy: -1885.583599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.583599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.583599 (E_RNA) where: Base-Base interactions energy: -1281.697 where: short stacking energy: -537.851 Base-Backbone interact. energy: -3.136 local terms energy: -600.750918 where: bonds (distance) C4'-P energy: -108.754 bonds (distance) P-C4' energy: -117.715 flat angles C4'-P-C4' energy: -124.274 flat angles P-C4'-P energy: -86.952 tors. eta vs tors. theta energy: -163.056 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: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1773.707499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.707499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.707499 (E_RNA) where: Base-Base interactions energy: -1229.747 where: short stacking energy: -503.573 Base-Backbone interact. energy: -4.428 local terms energy: -539.533137 where: bonds (distance) C4'-P energy: -101.724 bonds (distance) P-C4' energy: -107.488 flat angles C4'-P-C4' energy: -118.170 flat angles P-C4'-P energy: -74.595 tors. eta vs tors. theta energy: -137.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1733.531536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.531536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.531536 (E_RNA) where: Base-Base interactions energy: -1162.419 where: short stacking energy: -502.402 Base-Backbone interact. energy: 0.148 local terms energy: -571.260342 where: bonds (distance) C4'-P energy: -101.790 bonds (distance) P-C4' energy: -108.317 flat angles C4'-P-C4' energy: -122.505 flat angles P-C4'-P energy: -87.601 tors. eta vs tors. theta energy: -151.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1646.766787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.766787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.766787 (E_RNA) where: Base-Base interactions energy: -1126.746 where: short stacking energy: -505.377 Base-Backbone interact. energy: -0.741 local terms energy: -519.279962 where: bonds (distance) C4'-P energy: -90.676 bonds (distance) P-C4' energy: -86.876 flat angles C4'-P-C4' energy: -124.088 flat angles P-C4'-P energy: -70.229 tors. eta vs tors. theta energy: -147.411 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: 5, replica: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1580.047919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.047919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.047919 (E_RNA) where: Base-Base interactions energy: -1077.598 where: short stacking energy: -482.328 Base-Backbone interact. energy: -2.550 local terms energy: -499.900311 where: bonds (distance) C4'-P energy: -98.637 bonds (distance) P-C4' energy: -99.827 flat angles C4'-P-C4' energy: -106.696 flat angles P-C4'-P energy: -66.325 tors. eta vs tors. theta energy: -128.415 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: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1490.488770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.488770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.488770 (E_RNA) where: Base-Base interactions energy: -1008.593 where: short stacking energy: -417.382 Base-Backbone interact. energy: 3.024 local terms energy: -484.919722 where: bonds (distance) C4'-P energy: -85.768 bonds (distance) P-C4' energy: -103.499 flat angles C4'-P-C4' energy: -110.282 flat angles P-C4'-P energy: -83.185 tors. eta vs tors. theta energy: -102.185 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: 7, replica: 6 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1399.096946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.096946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.096946 (E_RNA) where: Base-Base interactions energy: -932.681 where: short stacking energy: -390.677 Base-Backbone interact. energy: -0.632 local terms energy: -465.784110 where: bonds (distance) C4'-P energy: -97.542 bonds (distance) P-C4' energy: -87.814 flat angles C4'-P-C4' energy: -94.940 flat angles P-C4'-P energy: -75.190 tors. eta vs tors. theta energy: -110.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1240.814095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.814095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.814095 (E_RNA) where: Base-Base interactions energy: -819.953 where: short stacking energy: -355.735 Base-Backbone interact. energy: -0.779 local terms energy: -420.082269 where: bonds (distance) C4'-P energy: -89.649 bonds (distance) P-C4' energy: -94.523 flat angles C4'-P-C4' energy: -105.159 flat angles P-C4'-P energy: -58.126 tors. eta vs tors. theta energy: -72.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -920.776112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.776112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.776112 (E_RNA) where: Base-Base interactions energy: -566.686 where: short stacking energy: -257.260 Base-Backbone interact. energy: -2.483 local terms energy: -351.607833 where: bonds (distance) C4'-P energy: -77.543 bonds (distance) P-C4' energy: -100.665 flat angles C4'-P-C4' energy: -89.153 flat angles P-C4'-P energy: -50.143 tors. eta vs tors. theta energy: -34.104 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: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -576.297785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.297785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.297785 (E_RNA) where: Base-Base interactions energy: -274.837 where: short stacking energy: -163.070 Base-Backbone interact. energy: 1.978 local terms energy: -303.438722 where: bonds (distance) C4'-P energy: -82.087 bonds (distance) P-C4' energy: -105.386 flat angles C4'-P-C4' energy: -75.650 flat angles P-C4'-P energy: -46.036 tors. eta vs tors. theta energy: 5.720 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: 92 Temperature: 0.900000 Total energy: -1864.872846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.872846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.872846 (E_RNA) where: Base-Base interactions energy: -1294.395 where: short stacking energy: -531.937 Base-Backbone interact. energy: -3.878 local terms energy: -566.600138 where: bonds (distance) C4'-P energy: -103.396 bonds (distance) P-C4' energy: -99.505 flat angles C4'-P-C4' energy: -128.219 flat angles P-C4'-P energy: -78.236 tors. eta vs tors. theta energy: -157.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1752.190175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.190175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.190175 (E_RNA) where: Base-Base interactions energy: -1203.967 where: short stacking energy: -502.522 Base-Backbone interact. energy: 2.759 local terms energy: -550.981978 where: bonds (distance) C4'-P energy: -104.934 bonds (distance) P-C4' energy: -114.832 flat angles C4'-P-C4' energy: -111.095 flat angles P-C4'-P energy: -75.113 tors. eta vs tors. theta energy: -145.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1697.423607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.423607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.423607 (E_RNA) where: Base-Base interactions energy: -1162.946 where: short stacking energy: -458.509 Base-Backbone interact. energy: -2.032 local terms energy: -532.445671 where: bonds (distance) C4'-P energy: -102.201 bonds (distance) P-C4' energy: -113.033 flat angles C4'-P-C4' energy: -109.563 flat angles P-C4'-P energy: -74.678 tors. eta vs tors. theta energy: -132.971 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: 92 Temperature: 1.050000 Total energy: -1630.382496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.382496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.382496 (E_RNA) where: Base-Base interactions energy: -1098.404 where: short stacking energy: -491.771 Base-Backbone interact. energy: -2.150 local terms energy: -529.828748 where: bonds (distance) C4'-P energy: -106.672 bonds (distance) P-C4' energy: -100.749 flat angles C4'-P-C4' energy: -112.614 flat angles P-C4'-P energy: -70.794 tors. eta vs tors. theta energy: -138.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1626.670643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.670643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.670643 (E_RNA) where: Base-Base interactions energy: -1131.128 where: short stacking energy: -474.324 Base-Backbone interact. energy: 5.941 local terms energy: -501.483699 where: bonds (distance) C4'-P energy: -100.623 bonds (distance) P-C4' energy: -87.497 flat angles C4'-P-C4' energy: -121.895 flat angles P-C4'-P energy: -55.079 tors. eta vs tors. theta energy: -136.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1466.514102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.514102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.514102 (E_RNA) where: Base-Base interactions energy: -1007.723 where: short stacking energy: -432.513 Base-Backbone interact. energy: 0.447 local terms energy: -459.237484 where: bonds (distance) C4'-P energy: -101.157 bonds (distance) P-C4' energy: -104.720 flat angles C4'-P-C4' energy: -90.496 flat angles P-C4'-P energy: -53.733 tors. eta vs tors. theta energy: -109.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1330.460306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.460306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.460306 (E_RNA) where: Base-Base interactions energy: -881.516 where: short stacking energy: -381.139 Base-Backbone interact. energy: -0.434 local terms energy: -448.509478 where: bonds (distance) C4'-P energy: -98.855 bonds (distance) P-C4' energy: -87.421 flat angles C4'-P-C4' energy: -102.102 flat angles P-C4'-P energy: -67.140 tors. eta vs tors. theta energy: -92.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1169.780113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.780113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.780113 (E_RNA) where: Base-Base interactions energy: -762.327 where: short stacking energy: -342.737 Base-Backbone interact. energy: -0.033 local terms energy: -407.420301 where: bonds (distance) C4'-P energy: -81.415 bonds (distance) P-C4' energy: -82.515 flat angles C4'-P-C4' energy: -109.675 flat angles P-C4'-P energy: -61.316 tors. eta vs tors. theta energy: -72.499 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: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -929.569384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.569384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.569384 (E_RNA) where: Base-Base interactions energy: -578.170 where: short stacking energy: -248.972 Base-Backbone interact. energy: -1.092 local terms energy: -350.307344 where: bonds (distance) C4'-P energy: -87.051 bonds (distance) P-C4' energy: -79.851 flat angles C4'-P-C4' energy: -80.720 flat angles P-C4'-P energy: -63.601 tors. eta vs tors. theta energy: -39.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -626.722682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.722682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.722682 (E_RNA) where: Base-Base interactions energy: -341.223 where: short stacking energy: -191.192 Base-Backbone interact. energy: 1.562 local terms energy: -287.062371 where: bonds (distance) C4'-P energy: -72.338 bonds (distance) P-C4' energy: -92.058 flat angles C4'-P-C4' energy: -62.461 flat angles P-C4'-P energy: -54.680 tors. eta vs tors. theta energy: -5.526 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: 93 Temperature: 0.900000 Total energy: -1892.445677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.445677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.445677 (E_RNA) where: Base-Base interactions energy: -1313.998 where: short stacking energy: -541.933 Base-Backbone interact. energy: -2.828 local terms energy: -575.619690 where: bonds (distance) C4'-P energy: -115.832 bonds (distance) P-C4' energy: -95.394 flat angles C4'-P-C4' energy: -121.017 flat angles P-C4'-P energy: -81.599 tors. eta vs tors. theta energy: -161.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1781.989122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.989122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.989122 (E_RNA) where: Base-Base interactions energy: -1232.840 where: short stacking energy: -495.256 Base-Backbone interact. energy: -3.447 local terms energy: -545.701945 where: bonds (distance) C4'-P energy: -99.471 bonds (distance) P-C4' energy: -108.753 flat angles C4'-P-C4' energy: -120.634 flat angles P-C4'-P energy: -70.448 tors. eta vs tors. theta energy: -146.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1693.971270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.971270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.971270 (E_RNA) where: Base-Base interactions energy: -1172.791 where: short stacking energy: -488.669 Base-Backbone interact. energy: -2.438 local terms energy: -518.741482 where: bonds (distance) C4'-P energy: -102.459 bonds (distance) P-C4' energy: -96.375 flat angles C4'-P-C4' energy: -120.941 flat angles P-C4'-P energy: -69.574 tors. eta vs tors. theta energy: -129.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1639.262270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.262270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.262270 (E_RNA) where: Base-Base interactions energy: -1118.762 where: short stacking energy: -479.011 Base-Backbone interact. energy: -3.133 local terms energy: -517.367342 where: bonds (distance) C4'-P energy: -99.925 bonds (distance) P-C4' energy: -102.031 flat angles C4'-P-C4' energy: -107.214 flat angles P-C4'-P energy: -78.318 tors. eta vs tors. theta energy: -129.880 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: 5, replica: 5 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1574.542804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.542804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.542804 (E_RNA) where: Base-Base interactions energy: -1095.838 where: short stacking energy: -451.339 Base-Backbone interact. energy: -4.153 local terms energy: -474.551945 where: bonds (distance) C4'-P energy: -87.129 bonds (distance) P-C4' energy: -98.072 flat angles C4'-P-C4' energy: -90.726 flat angles P-C4'-P energy: -69.802 tors. eta vs tors. theta energy: -128.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1461.481710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.481710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.481710 (E_RNA) where: Base-Base interactions energy: -996.912 where: short stacking energy: -405.775 Base-Backbone interact. energy: 1.133 local terms energy: -465.702360 where: bonds (distance) C4'-P energy: -87.667 bonds (distance) P-C4' energy: -97.869 flat angles C4'-P-C4' energy: -102.928 flat angles P-C4'-P energy: -80.669 tors. eta vs tors. theta energy: -96.570 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: 93 Temperature: 1.200000 Total energy: -1323.581455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.581455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.581455 (E_RNA) where: Base-Base interactions energy: -912.140 where: short stacking energy: -361.183 Base-Backbone interact. energy: -0.887 local terms energy: -410.553689 where: bonds (distance) C4'-P energy: -80.059 bonds (distance) P-C4' energy: -102.145 flat angles C4'-P-C4' energy: -101.382 flat angles P-C4'-P energy: -47.091 tors. eta vs tors. theta energy: -79.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1154.075246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.075246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.075246 (E_RNA) where: Base-Base interactions energy: -729.821 where: short stacking energy: -318.215 Base-Backbone interact. energy: -1.725 local terms energy: -422.528794 where: bonds (distance) C4'-P energy: -99.942 bonds (distance) P-C4' energy: -89.487 flat angles C4'-P-C4' energy: -102.644 flat angles P-C4'-P energy: -56.084 tors. eta vs tors. theta energy: -74.371 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: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -937.342507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.342507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.342507 (E_RNA) where: Base-Base interactions energy: -601.105 where: short stacking energy: -266.513 Base-Backbone interact. energy: 3.267 local terms energy: -339.503719 where: bonds (distance) C4'-P energy: -90.464 bonds (distance) P-C4' energy: -81.629 flat angles C4'-P-C4' energy: -83.808 flat angles P-C4'-P energy: -47.036 tors. eta vs tors. theta energy: -36.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -612.994205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.994205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.994205 (E_RNA) where: Base-Base interactions energy: -314.192 where: short stacking energy: -162.244 Base-Backbone interact. energy: -3.227 local terms energy: -295.575427 where: bonds (distance) C4'-P energy: -96.340 bonds (distance) P-C4' energy: -86.077 flat angles C4'-P-C4' energy: -77.451 flat angles P-C4'-P energy: -37.158 tors. eta vs tors. theta energy: 1.451 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: 94 Temperature: 0.900000 Total energy: -1875.297413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.297413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.297413 (E_RNA) where: Base-Base interactions energy: -1287.099 where: short stacking energy: -547.762 Base-Backbone interact. energy: -3.462 local terms energy: -584.736515 where: bonds (distance) C4'-P energy: -111.248 bonds (distance) P-C4' energy: -99.642 flat angles C4'-P-C4' energy: -123.222 flat angles P-C4'-P energy: -82.370 tors. eta vs tors. theta energy: -168.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1810.965995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.965995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.965995 (E_RNA) where: Base-Base interactions energy: -1248.015 where: short stacking energy: -524.665 Base-Backbone interact. energy: -2.595 local terms energy: -560.356848 where: bonds (distance) C4'-P energy: -112.174 bonds (distance) P-C4' energy: -100.535 flat angles C4'-P-C4' energy: -129.436 flat angles P-C4'-P energy: -69.139 tors. eta vs tors. theta energy: -149.074 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: 94 Temperature: 1.000000 Total energy: -1704.593902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.593902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.593902 (E_RNA) where: Base-Base interactions energy: -1188.856 where: short stacking energy: -494.012 Base-Backbone interact. energy: 2.341 local terms energy: -518.078569 where: bonds (distance) C4'-P energy: -85.698 bonds (distance) P-C4' energy: -109.261 flat angles C4'-P-C4' energy: -113.770 flat angles P-C4'-P energy: -74.903 tors. eta vs tors. theta energy: -134.446 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: 7 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1599.164894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.164894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.164894 (E_RNA) where: Base-Base interactions energy: -1088.632 where: short stacking energy: -463.152 Base-Backbone interact. energy: 0.184 local terms energy: -510.717298 where: bonds (distance) C4'-P energy: -85.865 bonds (distance) P-C4' energy: -106.584 flat angles C4'-P-C4' energy: -112.254 flat angles P-C4'-P energy: -80.551 tors. eta vs tors. theta energy: -125.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1572.275392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.275392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.275392 (E_RNA) where: Base-Base interactions energy: -1083.926 where: short stacking energy: -448.817 Base-Backbone interact. energy: -2.925 local terms energy: -485.424415 where: bonds (distance) C4'-P energy: -99.222 bonds (distance) P-C4' energy: -102.029 flat angles C4'-P-C4' energy: -107.655 flat angles P-C4'-P energy: -59.346 tors. eta vs tors. theta energy: -117.172 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: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1485.174079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.174079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.174079 (E_RNA) where: Base-Base interactions energy: -1029.299 where: short stacking energy: -427.107 Base-Backbone interact. energy: -1.634 local terms energy: -454.241924 where: bonds (distance) C4'-P energy: -92.764 bonds (distance) P-C4' energy: -91.940 flat angles C4'-P-C4' energy: -91.235 flat angles P-C4'-P energy: -68.342 tors. eta vs tors. theta energy: -109.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1333.840458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.840458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.840458 (E_RNA) where: Base-Base interactions energy: -886.344 where: short stacking energy: -385.927 Base-Backbone interact. energy: -0.520 local terms energy: -446.976499 where: bonds (distance) C4'-P energy: -82.456 bonds (distance) P-C4' energy: -107.634 flat angles C4'-P-C4' energy: -108.302 flat angles P-C4'-P energy: -54.671 tors. eta vs tors. theta energy: -93.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1217.976819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.976819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.976819 (E_RNA) where: Base-Base interactions energy: -799.256 where: short stacking energy: -370.503 Base-Backbone interact. energy: -1.871 local terms energy: -416.849620 where: bonds (distance) C4'-P energy: -88.629 bonds (distance) P-C4' energy: -90.308 flat angles C4'-P-C4' energy: -96.736 flat angles P-C4'-P energy: -57.719 tors. eta vs tors. theta energy: -83.457 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: 94 Temperature: 1.300000 Total energy: -932.882753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.882753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.882753 (E_RNA) where: Base-Base interactions energy: -573.246 where: short stacking energy: -270.049 Base-Backbone interact. energy: -1.849 local terms energy: -357.787673 where: bonds (distance) C4'-P energy: -95.706 bonds (distance) P-C4' energy: -80.495 flat angles C4'-P-C4' energy: -89.166 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -37.007 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: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -634.102971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.102971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.102971 (E_RNA) where: Base-Base interactions energy: -320.937 where: short stacking energy: -172.212 Base-Backbone interact. energy: -2.071 local terms energy: -311.094883 where: bonds (distance) C4'-P energy: -91.308 bonds (distance) P-C4' energy: -91.827 flat angles C4'-P-C4' energy: -87.231 flat angles P-C4'-P energy: -47.813 tors. eta vs tors. theta energy: 7.085 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: 95 Temperature: 0.900000 Total energy: -1866.679979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.679979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.679979 (E_RNA) where: Base-Base interactions energy: -1277.985 where: short stacking energy: -534.291 Base-Backbone interact. energy: -4.266 local terms energy: -584.428935 where: bonds (distance) C4'-P energy: -115.600 bonds (distance) P-C4' energy: -114.199 flat angles C4'-P-C4' energy: -115.643 flat angles P-C4'-P energy: -81.827 tors. eta vs tors. theta energy: -157.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1812.193691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.193691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.193691 (E_RNA) where: Base-Base interactions energy: -1254.117 where: short stacking energy: -522.839 Base-Backbone interact. energy: 2.558 local terms energy: -560.634466 where: bonds (distance) C4'-P energy: -108.649 bonds (distance) P-C4' energy: -108.116 flat angles C4'-P-C4' energy: -130.397 flat angles P-C4'-P energy: -71.531 tors. eta vs tors. theta energy: -141.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1747.498057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.498057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.498057 (E_RNA) where: Base-Base interactions energy: -1207.529 where: short stacking energy: -489.044 Base-Backbone interact. energy: -0.924 local terms energy: -539.044985 where: bonds (distance) C4'-P energy: -101.475 bonds (distance) P-C4' energy: -110.300 flat angles C4'-P-C4' energy: -114.743 flat angles P-C4'-P energy: -77.278 tors. eta vs tors. theta energy: -135.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1646.728200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.728200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.728200 (E_RNA) where: Base-Base interactions energy: -1150.223 where: short stacking energy: -482.280 Base-Backbone interact. energy: -4.102 local terms energy: -492.402997 where: bonds (distance) C4'-P energy: -103.206 bonds (distance) P-C4' energy: -95.834 flat angles C4'-P-C4' energy: -101.874 flat angles P-C4'-P energy: -66.338 tors. eta vs tors. theta energy: -125.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1582.274626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.274626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.274626 (E_RNA) where: Base-Base interactions energy: -1055.358 where: short stacking energy: -465.595 Base-Backbone interact. energy: -0.114 local terms energy: -526.803402 where: bonds (distance) C4'-P energy: -119.689 bonds (distance) P-C4' energy: -110.601 flat angles C4'-P-C4' energy: -105.196 flat angles P-C4'-P energy: -62.978 tors. eta vs tors. theta energy: -128.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1454.788803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.788803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.788803 (E_RNA) where: Base-Base interactions energy: -993.348 where: short stacking energy: -398.083 Base-Backbone interact. energy: -0.737 local terms energy: -460.703354 where: bonds (distance) C4'-P energy: -87.867 bonds (distance) P-C4' energy: -98.258 flat angles C4'-P-C4' energy: -107.314 flat angles P-C4'-P energy: -74.993 tors. eta vs tors. theta energy: -92.271 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: 95 Temperature: 1.200000 Total energy: -1372.005226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.005226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.005226 (E_RNA) where: Base-Base interactions energy: -936.023 where: short stacking energy: -391.095 Base-Backbone interact. energy: -1.793 local terms energy: -434.188777 where: bonds (distance) C4'-P energy: -73.822 bonds (distance) P-C4' energy: -93.140 flat angles C4'-P-C4' energy: -95.418 flat angles P-C4'-P energy: -79.517 tors. eta vs tors. theta energy: -92.292 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: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1213.280603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.280603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.280603 (E_RNA) where: Base-Base interactions energy: -779.498 where: short stacking energy: -340.162 Base-Backbone interact. energy: -2.895 local terms energy: -430.887447 where: bonds (distance) C4'-P energy: -85.077 bonds (distance) P-C4' energy: -110.748 flat angles C4'-P-C4' energy: -89.009 flat angles P-C4'-P energy: -55.065 tors. eta vs tors. theta energy: -90.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -992.602522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.602522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.602522 (E_RNA) where: Base-Base interactions energy: -608.107 where: short stacking energy: -262.771 Base-Backbone interact. energy: 1.466 local terms energy: -385.961955 where: bonds (distance) C4'-P energy: -87.526 bonds (distance) P-C4' energy: -96.263 flat angles C4'-P-C4' energy: -87.981 flat angles P-C4'-P energy: -62.344 tors. eta vs tors. theta energy: -51.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -580.303070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.303070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.303070 (E_RNA) where: Base-Base interactions energy: -288.670 where: short stacking energy: -144.711 Base-Backbone interact. energy: -0.576 local terms energy: -291.057088 where: bonds (distance) C4'-P energy: -83.725 bonds (distance) P-C4' energy: -96.959 flat angles C4'-P-C4' energy: -61.816 flat angles P-C4'-P energy: -54.285 tors. eta vs tors. theta energy: 5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1842.770628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.770628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.770628 (E_RNA) where: Base-Base interactions energy: -1259.783 where: short stacking energy: -532.973 Base-Backbone interact. energy: -1.913 local terms energy: -581.074548 where: bonds (distance) C4'-P energy: -114.865 bonds (distance) P-C4' energy: -108.963 flat angles C4'-P-C4' energy: -124.163 flat angles P-C4'-P energy: -81.641 tors. eta vs tors. theta energy: -151.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1794.058151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.058151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.058151 (E_RNA) where: Base-Base interactions energy: -1239.587 where: short stacking energy: -531.003 Base-Backbone interact. energy: -1.071 local terms energy: -553.400014 where: bonds (distance) C4'-P energy: -114.061 bonds (distance) P-C4' energy: -103.037 flat angles C4'-P-C4' energy: -120.518 flat angles P-C4'-P energy: -69.313 tors. eta vs tors. theta energy: -146.471 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: 3, replica: 4 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1745.387690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.387690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.387690 (E_RNA) where: Base-Base interactions energy: -1171.049 where: short stacking energy: -484.643 Base-Backbone interact. energy: -2.434 local terms energy: -571.905011 where: bonds (distance) C4'-P energy: -109.457 bonds (distance) P-C4' energy: -109.548 flat angles C4'-P-C4' energy: -119.206 flat angles P-C4'-P energy: -78.553 tors. eta vs tors. theta energy: -155.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1632.175846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.175846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.175846 (E_RNA) where: Base-Base interactions energy: -1124.250 where: short stacking energy: -469.260 Base-Backbone interact. energy: -4.391 local terms energy: -503.535522 where: bonds (distance) C4'-P energy: -95.992 bonds (distance) P-C4' energy: -86.716 flat angles C4'-P-C4' energy: -107.554 flat angles P-C4'-P energy: -82.611 tors. eta vs tors. theta energy: -130.663 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: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1589.829967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.829967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.829967 (E_RNA) where: Base-Base interactions energy: -1068.044 where: short stacking energy: -462.934 Base-Backbone interact. energy: 1.036 local terms energy: -522.821960 where: bonds (distance) C4'-P energy: -100.947 bonds (distance) P-C4' energy: -101.632 flat angles C4'-P-C4' energy: -110.388 flat angles P-C4'-P energy: -73.397 tors. eta vs tors. theta energy: -136.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1446.975773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.975773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.975773 (E_RNA) where: Base-Base interactions energy: -995.886 where: short stacking energy: -412.405 Base-Backbone interact. energy: 3.251 local terms energy: -454.340238 where: bonds (distance) C4'-P energy: -82.564 bonds (distance) P-C4' energy: -94.542 flat angles C4'-P-C4' energy: -107.618 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -111.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1398.841292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.841292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.841292 (E_RNA) where: Base-Base interactions energy: -940.527 where: short stacking energy: -388.110 Base-Backbone interact. energy: -1.243 local terms energy: -457.071313 where: bonds (distance) C4'-P energy: -103.685 bonds (distance) P-C4' energy: -98.487 flat angles C4'-P-C4' energy: -97.057 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: -100.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1231.394033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.394033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.394033 (E_RNA) where: Base-Base interactions energy: -818.498 where: short stacking energy: -369.932 Base-Backbone interact. energy: -0.877 local terms energy: -412.018504 where: bonds (distance) C4'-P energy: -99.863 bonds (distance) P-C4' energy: -68.186 flat angles C4'-P-C4' energy: -88.169 flat angles P-C4'-P energy: -67.941 tors. eta vs tors. theta energy: -87.859 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: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -960.571937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.571937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.571937 (E_RNA) where: Base-Base interactions energy: -595.233 where: short stacking energy: -250.270 Base-Backbone interact. energy: -2.049 local terms energy: -363.289575 where: bonds (distance) C4'-P energy: -102.452 bonds (distance) P-C4' energy: -105.350 flat angles C4'-P-C4' energy: -74.377 flat angles P-C4'-P energy: -45.082 tors. eta vs tors. theta energy: -36.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -638.428376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.428376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.428376 (E_RNA) where: Base-Base interactions energy: -339.568 where: short stacking energy: -172.389 Base-Backbone interact. energy: 0.423 local terms energy: -299.283057 where: bonds (distance) C4'-P energy: -82.272 bonds (distance) P-C4' energy: -77.801 flat angles C4'-P-C4' energy: -70.741 flat angles P-C4'-P energy: -48.522 tors. eta vs tors. theta energy: -19.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1856.995683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.995683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.995683 (E_RNA) where: Base-Base interactions energy: -1273.578 where: short stacking energy: -539.125 Base-Backbone interact. energy: -5.971 local terms energy: -577.447419 where: bonds (distance) C4'-P energy: -117.615 bonds (distance) P-C4' energy: -113.717 flat angles C4'-P-C4' energy: -126.329 flat angles P-C4'-P energy: -75.596 tors. eta vs tors. theta energy: -144.190 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: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1805.160824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.160824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.160824 (E_RNA) where: Base-Base interactions energy: -1263.719 where: short stacking energy: -516.004 Base-Backbone interact. energy: -0.105 local terms energy: -541.337320 where: bonds (distance) C4'-P energy: -103.905 bonds (distance) P-C4' energy: -96.508 flat angles C4'-P-C4' energy: -106.761 flat angles P-C4'-P energy: -81.519 tors. eta vs tors. theta energy: -152.645 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: 3, replica: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1725.849281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.849281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.849281 (E_RNA) where: Base-Base interactions energy: -1187.401 where: short stacking energy: -471.370 Base-Backbone interact. energy: -1.350 local terms energy: -537.097743 where: bonds (distance) C4'-P energy: -96.489 bonds (distance) P-C4' energy: -106.228 flat angles C4'-P-C4' energy: -110.663 flat angles P-C4'-P energy: -84.968 tors. eta vs tors. theta energy: -138.749 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: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1658.165087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.165087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.165087 (E_RNA) where: Base-Base interactions energy: -1118.497 where: short stacking energy: -490.872 Base-Backbone interact. energy: -1.497 local terms energy: -538.170966 where: bonds (distance) C4'-P energy: -98.621 bonds (distance) P-C4' energy: -110.896 flat angles C4'-P-C4' energy: -117.582 flat angles P-C4'-P energy: -79.792 tors. eta vs tors. theta energy: -131.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1613.252010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.252010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.252010 (E_RNA) where: Base-Base interactions energy: -1126.625 where: short stacking energy: -471.538 Base-Backbone interact. energy: -2.210 local terms energy: -484.416944 where: bonds (distance) C4'-P energy: -92.200 bonds (distance) P-C4' energy: -88.107 flat angles C4'-P-C4' energy: -107.010 flat angles P-C4'-P energy: -66.166 tors. eta vs tors. theta energy: -130.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1455.367414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.367414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.367414 (E_RNA) where: Base-Base interactions energy: -993.068 where: short stacking energy: -414.947 Base-Backbone interact. energy: -3.436 local terms energy: -458.863238 where: bonds (distance) C4'-P energy: -83.092 bonds (distance) P-C4' energy: -91.588 flat angles C4'-P-C4' energy: -112.027 flat angles P-C4'-P energy: -66.416 tors. eta vs tors. theta energy: -105.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1437.521728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.521728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.521728 (E_RNA) where: Base-Base interactions energy: -999.027 where: short stacking energy: -408.786 Base-Backbone interact. energy: 0.686 local terms energy: -439.180771 where: bonds (distance) C4'-P energy: -82.625 bonds (distance) P-C4' energy: -89.087 flat angles C4'-P-C4' energy: -110.159 flat angles P-C4'-P energy: -51.466 tors. eta vs tors. theta energy: -105.843 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: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1205.609334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.609334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.609334 (E_RNA) where: Base-Base interactions energy: -788.451 where: short stacking energy: -326.219 Base-Backbone interact. energy: -0.101 local terms energy: -417.056951 where: bonds (distance) C4'-P energy: -78.962 bonds (distance) P-C4' energy: -100.699 flat angles C4'-P-C4' energy: -93.303 flat angles P-C4'-P energy: -66.638 tors. eta vs tors. theta energy: -77.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -999.014505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.014505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.014505 (E_RNA) where: Base-Base interactions energy: -656.414 where: short stacking energy: -282.579 Base-Backbone interact. energy: -0.077 local terms energy: -342.523094 where: bonds (distance) C4'-P energy: -101.134 bonds (distance) P-C4' energy: -80.379 flat angles C4'-P-C4' energy: -90.410 flat angles P-C4'-P energy: -33.768 tors. eta vs tors. theta energy: -36.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -584.998912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.998912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.998912 (E_RNA) where: Base-Base interactions energy: -299.677 where: short stacking energy: -156.437 Base-Backbone interact. energy: 7.648 local terms energy: -292.970228 where: bonds (distance) C4'-P energy: -94.069 bonds (distance) P-C4' energy: -97.622 flat angles C4'-P-C4' energy: -66.664 flat angles P-C4'-P energy: -45.713 tors. eta vs tors. theta energy: 11.097 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: 98 Temperature: 0.900000 Total energy: -1868.151309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.151309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.151309 (E_RNA) where: Base-Base interactions energy: -1305.074 where: short stacking energy: -527.468 Base-Backbone interact. energy: 0.685 local terms energy: -563.762160 where: bonds (distance) C4'-P energy: -86.219 bonds (distance) P-C4' energy: -108.460 flat angles C4'-P-C4' energy: -117.585 flat angles P-C4'-P energy: -89.371 tors. eta vs tors. theta energy: -162.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1804.194405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.194405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.194405 (E_RNA) where: Base-Base interactions energy: -1231.388 where: short stacking energy: -512.127 Base-Backbone interact. energy: -1.672 local terms energy: -571.133669 where: bonds (distance) C4'-P energy: -107.536 bonds (distance) P-C4' energy: -120.223 flat angles C4'-P-C4' energy: -119.411 flat angles P-C4'-P energy: -79.180 tors. eta vs tors. theta energy: -144.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1705.168404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.168404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.168404 (E_RNA) where: Base-Base interactions energy: -1171.169 where: short stacking energy: -501.734 Base-Backbone interact. energy: -1.381 local terms energy: -532.618541 where: bonds (distance) C4'-P energy: -86.900 bonds (distance) P-C4' energy: -109.167 flat angles C4'-P-C4' energy: -110.458 flat angles P-C4'-P energy: -75.219 tors. eta vs tors. theta energy: -150.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1660.932647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.932647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.932647 (E_RNA) where: Base-Base interactions energy: -1161.699 where: short stacking energy: -494.865 Base-Backbone interact. energy: 0.333 local terms energy: -499.565952 where: bonds (distance) C4'-P energy: -95.632 bonds (distance) P-C4' energy: -101.928 flat angles C4'-P-C4' energy: -106.162 flat angles P-C4'-P energy: -69.739 tors. eta vs tors. theta energy: -126.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1596.082911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.082911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.082911 (E_RNA) where: Base-Base interactions energy: -1111.485 where: short stacking energy: -456.521 Base-Backbone interact. energy: 1.110 local terms energy: -485.707698 where: bonds (distance) C4'-P energy: -98.238 bonds (distance) P-C4' energy: -99.063 flat angles C4'-P-C4' energy: -111.285 flat angles P-C4'-P energy: -56.068 tors. eta vs tors. theta energy: -121.054 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: 6, replica: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1419.692303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.692303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.692303 (E_RNA) where: Base-Base interactions energy: -960.586 where: short stacking energy: -403.255 Base-Backbone interact. energy: -1.532 local terms energy: -457.575100 where: bonds (distance) C4'-P energy: -87.686 bonds (distance) P-C4' energy: -87.613 flat angles C4'-P-C4' energy: -107.066 flat angles P-C4'-P energy: -76.381 tors. eta vs tors. theta energy: -98.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1443.040603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.040603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.040603 (E_RNA) where: Base-Base interactions energy: -994.274 where: short stacking energy: -414.376 Base-Backbone interact. energy: 2.112 local terms energy: -450.878060 where: bonds (distance) C4'-P energy: -101.034 bonds (distance) P-C4' energy: -101.930 flat angles C4'-P-C4' energy: -82.917 flat angles P-C4'-P energy: -54.173 tors. eta vs tors. theta energy: -110.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1162.930672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.930672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.930672 (E_RNA) where: Base-Base interactions energy: -755.255 where: short stacking energy: -339.884 Base-Backbone interact. energy: -1.919 local terms energy: -405.757199 where: bonds (distance) C4'-P energy: -84.844 bonds (distance) P-C4' energy: -102.493 flat angles C4'-P-C4' energy: -94.096 flat angles P-C4'-P energy: -46.446 tors. eta vs tors. theta energy: -77.878 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: 9 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -983.133502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.133502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.133502 (E_RNA) where: Base-Base interactions energy: -644.860 where: short stacking energy: -279.905 Base-Backbone interact. energy: 1.512 local terms energy: -339.785105 where: bonds (distance) C4'-P energy: -73.250 bonds (distance) P-C4' energy: -81.037 flat angles C4'-P-C4' energy: -93.835 flat angles P-C4'-P energy: -35.137 tors. eta vs tors. theta energy: -56.526 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: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -605.911061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.911061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.911061 (E_RNA) where: Base-Base interactions energy: -325.067 where: short stacking energy: -163.199 Base-Backbone interact. energy: 1.229 local terms energy: -282.073789 where: bonds (distance) C4'-P energy: -74.973 bonds (distance) P-C4' energy: -77.863 flat angles C4'-P-C4' energy: -86.520 flat angles P-C4'-P energy: -42.807 tors. eta vs tors. theta energy: 0.090 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: 99 Temperature: 0.900000 Total energy: -1875.559970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.559970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.559970 (E_RNA) where: Base-Base interactions energy: -1310.858 where: short stacking energy: -539.716 Base-Backbone interact. energy: -1.611 local terms energy: -563.091017 where: bonds (distance) C4'-P energy: -94.545 bonds (distance) P-C4' energy: -101.921 flat angles C4'-P-C4' energy: -117.166 flat angles P-C4'-P energy: -85.903 tors. eta vs tors. theta energy: -163.556 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: 1 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1783.870333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.870333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.870333 (E_RNA) where: Base-Base interactions energy: -1223.118 where: short stacking energy: -501.696 Base-Backbone interact. energy: -1.985 local terms energy: -558.767295 where: bonds (distance) C4'-P energy: -106.204 bonds (distance) P-C4' energy: -95.673 flat angles C4'-P-C4' energy: -126.755 flat angles P-C4'-P energy: -90.101 tors. eta vs tors. theta energy: -140.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1679.815645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.815645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.815645 (E_RNA) where: Base-Base interactions energy: -1165.771 where: short stacking energy: -516.059 Base-Backbone interact. energy: 0.596 local terms energy: -514.641326 where: bonds (distance) C4'-P energy: -105.612 bonds (distance) P-C4' energy: -80.571 flat angles C4'-P-C4' energy: -105.402 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -152.197 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: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1660.627677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.627677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.627677 (E_RNA) where: Base-Base interactions energy: -1145.835 where: short stacking energy: -496.707 Base-Backbone interact. energy: 1.413 local terms energy: -516.205094 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -91.235 flat angles C4'-P-C4' energy: -108.132 flat angles P-C4'-P energy: -78.979 tors. eta vs tors. theta energy: -143.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1638.432942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.432942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.432942 (E_RNA) where: Base-Base interactions energy: -1122.644 where: short stacking energy: -473.568 Base-Backbone interact. energy: -0.684 local terms energy: -515.105076 where: bonds (distance) C4'-P energy: -110.461 bonds (distance) P-C4' energy: -104.846 flat angles C4'-P-C4' energy: -96.693 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: -127.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1438.817965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.817965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.817965 (E_RNA) where: Base-Base interactions energy: -968.325 where: short stacking energy: -397.018 Base-Backbone interact. energy: 4.027 local terms energy: -474.519993 where: bonds (distance) C4'-P energy: -110.405 bonds (distance) P-C4' energy: -81.870 flat angles C4'-P-C4' energy: -118.299 flat angles P-C4'-P energy: -64.664 tors. eta vs tors. theta energy: -99.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1408.626729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.626729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.626729 (E_RNA) where: Base-Base interactions energy: -956.866 where: short stacking energy: -403.517 Base-Backbone interact. energy: 0.629 local terms energy: -452.389713 where: bonds (distance) C4'-P energy: -94.232 bonds (distance) P-C4' energy: -96.930 flat angles C4'-P-C4' energy: -104.998 flat angles P-C4'-P energy: -58.753 tors. eta vs tors. theta energy: -97.477 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: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1167.230277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.230277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.230277 (E_RNA) where: Base-Base interactions energy: -756.864 where: short stacking energy: -333.996 Base-Backbone interact. energy: -0.481 local terms energy: -409.885126 where: bonds (distance) C4'-P energy: -80.156 bonds (distance) P-C4' energy: -105.290 flat angles C4'-P-C4' energy: -94.535 flat angles P-C4'-P energy: -53.489 tors. eta vs tors. theta energy: -76.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -944.035974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.035974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.035974 (E_RNA) where: Base-Base interactions energy: -587.151 where: short stacking energy: -264.162 Base-Backbone interact. energy: 0.942 local terms energy: -357.826446 where: bonds (distance) C4'-P energy: -78.626 bonds (distance) P-C4' energy: -86.820 flat angles C4'-P-C4' energy: -90.063 flat angles P-C4'-P energy: -45.891 tors. eta vs tors. theta energy: -56.427 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: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -609.646847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.646847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.646847 (E_RNA) where: Base-Base interactions energy: -291.600 where: short stacking energy: -169.754 Base-Backbone interact. energy: -2.773 local terms energy: -315.273630 where: bonds (distance) C4'-P energy: -95.170 bonds (distance) P-C4' energy: -101.550 flat angles C4'-P-C4' energy: -67.430 flat angles P-C4'-P energy: -48.408 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1889.459900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.459900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.459900 (E_RNA) where: Base-Base interactions energy: -1293.556 where: short stacking energy: -543.383 Base-Backbone interact. energy: -3.451 local terms energy: -592.452791 where: bonds (distance) C4'-P energy: -105.623 bonds (distance) P-C4' energy: -116.413 flat angles C4'-P-C4' energy: -112.498 flat angles P-C4'-P energy: -88.310 tors. eta vs tors. theta energy: -169.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1781.717947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.717947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.717947 (E_RNA) where: Base-Base interactions energy: -1201.260 where: short stacking energy: -496.873 Base-Backbone interact. energy: -3.031 local terms energy: -577.427653 where: bonds (distance) C4'-P energy: -120.217 bonds (distance) P-C4' energy: -107.812 flat angles C4'-P-C4' energy: -123.652 flat angles P-C4'-P energy: -74.954 tors. eta vs tors. theta energy: -150.792 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: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1690.748787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.748787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.748787 (E_RNA) where: Base-Base interactions energy: -1147.742 where: short stacking energy: -512.667 Base-Backbone interact. energy: 0.383 local terms energy: -543.390035 where: bonds (distance) C4'-P energy: -93.033 bonds (distance) P-C4' energy: -104.146 flat angles C4'-P-C4' energy: -108.849 flat angles P-C4'-P energy: -89.443 tors. eta vs tors. theta energy: -147.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1643.497536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.497536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.497536 (E_RNA) where: Base-Base interactions energy: -1128.805 where: short stacking energy: -464.451 Base-Backbone interact. energy: -1.093 local terms energy: -513.598692 where: bonds (distance) C4'-P energy: -93.825 bonds (distance) P-C4' energy: -101.318 flat angles C4'-P-C4' energy: -116.357 flat angles P-C4'-P energy: -64.860 tors. eta vs tors. theta energy: -137.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1572.524502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.524502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.524502 (E_RNA) where: Base-Base interactions energy: -1098.354 where: short stacking energy: -431.306 Base-Backbone interact. energy: -4.203 local terms energy: -469.967678 where: bonds (distance) C4'-P energy: -96.580 bonds (distance) P-C4' energy: -105.591 flat angles C4'-P-C4' energy: -94.097 flat angles P-C4'-P energy: -62.240 tors. eta vs tors. theta energy: -111.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1406.804418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.804418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.804418 (E_RNA) where: Base-Base interactions energy: -960.310 where: short stacking energy: -391.849 Base-Backbone interact. energy: -0.536 local terms energy: -445.958637 where: bonds (distance) C4'-P energy: -89.089 bonds (distance) P-C4' energy: -104.676 flat angles C4'-P-C4' energy: -88.392 flat angles P-C4'-P energy: -54.988 tors. eta vs tors. theta energy: -108.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1399.901165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.901165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.901165 (E_RNA) where: Base-Base interactions energy: -974.309 where: short stacking energy: -394.080 Base-Backbone interact. energy: -1.221 local terms energy: -424.370757 where: bonds (distance) C4'-P energy: -96.932 bonds (distance) P-C4' energy: -81.678 flat angles C4'-P-C4' energy: -99.130 flat angles P-C4'-P energy: -64.168 tors. eta vs tors. theta energy: -82.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1164.074074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.074074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.074074 (E_RNA) where: Base-Base interactions energy: -776.543 where: short stacking energy: -327.863 Base-Backbone interact. energy: 0.379 local terms energy: -387.909883 where: bonds (distance) C4'-P energy: -86.672 bonds (distance) P-C4' energy: -91.549 flat angles C4'-P-C4' energy: -89.457 flat angles P-C4'-P energy: -48.880 tors. eta vs tors. theta energy: -71.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -983.421200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.421200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.421200 (E_RNA) where: Base-Base interactions energy: -603.739 where: short stacking energy: -258.048 Base-Backbone interact. energy: -1.380 local terms energy: -378.301933 where: bonds (distance) C4'-P energy: -90.191 bonds (distance) P-C4' energy: -95.102 flat angles C4'-P-C4' energy: -84.025 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: -45.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -603.217420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.217420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.217420 (E_RNA) where: Base-Base interactions energy: -296.957 where: short stacking energy: -168.676 Base-Backbone interact. energy: 0.994 local terms energy: -307.254264 where: bonds (distance) C4'-P energy: -85.780 bonds (distance) P-C4' energy: -85.511 flat angles C4'-P-C4' energy: -93.460 flat angles P-C4'-P energy: -44.631 tors. eta vs tors. theta energy: 2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1898.927332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.927332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.927332 (E_RNA) where: Base-Base interactions energy: -1287.989 where: short stacking energy: -562.949 Base-Backbone interact. energy: -6.383 local terms energy: -604.554876 where: bonds (distance) C4'-P energy: -108.888 bonds (distance) P-C4' energy: -112.344 flat angles C4'-P-C4' energy: -130.669 flat angles P-C4'-P energy: -80.565 tors. eta vs tors. theta energy: -172.088 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: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1779.404930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.404930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.404930 (E_RNA) where: Base-Base interactions energy: -1211.117 where: short stacking energy: -509.400 Base-Backbone interact. energy: -2.739 local terms energy: -565.548939 where: bonds (distance) C4'-P energy: -109.457 bonds (distance) P-C4' energy: -112.730 flat angles C4'-P-C4' energy: -115.930 flat angles P-C4'-P energy: -78.030 tors. eta vs tors. theta energy: -149.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1693.342150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.342150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.342150 (E_RNA) where: Base-Base interactions energy: -1137.521 where: short stacking energy: -517.533 Base-Backbone interact. energy: -1.575 local terms energy: -554.246436 where: bonds (distance) C4'-P energy: -88.450 bonds (distance) P-C4' energy: -106.245 flat angles C4'-P-C4' energy: -116.571 flat angles P-C4'-P energy: -91.264 tors. eta vs tors. theta energy: -151.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1621.800487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.800487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.800487 (E_RNA) where: Base-Base interactions energy: -1110.124 where: short stacking energy: -436.646 Base-Backbone interact. energy: -2.454 local terms energy: -509.222836 where: bonds (distance) C4'-P energy: -95.504 bonds (distance) P-C4' energy: -97.079 flat angles C4'-P-C4' energy: -115.414 flat angles P-C4'-P energy: -80.477 tors. eta vs tors. theta energy: -120.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1557.714927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.714927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.714927 (E_RNA) where: Base-Base interactions energy: -1057.173 where: short stacking energy: -421.239 Base-Backbone interact. energy: -3.776 local terms energy: -496.766534 where: bonds (distance) C4'-P energy: -98.597 bonds (distance) P-C4' energy: -98.881 flat angles C4'-P-C4' energy: -104.424 flat angles P-C4'-P energy: -69.396 tors. eta vs tors. theta energy: -125.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1441.177227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.177227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.177227 (E_RNA) where: Base-Base interactions energy: -982.818 where: short stacking energy: -415.297 Base-Backbone interact. energy: 0.284 local terms energy: -458.643360 where: bonds (distance) C4'-P energy: -85.332 bonds (distance) P-C4' energy: -87.150 flat angles C4'-P-C4' energy: -112.317 flat angles P-C4'-P energy: -67.242 tors. eta vs tors. theta energy: -106.602 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: 101 Temperature: 1.200000 Total energy: -1405.144307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.144307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.144307 (E_RNA) where: Base-Base interactions energy: -964.805 where: short stacking energy: -423.987 Base-Backbone interact. energy: -2.428 local terms energy: -437.911169 where: bonds (distance) C4'-P energy: -84.682 bonds (distance) P-C4' energy: -82.787 flat angles C4'-P-C4' energy: -105.490 flat angles P-C4'-P energy: -57.926 tors. eta vs tors. theta energy: -107.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1207.587958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.587958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.587958 (E_RNA) where: Base-Base interactions energy: -793.838 where: short stacking energy: -351.125 Base-Backbone interact. energy: -0.776 local terms energy: -412.974558 where: bonds (distance) C4'-P energy: -80.577 bonds (distance) P-C4' energy: -96.662 flat angles C4'-P-C4' energy: -92.881 flat angles P-C4'-P energy: -63.507 tors. eta vs tors. theta energy: -79.348 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: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -969.175105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.175105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.175105 (E_RNA) where: Base-Base interactions energy: -593.742 where: short stacking energy: -270.923 Base-Backbone interact. energy: 2.520 local terms energy: -377.953690 where: bonds (distance) C4'-P energy: -94.597 bonds (distance) P-C4' energy: -93.279 flat angles C4'-P-C4' energy: -82.155 flat angles P-C4'-P energy: -52.242 tors. eta vs tors. theta energy: -55.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -651.145433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.145433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.145433 (E_RNA) where: Base-Base interactions energy: -338.411 where: short stacking energy: -165.294 Base-Backbone interact. energy: -1.292 local terms energy: -311.442743 where: bonds (distance) C4'-P energy: -89.664 bonds (distance) P-C4' energy: -94.935 flat angles C4'-P-C4' energy: -74.393 flat angles P-C4'-P energy: -57.823 tors. eta vs tors. theta energy: 5.372 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: 102 Temperature: 0.900000 Total energy: -1902.958802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.958802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.958802 (E_RNA) where: Base-Base interactions energy: -1303.363 where: short stacking energy: -531.619 Base-Backbone interact. energy: -1.987 local terms energy: -597.608276 where: bonds (distance) C4'-P energy: -121.469 bonds (distance) P-C4' energy: -111.019 flat angles C4'-P-C4' energy: -122.181 flat angles P-C4'-P energy: -81.580 tors. eta vs tors. theta energy: -161.359 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: 1 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1798.745192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.745192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.745192 (E_RNA) where: Base-Base interactions energy: -1232.122 where: short stacking energy: -532.209 Base-Backbone interact. energy: -2.823 local terms energy: -563.800021 where: bonds (distance) C4'-P energy: -113.205 bonds (distance) P-C4' energy: -108.877 flat angles C4'-P-C4' energy: -128.429 flat angles P-C4'-P energy: -61.234 tors. eta vs tors. theta energy: -152.055 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: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1711.341890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.341890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.341890 (E_RNA) where: Base-Base interactions energy: -1169.177 where: short stacking energy: -531.327 Base-Backbone interact. energy: -0.950 local terms energy: -541.214194 where: bonds (distance) C4'-P energy: -98.270 bonds (distance) P-C4' energy: -97.320 flat angles C4'-P-C4' energy: -108.689 flat angles P-C4'-P energy: -81.234 tors. eta vs tors. theta energy: -155.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1663.993316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.993316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.993316 (E_RNA) where: Base-Base interactions energy: -1155.010 where: short stacking energy: -481.785 Base-Backbone interact. energy: -1.927 local terms energy: -507.056604 where: bonds (distance) C4'-P energy: -102.488 bonds (distance) P-C4' energy: -92.999 flat angles C4'-P-C4' energy: -102.384 flat angles P-C4'-P energy: -73.650 tors. eta vs tors. theta energy: -135.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1576.374706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.374706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.374706 (E_RNA) where: Base-Base interactions energy: -1112.260 where: short stacking energy: -461.364 Base-Backbone interact. energy: 3.782 local terms energy: -467.896500 where: bonds (distance) C4'-P energy: -83.167 bonds (distance) P-C4' energy: -95.105 flat angles C4'-P-C4' energy: -99.719 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: -125.338 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: 102 Temperature: 1.150000 Total energy: -1454.655605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.655605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.655605 (E_RNA) where: Base-Base interactions energy: -998.587 where: short stacking energy: -409.877 Base-Backbone interact. energy: 1.539 local terms energy: -457.608275 where: bonds (distance) C4'-P energy: -84.296 bonds (distance) P-C4' energy: -100.994 flat angles C4'-P-C4' energy: -103.314 flat angles P-C4'-P energy: -64.452 tors. eta vs tors. theta energy: -104.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1413.557953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.557953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.557953 (E_RNA) where: Base-Base interactions energy: -939.774 where: short stacking energy: -384.794 Base-Backbone interact. energy: -2.308 local terms energy: -471.476851 where: bonds (distance) C4'-P energy: -105.028 bonds (distance) P-C4' energy: -101.585 flat angles C4'-P-C4' energy: -95.563 flat angles P-C4'-P energy: -72.289 tors. eta vs tors. theta energy: -97.013 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: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1202.358447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.358447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.358447 (E_RNA) where: Base-Base interactions energy: -812.193 where: short stacking energy: -370.491 Base-Backbone interact. energy: 3.376 local terms energy: -393.541167 where: bonds (distance) C4'-P energy: -86.247 bonds (distance) P-C4' energy: -86.017 flat angles C4'-P-C4' energy: -97.979 flat angles P-C4'-P energy: -45.835 tors. eta vs tors. theta energy: -77.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -996.270942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.270942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.270942 (E_RNA) where: Base-Base interactions energy: -619.584 where: short stacking energy: -285.509 Base-Backbone interact. energy: -1.341 local terms energy: -375.345744 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -89.125 flat angles C4'-P-C4' energy: -96.522 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -51.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -588.055024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.055024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.055024 (E_RNA) where: Base-Base interactions energy: -308.240 where: short stacking energy: -148.530 Base-Backbone interact. energy: -1.313 local terms energy: -278.501754 where: bonds (distance) C4'-P energy: -98.046 bonds (distance) P-C4' energy: -86.451 flat angles C4'-P-C4' energy: -79.447 flat angles P-C4'-P energy: -24.662 tors. eta vs tors. theta energy: 10.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1897.167187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.167187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.167187 (E_RNA) where: Base-Base interactions energy: -1308.391 where: short stacking energy: -534.964 Base-Backbone interact. energy: -1.948 local terms energy: -586.828028 where: bonds (distance) C4'-P energy: -106.861 bonds (distance) P-C4' energy: -108.561 flat angles C4'-P-C4' energy: -124.376 flat angles P-C4'-P energy: -83.741 tors. eta vs tors. theta energy: -163.289 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: 103 Temperature: 0.950000 Total energy: -1769.710684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.710684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.710684 (E_RNA) where: Base-Base interactions energy: -1210.290 where: short stacking energy: -530.808 Base-Backbone interact. energy: -0.264 local terms energy: -559.156414 where: bonds (distance) C4'-P energy: -104.749 bonds (distance) P-C4' energy: -103.478 flat angles C4'-P-C4' energy: -105.114 flat angles P-C4'-P energy: -83.495 tors. eta vs tors. theta energy: -162.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1684.237747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.237747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.237747 (E_RNA) where: Base-Base interactions energy: -1134.564 where: short stacking energy: -511.006 Base-Backbone interact. energy: -3.087 local terms energy: -546.587363 where: bonds (distance) C4'-P energy: -100.841 bonds (distance) P-C4' energy: -98.763 flat angles C4'-P-C4' energy: -119.720 flat angles P-C4'-P energy: -83.034 tors. eta vs tors. theta energy: -144.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1636.936828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.936828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.936828 (E_RNA) where: Base-Base interactions energy: -1102.804 where: short stacking energy: -457.933 Base-Backbone interact. energy: -4.053 local terms energy: -530.079450 where: bonds (distance) C4'-P energy: -110.204 bonds (distance) P-C4' energy: -90.466 flat angles C4'-P-C4' energy: -113.029 flat angles P-C4'-P energy: -80.641 tors. eta vs tors. theta energy: -135.740 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: 5 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1593.844145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.844145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.844145 (E_RNA) where: Base-Base interactions energy: -1080.288 where: short stacking energy: -472.769 Base-Backbone interact. energy: -0.546 local terms energy: -513.010755 where: bonds (distance) C4'-P energy: -103.885 bonds (distance) P-C4' energy: -99.687 flat angles C4'-P-C4' energy: -107.459 flat angles P-C4'-P energy: -78.448 tors. eta vs tors. theta energy: -123.532 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: 103 Temperature: 1.150000 Total energy: -1471.763575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.763575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.763575 (E_RNA) where: Base-Base interactions energy: -991.899 where: short stacking energy: -416.533 Base-Backbone interact. energy: -0.309 local terms energy: -479.555578 where: bonds (distance) C4'-P energy: -91.836 bonds (distance) P-C4' energy: -94.468 flat angles C4'-P-C4' energy: -107.308 flat angles P-C4'-P energy: -70.133 tors. eta vs tors. theta energy: -115.811 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: 2 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1413.024759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.024759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.024759 (E_RNA) where: Base-Base interactions energy: -917.383 where: short stacking energy: -387.324 Base-Backbone interact. energy: -0.110 local terms energy: -495.531181 where: bonds (distance) C4'-P energy: -92.390 bonds (distance) P-C4' energy: -98.192 flat angles C4'-P-C4' energy: -114.013 flat angles P-C4'-P energy: -78.467 tors. eta vs tors. theta energy: -112.468 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: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1192.361507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.361507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.361507 (E_RNA) where: Base-Base interactions energy: -780.887 where: short stacking energy: -332.426 Base-Backbone interact. energy: -2.537 local terms energy: -408.937276 where: bonds (distance) C4'-P energy: -89.239 bonds (distance) P-C4' energy: -69.989 flat angles C4'-P-C4' energy: -104.468 flat angles P-C4'-P energy: -59.010 tors. eta vs tors. theta energy: -86.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1032.900540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.900540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.900540 (E_RNA) where: Base-Base interactions energy: -651.597 where: short stacking energy: -272.702 Base-Backbone interact. energy: 0.328 local terms energy: -381.631349 where: bonds (distance) C4'-P energy: -90.736 bonds (distance) P-C4' energy: -80.921 flat angles C4'-P-C4' energy: -99.769 flat angles P-C4'-P energy: -52.072 tors. eta vs tors. theta energy: -58.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -609.516990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.516990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.516990 (E_RNA) where: Base-Base interactions energy: -315.974 where: short stacking energy: -174.728 Base-Backbone interact. energy: -0.942 local terms energy: -292.601306 where: bonds (distance) C4'-P energy: -81.718 bonds (distance) P-C4' energy: -99.570 flat angles C4'-P-C4' energy: -66.334 flat angles P-C4'-P energy: -40.038 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1916.879921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.879921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.879921 (E_RNA) where: Base-Base interactions energy: -1324.734 where: short stacking energy: -550.770 Base-Backbone interact. energy: -2.885 local terms energy: -589.260594 where: bonds (distance) C4'-P energy: -108.784 bonds (distance) P-C4' energy: -112.131 flat angles C4'-P-C4' energy: -120.997 flat angles P-C4'-P energy: -81.253 tors. eta vs tors. theta energy: -166.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1783.598700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.598700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.598700 (E_RNA) where: Base-Base interactions energy: -1222.928 where: short stacking energy: -505.840 Base-Backbone interact. energy: -1.642 local terms energy: -559.028884 where: bonds (distance) C4'-P energy: -100.248 bonds (distance) P-C4' energy: -109.905 flat angles C4'-P-C4' energy: -116.348 flat angles P-C4'-P energy: -86.777 tors. eta vs tors. theta energy: -145.750 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: 7 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1671.340636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.340636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.340636 (E_RNA) where: Base-Base interactions energy: -1127.121 where: short stacking energy: -491.543 Base-Backbone interact. energy: -0.157 local terms energy: -544.062553 where: bonds (distance) C4'-P energy: -104.177 bonds (distance) P-C4' energy: -109.422 flat angles C4'-P-C4' energy: -110.830 flat angles P-C4'-P energy: -75.597 tors. eta vs tors. theta energy: -144.036 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: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1620.733606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.733606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.733606 (E_RNA) where: Base-Base interactions energy: -1105.072 where: short stacking energy: -442.575 Base-Backbone interact. energy: -0.867 local terms energy: -514.793683 where: bonds (distance) C4'-P energy: -93.006 bonds (distance) P-C4' energy: -102.488 flat angles C4'-P-C4' energy: -126.619 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: -121.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1571.156695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.156695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.156695 (E_RNA) where: Base-Base interactions energy: -1076.124 where: short stacking energy: -459.993 Base-Backbone interact. energy: -1.962 local terms energy: -493.071181 where: bonds (distance) C4'-P energy: -78.890 bonds (distance) P-C4' energy: -99.046 flat angles C4'-P-C4' energy: -113.601 flat angles P-C4'-P energy: -74.891 tors. eta vs tors. theta energy: -126.644 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: 104 Temperature: 1.150000 Total energy: -1477.752559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.752559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.752559 (E_RNA) where: Base-Base interactions energy: -1014.785 where: short stacking energy: -400.409 Base-Backbone interact. energy: -2.356 local terms energy: -460.612139 where: bonds (distance) C4'-P energy: -93.987 bonds (distance) P-C4' energy: -108.407 flat angles C4'-P-C4' energy: -103.063 flat angles P-C4'-P energy: -58.870 tors. eta vs tors. theta energy: -96.285 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: 104 Temperature: 1.200000 Total energy: -1421.555904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.555904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.555904 (E_RNA) where: Base-Base interactions energy: -947.353 where: short stacking energy: -397.312 Base-Backbone interact. energy: -2.517 local terms energy: -471.685877 where: bonds (distance) C4'-P energy: -81.343 bonds (distance) P-C4' energy: -106.754 flat angles C4'-P-C4' energy: -111.978 flat angles P-C4'-P energy: -65.470 tors. eta vs tors. theta energy: -106.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1230.270953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.270953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.270953 (E_RNA) where: Base-Base interactions energy: -817.350 where: short stacking energy: -358.277 Base-Backbone interact. energy: 0.105 local terms energy: -413.025614 where: bonds (distance) C4'-P energy: -77.401 bonds (distance) P-C4' energy: -101.396 flat angles C4'-P-C4' energy: -89.517 flat angles P-C4'-P energy: -64.402 tors. eta vs tors. theta energy: -80.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -983.475677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.475677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.475677 (E_RNA) where: Base-Base interactions energy: -622.814 where: short stacking energy: -272.358 Base-Backbone interact. energy: -0.651 local terms energy: -360.010589 where: bonds (distance) C4'-P energy: -92.095 bonds (distance) P-C4' energy: -87.416 flat angles C4'-P-C4' energy: -89.983 flat angles P-C4'-P energy: -53.637 tors. eta vs tors. theta energy: -36.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -641.537753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.537753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.537753 (E_RNA) where: Base-Base interactions energy: -328.436 where: short stacking energy: -189.774 Base-Backbone interact. energy: 6.958 local terms energy: -320.059639 where: bonds (distance) C4'-P energy: -92.382 bonds (distance) P-C4' energy: -95.837 flat angles C4'-P-C4' energy: -73.491 flat angles P-C4'-P energy: -45.413 tors. eta vs tors. theta energy: -12.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1910.014665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.014665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.014665 (E_RNA) where: Base-Base interactions energy: -1321.948 where: short stacking energy: -537.667 Base-Backbone interact. energy: -2.716 local terms energy: -585.350451 where: bonds (distance) C4'-P energy: -107.045 bonds (distance) P-C4' energy: -118.882 flat angles C4'-P-C4' energy: -119.278 flat angles P-C4'-P energy: -80.417 tors. eta vs tors. theta energy: -159.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1774.742017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.742017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.742017 (E_RNA) where: Base-Base interactions energy: -1221.666 where: short stacking energy: -496.582 Base-Backbone interact. energy: -2.411 local terms energy: -550.665144 where: bonds (distance) C4'-P energy: -115.342 bonds (distance) P-C4' energy: -102.733 flat angles C4'-P-C4' energy: -115.415 flat angles P-C4'-P energy: -72.411 tors. eta vs tors. theta energy: -144.764 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: 7 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1660.089754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.089754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.089754 (E_RNA) where: Base-Base interactions energy: -1151.718 where: short stacking energy: -523.537 Base-Backbone interact. energy: -1.487 local terms energy: -506.884262 where: bonds (distance) C4'-P energy: -100.932 bonds (distance) P-C4' energy: -96.242 flat angles C4'-P-C4' energy: -104.985 flat angles P-C4'-P energy: -64.124 tors. eta vs tors. theta energy: -140.601 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: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1671.487388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.487388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.487388 (E_RNA) where: Base-Base interactions energy: -1156.261 where: short stacking energy: -492.159 Base-Backbone interact. energy: -1.499 local terms energy: -513.727954 where: bonds (distance) C4'-P energy: -89.486 bonds (distance) P-C4' energy: -98.997 flat angles C4'-P-C4' energy: -115.932 flat angles P-C4'-P energy: -65.417 tors. eta vs tors. theta energy: -143.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1615.594747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.594747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.594747 (E_RNA) where: Base-Base interactions energy: -1096.072 where: short stacking energy: -454.852 Base-Backbone interact. energy: -1.162 local terms energy: -518.361033 where: bonds (distance) C4'-P energy: -100.319 bonds (distance) P-C4' energy: -104.188 flat angles C4'-P-C4' energy: -119.194 flat angles P-C4'-P energy: -68.882 tors. eta vs tors. theta energy: -125.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1440.695615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.695615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.695615 (E_RNA) where: Base-Base interactions energy: -968.037 where: short stacking energy: -373.803 Base-Backbone interact. energy: -2.128 local terms energy: -470.531245 where: bonds (distance) C4'-P energy: -105.929 bonds (distance) P-C4' energy: -104.354 flat angles C4'-P-C4' energy: -95.378 flat angles P-C4'-P energy: -64.140 tors. eta vs tors. theta energy: -100.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1409.621684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.621684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.621684 (E_RNA) where: Base-Base interactions energy: -956.647 where: short stacking energy: -378.850 Base-Backbone interact. energy: 1.669 local terms energy: -454.644133 where: bonds (distance) C4'-P energy: -102.240 bonds (distance) P-C4' energy: -103.700 flat angles C4'-P-C4' energy: -89.895 flat angles P-C4'-P energy: -60.589 tors. eta vs tors. theta energy: -98.220 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: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1189.751284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.751284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.751284 (E_RNA) where: Base-Base interactions energy: -784.100 where: short stacking energy: -349.203 Base-Backbone interact. energy: 0.515 local terms energy: -406.165584 where: bonds (distance) C4'-P energy: -92.133 bonds (distance) P-C4' energy: -90.868 flat angles C4'-P-C4' energy: -99.735 flat angles P-C4'-P energy: -44.500 tors. eta vs tors. theta energy: -78.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1057.023125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.023125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.023125 (E_RNA) where: Base-Base interactions energy: -684.452 where: short stacking energy: -303.502 Base-Backbone interact. energy: 0.647 local terms energy: -373.218548 where: bonds (distance) C4'-P energy: -93.543 bonds (distance) P-C4' energy: -99.978 flat angles C4'-P-C4' energy: -80.466 flat angles P-C4'-P energy: -39.861 tors. eta vs tors. theta energy: -59.370 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: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -644.605277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.605277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.605277 (E_RNA) where: Base-Base interactions energy: -361.748 where: short stacking energy: -186.409 Base-Backbone interact. energy: 0.034 local terms energy: -282.891174 where: bonds (distance) C4'-P energy: -79.782 bonds (distance) P-C4' energy: -81.150 flat angles C4'-P-C4' energy: -77.371 flat angles P-C4'-P energy: -43.569 tors. eta vs tors. theta energy: -1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1904.133484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.133484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.133484 (E_RNA) where: Base-Base interactions energy: -1326.141 where: short stacking energy: -550.163 Base-Backbone interact. energy: -4.430 local terms energy: -573.562085 where: bonds (distance) C4'-P energy: -95.272 bonds (distance) P-C4' energy: -111.582 flat angles C4'-P-C4' energy: -125.544 flat angles P-C4'-P energy: -82.043 tors. eta vs tors. theta energy: -159.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1782.131624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.131624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.131624 (E_RNA) where: Base-Base interactions energy: -1216.001 where: short stacking energy: -499.877 Base-Backbone interact. energy: 4.031 local terms energy: -570.161550 where: bonds (distance) C4'-P energy: -99.570 bonds (distance) P-C4' energy: -106.638 flat angles C4'-P-C4' energy: -127.991 flat angles P-C4'-P energy: -79.001 tors. eta vs tors. theta energy: -156.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1682.293968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.293968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.293968 (E_RNA) where: Base-Base interactions energy: -1145.957 where: short stacking energy: -487.750 Base-Backbone interact. energy: -2.635 local terms energy: -533.702361 where: bonds (distance) C4'-P energy: -108.343 bonds (distance) P-C4' energy: -98.077 flat angles C4'-P-C4' energy: -119.085 flat angles P-C4'-P energy: -69.469 tors. eta vs tors. theta energy: -138.728 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: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1645.013930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.013930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.013930 (E_RNA) where: Base-Base interactions energy: -1136.138 where: short stacking energy: -478.029 Base-Backbone interact. energy: 5.751 local terms energy: -514.626772 where: bonds (distance) C4'-P energy: -95.846 bonds (distance) P-C4' energy: -108.648 flat angles C4'-P-C4' energy: -101.667 flat angles P-C4'-P energy: -69.184 tors. eta vs tors. theta energy: -139.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1557.958137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.958137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.958137 (E_RNA) where: Base-Base interactions energy: -1082.454 where: short stacking energy: -448.732 Base-Backbone interact. energy: 1.429 local terms energy: -476.932396 where: bonds (distance) C4'-P energy: -90.366 bonds (distance) P-C4' energy: -94.495 flat angles C4'-P-C4' energy: -92.598 flat angles P-C4'-P energy: -75.422 tors. eta vs tors. theta energy: -124.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1461.937964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.937964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.937964 (E_RNA) where: Base-Base interactions energy: -1000.731 where: short stacking energy: -415.041 Base-Backbone interact. energy: -3.489 local terms energy: -457.718465 where: bonds (distance) C4'-P energy: -92.880 bonds (distance) P-C4' energy: -94.019 flat angles C4'-P-C4' energy: -101.710 flat angles P-C4'-P energy: -63.478 tors. eta vs tors. theta energy: -105.632 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: 7, replica: 2 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1380.895625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.895625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.895625 (E_RNA) where: Base-Base interactions energy: -941.383 where: short stacking energy: -394.207 Base-Backbone interact. energy: -4.058 local terms energy: -435.454614 where: bonds (distance) C4'-P energy: -81.730 bonds (distance) P-C4' energy: -83.013 flat angles C4'-P-C4' energy: -107.259 flat angles P-C4'-P energy: -64.277 tors. eta vs tors. theta energy: -99.176 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: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1196.889048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.889048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.889048 (E_RNA) where: Base-Base interactions energy: -781.000 where: short stacking energy: -352.784 Base-Backbone interact. energy: -1.706 local terms energy: -414.183537 where: bonds (distance) C4'-P energy: -91.139 bonds (distance) P-C4' energy: -86.817 flat angles C4'-P-C4' energy: -100.987 flat angles P-C4'-P energy: -64.684 tors. eta vs tors. theta energy: -70.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1017.717391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.717391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.717391 (E_RNA) where: Base-Base interactions energy: -669.391 where: short stacking energy: -290.329 Base-Backbone interact. energy: -0.519 local terms energy: -347.807294 where: bonds (distance) C4'-P energy: -84.050 bonds (distance) P-C4' energy: -98.756 flat angles C4'-P-C4' energy: -68.739 flat angles P-C4'-P energy: -52.883 tors. eta vs tors. theta energy: -43.379 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: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -670.614922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.614922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.614922 (E_RNA) where: Base-Base interactions energy: -343.316 where: short stacking energy: -187.074 Base-Backbone interact. energy: -2.267 local terms energy: -325.031448 where: bonds (distance) C4'-P energy: -98.948 bonds (distance) P-C4' energy: -92.811 flat angles C4'-P-C4' energy: -71.979 flat angles P-C4'-P energy: -53.683 tors. eta vs tors. theta energy: -7.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1882.562333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.562333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.562333 (E_RNA) where: Base-Base interactions energy: -1293.166 where: short stacking energy: -533.619 Base-Backbone interact. energy: -2.984 local terms energy: -586.411904 where: bonds (distance) C4'-P energy: -108.096 bonds (distance) P-C4' energy: -103.912 flat angles C4'-P-C4' energy: -122.995 flat angles P-C4'-P energy: -85.513 tors. eta vs tors. theta energy: -165.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1771.900443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.900443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.900443 (E_RNA) where: Base-Base interactions energy: -1221.139 where: short stacking energy: -511.508 Base-Backbone interact. energy: 0.897 local terms energy: -551.659151 where: bonds (distance) C4'-P energy: -98.875 bonds (distance) P-C4' energy: -113.987 flat angles C4'-P-C4' energy: -117.079 flat angles P-C4'-P energy: -72.028 tors. eta vs tors. theta energy: -149.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1694.137335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.137335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.137335 (E_RNA) where: Base-Base interactions energy: -1159.586 where: short stacking energy: -496.918 Base-Backbone interact. energy: 2.604 local terms energy: -537.155304 where: bonds (distance) C4'-P energy: -102.063 bonds (distance) P-C4' energy: -104.316 flat angles C4'-P-C4' energy: -103.986 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -145.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1639.825283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.825283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.825283 (E_RNA) where: Base-Base interactions energy: -1112.812 where: short stacking energy: -470.680 Base-Backbone interact. energy: -3.938 local terms energy: -523.075441 where: bonds (distance) C4'-P energy: -106.474 bonds (distance) P-C4' energy: -102.357 flat angles C4'-P-C4' energy: -118.159 flat angles P-C4'-P energy: -72.398 tors. eta vs tors. theta energy: -123.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1544.009608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.009608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.009608 (E_RNA) where: Base-Base interactions energy: -1048.508 where: short stacking energy: -438.273 Base-Backbone interact. energy: -1.375 local terms energy: -494.126239 where: bonds (distance) C4'-P energy: -101.444 bonds (distance) P-C4' energy: -93.605 flat angles C4'-P-C4' energy: -95.647 flat angles P-C4'-P energy: -79.650 tors. eta vs tors. theta energy: -123.780 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: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1507.969666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.969666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.969666 (E_RNA) where: Base-Base interactions energy: -1037.802 where: short stacking energy: -413.752 Base-Backbone interact. energy: -1.716 local terms energy: -468.452105 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -98.742 flat angles C4'-P-C4' energy: -95.654 flat angles P-C4'-P energy: -67.490 tors. eta vs tors. theta energy: -116.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1386.690872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.690872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.690872 (E_RNA) where: Base-Base interactions energy: -953.290 where: short stacking energy: -378.430 Base-Backbone interact. energy: 0.855 local terms energy: -434.255799 where: bonds (distance) C4'-P energy: -79.065 bonds (distance) P-C4' energy: -89.270 flat angles C4'-P-C4' energy: -107.674 flat angles P-C4'-P energy: -60.336 tors. eta vs tors. theta energy: -97.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1181.587061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.587061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.587061 (E_RNA) where: Base-Base interactions energy: -790.718 where: short stacking energy: -330.580 Base-Backbone interact. energy: 0.728 local terms energy: -391.597957 where: bonds (distance) C4'-P energy: -78.693 bonds (distance) P-C4' energy: -96.737 flat angles C4'-P-C4' energy: -91.340 flat angles P-C4'-P energy: -58.745 tors. eta vs tors. theta energy: -66.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1028.418582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.418582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.418582 (E_RNA) where: Base-Base interactions energy: -672.532 where: short stacking energy: -291.569 Base-Backbone interact. energy: -1.454 local terms energy: -354.432669 where: bonds (distance) C4'-P energy: -72.146 bonds (distance) P-C4' energy: -92.226 flat angles C4'-P-C4' energy: -79.805 flat angles P-C4'-P energy: -52.456 tors. eta vs tors. theta energy: -57.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -696.019968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.019968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.019968 (E_RNA) where: Base-Base interactions energy: -394.814 where: short stacking energy: -197.979 Base-Backbone interact. energy: 1.034 local terms energy: -302.239973 where: bonds (distance) C4'-P energy: -86.229 bonds (distance) P-C4' energy: -88.014 flat angles C4'-P-C4' energy: -66.530 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -15.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1876.383227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.383227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.383227 (E_RNA) where: Base-Base interactions energy: -1307.137 where: short stacking energy: -518.215 Base-Backbone interact. energy: -1.413 local terms energy: -567.832547 where: bonds (distance) C4'-P energy: -111.253 bonds (distance) P-C4' energy: -109.773 flat angles C4'-P-C4' energy: -118.824 flat angles P-C4'-P energy: -75.767 tors. eta vs tors. theta energy: -152.215 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: 108 Temperature: 0.950000 Total energy: -1775.378285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.378285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.378285 (E_RNA) where: Base-Base interactions energy: -1224.279 where: short stacking energy: -544.384 Base-Backbone interact. energy: -1.535 local terms energy: -549.564947 where: bonds (distance) C4'-P energy: -94.941 bonds (distance) P-C4' energy: -96.757 flat angles C4'-P-C4' energy: -116.387 flat angles P-C4'-P energy: -89.025 tors. eta vs tors. theta energy: -152.456 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: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1698.894994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.894994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.894994 (E_RNA) where: Base-Base interactions energy: -1179.642 where: short stacking energy: -541.126 Base-Backbone interact. energy: -1.228 local terms energy: -518.024282 where: bonds (distance) C4'-P energy: -92.617 bonds (distance) P-C4' energy: -100.302 flat angles C4'-P-C4' energy: -111.675 flat angles P-C4'-P energy: -69.662 tors. eta vs tors. theta energy: -143.768 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: 4, replica: 4 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1621.215068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.215068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.215068 (E_RNA) where: Base-Base interactions energy: -1119.279 where: short stacking energy: -486.834 Base-Backbone interact. energy: -2.380 local terms energy: -499.555947 where: bonds (distance) C4'-P energy: -96.897 bonds (distance) P-C4' energy: -95.373 flat angles C4'-P-C4' energy: -112.106 flat angles P-C4'-P energy: -64.100 tors. eta vs tors. theta energy: -131.081 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: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1552.711354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.711354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.711354 (E_RNA) where: Base-Base interactions energy: -1068.138 where: short stacking energy: -463.243 Base-Backbone interact. energy: -0.594 local terms energy: -483.979604 where: bonds (distance) C4'-P energy: -104.675 bonds (distance) P-C4' energy: -97.570 flat angles C4'-P-C4' energy: -105.258 flat angles P-C4'-P energy: -73.175 tors. eta vs tors. theta energy: -103.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1585.652238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.652238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.652238 (E_RNA) where: Base-Base interactions energy: -1090.183 where: short stacking energy: -443.925 Base-Backbone interact. energy: -1.686 local terms energy: -493.782904 where: bonds (distance) C4'-P energy: -96.318 bonds (distance) P-C4' energy: -95.838 flat angles C4'-P-C4' energy: -112.465 flat angles P-C4'-P energy: -71.495 tors. eta vs tors. theta energy: -117.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1434.106639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.106639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.106639 (E_RNA) where: Base-Base interactions energy: -971.318 where: short stacking energy: -384.648 Base-Backbone interact. energy: -4.853 local terms energy: -457.936233 where: bonds (distance) C4'-P energy: -84.910 bonds (distance) P-C4' energy: -107.967 flat angles C4'-P-C4' energy: -104.768 flat angles P-C4'-P energy: -56.319 tors. eta vs tors. theta energy: -103.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1225.480829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.480829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.480829 (E_RNA) where: Base-Base interactions energy: -849.451 where: short stacking energy: -372.917 Base-Backbone interact. energy: 7.459 local terms energy: -383.488638 where: bonds (distance) C4'-P energy: -89.655 bonds (distance) P-C4' energy: -86.419 flat angles C4'-P-C4' energy: -80.986 flat angles P-C4'-P energy: -55.233 tors. eta vs tors. theta energy: -71.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1093.378540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.378540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.378540 (E_RNA) where: Base-Base interactions energy: -693.221 where: short stacking energy: -305.776 Base-Backbone interact. energy: -1.833 local terms energy: -398.324444 where: bonds (distance) C4'-P energy: -87.630 bonds (distance) P-C4' energy: -102.591 flat angles C4'-P-C4' energy: -85.344 flat angles P-C4'-P energy: -57.498 tors. eta vs tors. theta energy: -65.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -682.278518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.278518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.278518 (E_RNA) where: Base-Base interactions energy: -359.499 where: short stacking energy: -199.097 Base-Backbone interact. energy: 3.443 local terms energy: -326.222686 where: bonds (distance) C4'-P energy: -90.125 bonds (distance) P-C4' energy: -95.447 flat angles C4'-P-C4' energy: -80.297 flat angles P-C4'-P energy: -41.038 tors. eta vs tors. theta energy: -19.315 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: 109 Temperature: 0.900000 Total energy: -1863.842394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.842394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.842394 (E_RNA) where: Base-Base interactions energy: -1278.209 where: short stacking energy: -535.142 Base-Backbone interact. energy: -4.134 local terms energy: -581.499644 where: bonds (distance) C4'-P energy: -110.573 bonds (distance) P-C4' energy: -103.946 flat angles C4'-P-C4' energy: -130.473 flat angles P-C4'-P energy: -83.534 tors. eta vs tors. theta energy: -152.975 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: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1785.068150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.068150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.068150 (E_RNA) where: Base-Base interactions energy: -1228.302 where: short stacking energy: -524.559 Base-Backbone interact. energy: -1.034 local terms energy: -555.731803 where: bonds (distance) C4'-P energy: -105.196 bonds (distance) P-C4' energy: -109.980 flat angles C4'-P-C4' energy: -102.176 flat angles P-C4'-P energy: -83.182 tors. eta vs tors. theta energy: -155.197 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: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1705.529491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.529491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.529491 (E_RNA) where: Base-Base interactions energy: -1144.313 where: short stacking energy: -501.567 Base-Backbone interact. energy: 1.965 local terms energy: -563.181194 where: bonds (distance) C4'-P energy: -92.485 bonds (distance) P-C4' energy: -117.738 flat angles C4'-P-C4' energy: -120.702 flat angles P-C4'-P energy: -84.246 tors. eta vs tors. theta energy: -148.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1637.969934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.969934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.969934 (E_RNA) where: Base-Base interactions energy: -1112.266 where: short stacking energy: -472.001 Base-Backbone interact. energy: -0.517 local terms energy: -525.187431 where: bonds (distance) C4'-P energy: -100.912 bonds (distance) P-C4' energy: -105.857 flat angles C4'-P-C4' energy: -107.572 flat angles P-C4'-P energy: -75.152 tors. eta vs tors. theta energy: -135.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1474.292226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.292226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.292226 (E_RNA) where: Base-Base interactions energy: -1031.079 where: short stacking energy: -419.605 Base-Backbone interact. energy: 1.260 local terms energy: -444.473671 where: bonds (distance) C4'-P energy: -72.388 bonds (distance) P-C4' energy: -103.296 flat angles C4'-P-C4' energy: -93.884 flat angles P-C4'-P energy: -69.295 tors. eta vs tors. theta energy: -105.611 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: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1523.265748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.265748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.265748 (E_RNA) where: Base-Base interactions energy: -1020.806 where: short stacking energy: -434.419 Base-Backbone interact. energy: -3.605 local terms energy: -498.854763 where: bonds (distance) C4'-P energy: -99.632 bonds (distance) P-C4' energy: -92.203 flat angles C4'-P-C4' energy: -114.669 flat angles P-C4'-P energy: -71.170 tors. eta vs tors. theta energy: -121.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1409.193322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.193322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.193322 (E_RNA) where: Base-Base interactions energy: -952.639 where: short stacking energy: -375.302 Base-Backbone interact. energy: -2.141 local terms energy: -454.413543 where: bonds (distance) C4'-P energy: -92.324 bonds (distance) P-C4' energy: -113.608 flat angles C4'-P-C4' energy: -103.948 flat angles P-C4'-P energy: -55.540 tors. eta vs tors. theta energy: -88.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1148.787678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.787678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.787678 (E_RNA) where: Base-Base interactions energy: -754.092 where: short stacking energy: -349.827 Base-Backbone interact. energy: -1.850 local terms energy: -392.846151 where: bonds (distance) C4'-P energy: -83.128 bonds (distance) P-C4' energy: -84.682 flat angles C4'-P-C4' energy: -90.652 flat angles P-C4'-P energy: -60.530 tors. eta vs tors. theta energy: -73.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1036.026140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.026140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.026140 (E_RNA) where: Base-Base interactions energy: -654.401 where: short stacking energy: -287.861 Base-Backbone interact. energy: 0.433 local terms energy: -382.058325 where: bonds (distance) C4'-P energy: -85.422 bonds (distance) P-C4' energy: -109.066 flat angles C4'-P-C4' energy: -96.070 flat angles P-C4'-P energy: -49.716 tors. eta vs tors. theta energy: -41.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -685.635693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.635693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.635693 (E_RNA) where: Base-Base interactions energy: -381.241 where: short stacking energy: -205.236 Base-Backbone interact. energy: -1.300 local terms energy: -303.094805 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -79.241 flat angles C4'-P-C4' energy: -87.534 flat angles P-C4'-P energy: -49.795 tors. eta vs tors. theta energy: -7.180 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: 110 Temperature: 0.900000 Total energy: -1858.769149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.769149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.769149 (E_RNA) where: Base-Base interactions energy: -1272.859 where: short stacking energy: -550.602 Base-Backbone interact. energy: -4.972 local terms energy: -580.937941 where: bonds (distance) C4'-P energy: -115.728 bonds (distance) P-C4' energy: -107.112 flat angles C4'-P-C4' energy: -128.723 flat angles P-C4'-P energy: -69.149 tors. eta vs tors. theta energy: -160.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1775.376452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.376452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.376452 (E_RNA) where: Base-Base interactions energy: -1231.492 where: short stacking energy: -503.184 Base-Backbone interact. energy: -3.842 local terms energy: -540.042088 where: bonds (distance) C4'-P energy: -103.964 bonds (distance) P-C4' energy: -112.410 flat angles C4'-P-C4' energy: -114.534 flat angles P-C4'-P energy: -63.635 tors. eta vs tors. theta energy: -145.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1727.075858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.075858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.075858 (E_RNA) where: Base-Base interactions energy: -1160.207 where: short stacking energy: -525.235 Base-Backbone interact. energy: -2.766 local terms energy: -564.102633 where: bonds (distance) C4'-P energy: -102.960 bonds (distance) P-C4' energy: -104.703 flat angles C4'-P-C4' energy: -118.432 flat angles P-C4'-P energy: -82.422 tors. eta vs tors. theta energy: -155.585 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: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1651.030286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.030286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.030286 (E_RNA) where: Base-Base interactions energy: -1136.275 where: short stacking energy: -460.296 Base-Backbone interact. energy: -0.686 local terms energy: -514.069205 where: bonds (distance) C4'-P energy: -95.128 bonds (distance) P-C4' energy: -103.050 flat angles C4'-P-C4' energy: -122.006 flat angles P-C4'-P energy: -67.556 tors. eta vs tors. theta energy: -126.329 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: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1598.928679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.928679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.928679 (E_RNA) where: Base-Base interactions energy: -1116.993 where: short stacking energy: -482.209 Base-Backbone interact. energy: -2.543 local terms energy: -479.393623 where: bonds (distance) C4'-P energy: -80.299 bonds (distance) P-C4' energy: -110.785 flat angles C4'-P-C4' energy: -101.091 flat angles P-C4'-P energy: -63.226 tors. eta vs tors. theta energy: -123.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1461.530699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.530699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.530699 (E_RNA) where: Base-Base interactions energy: -1010.621 where: short stacking energy: -426.072 Base-Backbone interact. energy: 2.027 local terms energy: -452.936856 where: bonds (distance) C4'-P energy: -86.583 bonds (distance) P-C4' energy: -109.564 flat angles C4'-P-C4' energy: -98.607 flat angles P-C4'-P energy: -56.491 tors. eta vs tors. theta energy: -101.692 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: 110 Temperature: 1.200000 Total energy: -1373.252875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.252875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.252875 (E_RNA) where: Base-Base interactions energy: -909.790 where: short stacking energy: -391.795 Base-Backbone interact. energy: -1.920 local terms energy: -461.542793 where: bonds (distance) C4'-P energy: -98.931 bonds (distance) P-C4' energy: -101.164 flat angles C4'-P-C4' energy: -108.903 flat angles P-C4'-P energy: -49.384 tors. eta vs tors. theta energy: -103.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1228.206276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.206276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.206276 (E_RNA) where: Base-Base interactions energy: -822.465 where: short stacking energy: -331.960 Base-Backbone interact. energy: 7.845 local terms energy: -413.586315 where: bonds (distance) C4'-P energy: -89.426 bonds (distance) P-C4' energy: -99.626 flat angles C4'-P-C4' energy: -93.645 flat angles P-C4'-P energy: -57.502 tors. eta vs tors. theta energy: -73.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -959.302783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.302783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.302783 (E_RNA) where: Base-Base interactions energy: -591.985 where: short stacking energy: -277.745 Base-Backbone interact. energy: 2.234 local terms energy: -369.550942 where: bonds (distance) C4'-P energy: -88.330 bonds (distance) P-C4' energy: -93.204 flat angles C4'-P-C4' energy: -95.582 flat angles P-C4'-P energy: -53.075 tors. eta vs tors. theta energy: -39.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -674.724738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.724738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.724738 (E_RNA) where: Base-Base interactions energy: -341.340 where: short stacking energy: -208.058 Base-Backbone interact. energy: 1.246 local terms energy: -334.630426 where: bonds (distance) C4'-P energy: -81.633 bonds (distance) P-C4' energy: -99.646 flat angles C4'-P-C4' energy: -79.006 flat angles P-C4'-P energy: -49.426 tors. eta vs tors. theta energy: -24.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1867.388445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.388445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.388445 (E_RNA) where: Base-Base interactions energy: -1299.186 where: short stacking energy: -548.391 Base-Backbone interact. energy: -3.641 local terms energy: -564.561991 where: bonds (distance) C4'-P energy: -94.930 bonds (distance) P-C4' energy: -99.983 flat angles C4'-P-C4' energy: -126.862 flat angles P-C4'-P energy: -93.696 tors. eta vs tors. theta energy: -149.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1757.590999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.590999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.590999 (E_RNA) where: Base-Base interactions energy: -1202.915 where: short stacking energy: -524.247 Base-Backbone interact. energy: -1.211 local terms energy: -553.464759 where: bonds (distance) C4'-P energy: -110.106 bonds (distance) P-C4' energy: -106.585 flat angles C4'-P-C4' energy: -108.647 flat angles P-C4'-P energy: -77.235 tors. eta vs tors. theta energy: -150.891 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: 7 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1731.779794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.779794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.779794 (E_RNA) where: Base-Base interactions energy: -1170.963 where: short stacking energy: -508.555 Base-Backbone interact. energy: -1.859 local terms energy: -558.958117 where: bonds (distance) C4'-P energy: -91.714 bonds (distance) P-C4' energy: -109.040 flat angles C4'-P-C4' energy: -118.070 flat angles P-C4'-P energy: -85.975 tors. eta vs tors. theta energy: -154.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1604.297008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.297008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.297008 (E_RNA) where: Base-Base interactions energy: -1103.728 where: short stacking energy: -466.803 Base-Backbone interact. energy: -3.301 local terms energy: -497.267654 where: bonds (distance) C4'-P energy: -111.439 bonds (distance) P-C4' energy: -91.232 flat angles C4'-P-C4' energy: -95.365 flat angles P-C4'-P energy: -68.228 tors. eta vs tors. theta energy: -131.004 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: 111 Temperature: 1.100000 Total energy: -1631.353859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.353859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.353859 (E_RNA) where: Base-Base interactions energy: -1136.473 where: short stacking energy: -462.956 Base-Backbone interact. energy: 5.627 local terms energy: -500.508107 where: bonds (distance) C4'-P energy: -105.790 bonds (distance) P-C4' energy: -97.609 flat angles C4'-P-C4' energy: -116.024 flat angles P-C4'-P energy: -60.069 tors. eta vs tors. theta energy: -121.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1449.892892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.892892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.892892 (E_RNA) where: Base-Base interactions energy: -985.636 where: short stacking energy: -390.256 Base-Backbone interact. energy: -2.083 local terms energy: -462.173037 where: bonds (distance) C4'-P energy: -97.149 bonds (distance) P-C4' energy: -90.188 flat angles C4'-P-C4' energy: -95.389 flat angles P-C4'-P energy: -70.168 tors. eta vs tors. theta energy: -109.279 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: 111 Temperature: 1.200000 Total energy: -1420.068491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.068491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.068491 (E_RNA) where: Base-Base interactions energy: -955.355 where: short stacking energy: -404.379 Base-Backbone interact. energy: 2.647 local terms energy: -467.361430 where: bonds (distance) C4'-P energy: -87.008 bonds (distance) P-C4' energy: -103.135 flat angles C4'-P-C4' energy: -109.228 flat angles P-C4'-P energy: -73.703 tors. eta vs tors. theta energy: -94.287 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: 10 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1215.784787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.784787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.784787 (E_RNA) where: Base-Base interactions energy: -811.627 where: short stacking energy: -353.859 Base-Backbone interact. energy: -2.610 local terms energy: -401.547863 where: bonds (distance) C4'-P energy: -85.705 bonds (distance) P-C4' energy: -93.508 flat angles C4'-P-C4' energy: -82.522 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -86.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -970.058887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.058887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.058887 (E_RNA) where: Base-Base interactions energy: -618.072 where: short stacking energy: -261.065 Base-Backbone interact. energy: -1.486 local terms energy: -350.501082 where: bonds (distance) C4'-P energy: -82.362 bonds (distance) P-C4' energy: -97.211 flat angles C4'-P-C4' energy: -95.231 flat angles P-C4'-P energy: -41.552 tors. eta vs tors. theta energy: -34.144 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: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -692.587484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.587484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.587484 (E_RNA) where: Base-Base interactions energy: -379.145 where: short stacking energy: -197.995 Base-Backbone interact. energy: 0.066 local terms energy: -313.508602 where: bonds (distance) C4'-P energy: -77.411 bonds (distance) P-C4' energy: -86.179 flat angles C4'-P-C4' energy: -89.407 flat angles P-C4'-P energy: -33.144 tors. eta vs tors. theta energy: -27.367 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: 112 Temperature: 0.900000 Total energy: -1847.098640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.098640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.098640 (E_RNA) where: Base-Base interactions energy: -1286.445 where: short stacking energy: -529.145 Base-Backbone interact. energy: -3.630 local terms energy: -557.023917 where: bonds (distance) C4'-P energy: -102.598 bonds (distance) P-C4' energy: -103.848 flat angles C4'-P-C4' energy: -117.023 flat angles P-C4'-P energy: -83.828 tors. eta vs tors. theta energy: -149.727 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: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1768.136994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.136994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.136994 (E_RNA) where: Base-Base interactions energy: -1219.383 where: short stacking energy: -506.832 Base-Backbone interact. energy: -3.054 local terms energy: -545.700054 where: bonds (distance) C4'-P energy: -99.007 bonds (distance) P-C4' energy: -110.076 flat angles C4'-P-C4' energy: -117.019 flat angles P-C4'-P energy: -77.842 tors. eta vs tors. theta energy: -141.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1714.725574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.725574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.725574 (E_RNA) where: Base-Base interactions energy: -1168.923 where: short stacking energy: -519.628 Base-Backbone interact. energy: -0.309 local terms energy: -545.494052 where: bonds (distance) C4'-P energy: -100.660 bonds (distance) P-C4' energy: -101.599 flat angles C4'-P-C4' energy: -111.893 flat angles P-C4'-P energy: -86.031 tors. eta vs tors. theta energy: -145.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1647.620355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.620355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.620355 (E_RNA) where: Base-Base interactions energy: -1125.060 where: short stacking energy: -497.071 Base-Backbone interact. energy: -0.523 local terms energy: -522.037624 where: bonds (distance) C4'-P energy: -96.238 bonds (distance) P-C4' energy: -97.652 flat angles C4'-P-C4' energy: -115.380 flat angles P-C4'-P energy: -72.363 tors. eta vs tors. theta energy: -140.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1628.586852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.586852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.586852 (E_RNA) where: Base-Base interactions energy: -1123.148 where: short stacking energy: -466.829 Base-Backbone interact. energy: -1.334 local terms energy: -504.104646 where: bonds (distance) C4'-P energy: -100.717 bonds (distance) P-C4' energy: -94.186 flat angles C4'-P-C4' energy: -109.356 flat angles P-C4'-P energy: -80.835 tors. eta vs tors. theta energy: -119.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1475.098366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.098366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.098366 (E_RNA) where: Base-Base interactions energy: -1028.214 where: short stacking energy: -442.886 Base-Backbone interact. energy: 1.331 local terms energy: -448.215593 where: bonds (distance) C4'-P energy: -81.561 bonds (distance) P-C4' energy: -99.406 flat angles C4'-P-C4' energy: -106.301 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -108.669 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: 7, replica: 2 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1417.938883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.938883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.938883 (E_RNA) where: Base-Base interactions energy: -963.242 where: short stacking energy: -388.000 Base-Backbone interact. energy: -2.536 local terms energy: -452.160647 where: bonds (distance) C4'-P energy: -94.840 bonds (distance) P-C4' energy: -88.843 flat angles C4'-P-C4' energy: -108.316 flat angles P-C4'-P energy: -68.651 tors. eta vs tors. theta energy: -91.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1202.474216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.474216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.474216 (E_RNA) where: Base-Base interactions energy: -788.740 where: short stacking energy: -350.305 Base-Backbone interact. energy: 0.710 local terms energy: -414.444486 where: bonds (distance) C4'-P energy: -100.559 bonds (distance) P-C4' energy: -93.435 flat angles C4'-P-C4' energy: -86.070 flat angles P-C4'-P energy: -59.329 tors. eta vs tors. theta energy: -75.051 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: 112 Temperature: 1.300000 Total energy: -927.096383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.096383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.096383 (E_RNA) where: Base-Base interactions energy: -568.723 where: short stacking energy: -255.894 Base-Backbone interact. energy: 3.168 local terms energy: -361.540882 where: bonds (distance) C4'-P energy: -80.023 bonds (distance) P-C4' energy: -100.688 flat angles C4'-P-C4' energy: -86.167 flat angles P-C4'-P energy: -58.566 tors. eta vs tors. theta energy: -36.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -680.396670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.396670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.396670 (E_RNA) where: Base-Base interactions energy: -368.187 where: short stacking energy: -167.871 Base-Backbone interact. energy: -1.190 local terms energy: -311.019545 where: bonds (distance) C4'-P energy: -92.276 bonds (distance) P-C4' energy: -89.891 flat angles C4'-P-C4' energy: -71.333 flat angles P-C4'-P energy: -50.948 tors. eta vs tors. theta energy: -6.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1876.548132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.548132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.548132 (E_RNA) where: Base-Base interactions energy: -1272.175 where: short stacking energy: -529.974 Base-Backbone interact. energy: -0.999 local terms energy: -603.373817 where: bonds (distance) C4'-P energy: -112.869 bonds (distance) P-C4' energy: -119.706 flat angles C4'-P-C4' energy: -127.617 flat angles P-C4'-P energy: -89.332 tors. eta vs tors. theta energy: -153.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1780.091030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.091030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.091030 (E_RNA) where: Base-Base interactions energy: -1225.491 where: short stacking energy: -507.856 Base-Backbone interact. energy: -3.241 local terms energy: -551.359186 where: bonds (distance) C4'-P energy: -115.868 bonds (distance) P-C4' energy: -105.500 flat angles C4'-P-C4' energy: -113.742 flat angles P-C4'-P energy: -75.122 tors. eta vs tors. theta energy: -141.127 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: 3, replica: 7 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1738.141147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.141147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.141147 (E_RNA) where: Base-Base interactions energy: -1204.921 where: short stacking energy: -527.352 Base-Backbone interact. energy: -0.639 local terms energy: -532.580960 where: bonds (distance) C4'-P energy: -90.952 bonds (distance) P-C4' energy: -101.365 flat angles C4'-P-C4' energy: -122.906 flat angles P-C4'-P energy: -78.323 tors. eta vs tors. theta energy: -139.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1668.067728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.067728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.067728 (E_RNA) where: Base-Base interactions energy: -1165.706 where: short stacking energy: -476.728 Base-Backbone interact. energy: 1.665 local terms energy: -504.026479 where: bonds (distance) C4'-P energy: -103.066 bonds (distance) P-C4' energy: -97.292 flat angles C4'-P-C4' energy: -95.096 flat angles P-C4'-P energy: -80.296 tors. eta vs tors. theta energy: -128.276 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: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1664.667250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.667250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.667250 (E_RNA) where: Base-Base interactions energy: -1143.734 where: short stacking energy: -477.018 Base-Backbone interact. energy: -3.000 local terms energy: -517.932706 where: bonds (distance) C4'-P energy: -108.751 bonds (distance) P-C4' energy: -96.843 flat angles C4'-P-C4' energy: -100.831 flat angles P-C4'-P energy: -71.942 tors. eta vs tors. theta energy: -139.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1494.781205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.781205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.781205 (E_RNA) where: Base-Base interactions energy: -1024.459 where: short stacking energy: -426.531 Base-Backbone interact. energy: 0.476 local terms energy: -470.798284 where: bonds (distance) C4'-P energy: -91.924 bonds (distance) P-C4' energy: -102.680 flat angles C4'-P-C4' energy: -102.621 flat angles P-C4'-P energy: -62.443 tors. eta vs tors. theta energy: -111.131 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: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1433.597641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.597641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.597641 (E_RNA) where: Base-Base interactions energy: -1022.149 where: short stacking energy: -408.525 Base-Backbone interact. energy: -0.720 local terms energy: -410.729509 where: bonds (distance) C4'-P energy: -74.111 bonds (distance) P-C4' energy: -93.508 flat angles C4'-P-C4' energy: -92.689 flat angles P-C4'-P energy: -55.869 tors. eta vs tors. theta energy: -94.553 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: 10 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1202.413272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.413272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.413272 (E_RNA) where: Base-Base interactions energy: -768.774 where: short stacking energy: -349.629 Base-Backbone interact. energy: -0.140 local terms energy: -433.499465 where: bonds (distance) C4'-P energy: -77.028 bonds (distance) P-C4' energy: -106.796 flat angles C4'-P-C4' energy: -96.719 flat angles P-C4'-P energy: -66.479 tors. eta vs tors. theta energy: -86.477 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: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -926.266573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.266573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.266573 (E_RNA) where: Base-Base interactions energy: -555.921 where: short stacking energy: -257.281 Base-Backbone interact. energy: -0.799 local terms energy: -369.546321 where: bonds (distance) C4'-P energy: -86.247 bonds (distance) P-C4' energy: -93.863 flat angles C4'-P-C4' energy: -87.200 flat angles P-C4'-P energy: -53.777 tors. eta vs tors. theta energy: -48.459 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: 8 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -664.200843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.200843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.200843 (E_RNA) where: Base-Base interactions energy: -366.349 where: short stacking energy: -192.229 Base-Backbone interact. energy: 1.527 local terms energy: -299.378782 where: bonds (distance) C4'-P energy: -74.776 bonds (distance) P-C4' energy: -93.854 flat angles C4'-P-C4' energy: -81.442 flat angles P-C4'-P energy: -44.630 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1865.247778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.247778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.247778 (E_RNA) where: Base-Base interactions energy: -1286.352 where: short stacking energy: -563.109 Base-Backbone interact. energy: -2.885 local terms energy: -576.010886 where: bonds (distance) C4'-P energy: -111.275 bonds (distance) P-C4' energy: -101.633 flat angles C4'-P-C4' energy: -127.369 flat angles P-C4'-P energy: -78.070 tors. eta vs tors. theta energy: -157.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1751.209147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.209147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.209147 (E_RNA) where: Base-Base interactions energy: -1195.502 where: short stacking energy: -514.551 Base-Backbone interact. energy: -3.550 local terms energy: -552.157285 where: bonds (distance) C4'-P energy: -103.061 bonds (distance) P-C4' energy: -99.058 flat angles C4'-P-C4' energy: -116.216 flat angles P-C4'-P energy: -83.118 tors. eta vs tors. theta energy: -150.705 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: 114 Temperature: 1.000000 Total energy: -1668.457691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.457691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.457691 (E_RNA) where: Base-Base interactions energy: -1138.738 where: short stacking energy: -503.435 Base-Backbone interact. energy: 2.007 local terms energy: -531.727034 where: bonds (distance) C4'-P energy: -105.063 bonds (distance) P-C4' energy: -98.667 flat angles C4'-P-C4' energy: -113.969 flat angles P-C4'-P energy: -73.202 tors. eta vs tors. theta energy: -140.825 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: 7 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1663.409922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.409922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.409922 (E_RNA) where: Base-Base interactions energy: -1156.026 where: short stacking energy: -478.338 Base-Backbone interact. energy: 4.637 local terms energy: -512.020252 where: bonds (distance) C4'-P energy: -89.318 bonds (distance) P-C4' energy: -114.702 flat angles C4'-P-C4' energy: -108.295 flat angles P-C4'-P energy: -65.826 tors. eta vs tors. theta energy: -133.879 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: 5, replica: 5 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1608.912191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.912191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.912191 (E_RNA) where: Base-Base interactions energy: -1081.411 where: short stacking energy: -466.536 Base-Backbone interact. energy: -3.970 local terms energy: -523.530590 where: bonds (distance) C4'-P energy: -102.086 bonds (distance) P-C4' energy: -99.353 flat angles C4'-P-C4' energy: -108.852 flat angles P-C4'-P energy: -84.137 tors. eta vs tors. theta energy: -129.102 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: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1469.905325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.905325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.905325 (E_RNA) where: Base-Base interactions energy: -980.146 where: short stacking energy: -431.754 Base-Backbone interact. energy: 1.563 local terms energy: -491.322310 where: bonds (distance) C4'-P energy: -90.529 bonds (distance) P-C4' energy: -105.724 flat angles C4'-P-C4' energy: -90.724 flat angles P-C4'-P energy: -79.509 tors. eta vs tors. theta energy: -124.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1411.591916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.591916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.591916 (E_RNA) where: Base-Base interactions energy: -970.052 where: short stacking energy: -369.149 Base-Backbone interact. energy: 3.145 local terms energy: -444.684983 where: bonds (distance) C4'-P energy: -98.031 bonds (distance) P-C4' energy: -89.888 flat angles C4'-P-C4' energy: -94.666 flat angles P-C4'-P energy: -56.681 tors. eta vs tors. theta energy: -105.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1235.801939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.801939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.801939 (E_RNA) where: Base-Base interactions energy: -804.462 where: short stacking energy: -345.615 Base-Backbone interact. energy: -2.766 local terms energy: -428.573100 where: bonds (distance) C4'-P energy: -82.610 bonds (distance) P-C4' energy: -104.200 flat angles C4'-P-C4' energy: -96.679 flat angles P-C4'-P energy: -65.310 tors. eta vs tors. theta energy: -79.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -930.692708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.692708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.692708 (E_RNA) where: Base-Base interactions energy: -589.102 where: short stacking energy: -256.206 Base-Backbone interact. energy: 1.106 local terms energy: -342.696354 where: bonds (distance) C4'-P energy: -88.107 bonds (distance) P-C4' energy: -91.542 flat angles C4'-P-C4' energy: -93.248 flat angles P-C4'-P energy: -37.260 tors. eta vs tors. theta energy: -32.539 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: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -708.683807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.683807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.683807 (E_RNA) where: Base-Base interactions energy: -393.506 where: short stacking energy: -191.995 Base-Backbone interact. energy: -1.086 local terms energy: -314.091407 where: bonds (distance) C4'-P energy: -92.440 bonds (distance) P-C4' energy: -104.696 flat angles C4'-P-C4' energy: -56.249 flat angles P-C4'-P energy: -44.850 tors. eta vs tors. theta energy: -15.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1854.867401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.867401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.867401 (E_RNA) where: Base-Base interactions energy: -1245.966 where: short stacking energy: -532.716 Base-Backbone interact. energy: -1.647 local terms energy: -607.254823 where: bonds (distance) C4'-P energy: -123.659 bonds (distance) P-C4' energy: -113.882 flat angles C4'-P-C4' energy: -121.197 flat angles P-C4'-P energy: -96.528 tors. eta vs tors. theta energy: -151.988 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: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1774.927087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.927087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.927087 (E_RNA) where: Base-Base interactions energy: -1236.649 where: short stacking energy: -529.788 Base-Backbone interact. energy: -2.120 local terms energy: -536.157829 where: bonds (distance) C4'-P energy: -92.783 bonds (distance) P-C4' energy: -112.649 flat angles C4'-P-C4' energy: -116.746 flat angles P-C4'-P energy: -61.376 tors. eta vs tors. theta energy: -152.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1685.886037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.886037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.886037 (E_RNA) where: Base-Base interactions energy: -1156.620 where: short stacking energy: -500.460 Base-Backbone interact. energy: 0.308 local terms energy: -529.573550 where: bonds (distance) C4'-P energy: -96.526 bonds (distance) P-C4' energy: -101.411 flat angles C4'-P-C4' energy: -124.934 flat angles P-C4'-P energy: -70.480 tors. eta vs tors. theta energy: -136.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1670.662456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.662456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.662456 (E_RNA) where: Base-Base interactions energy: -1136.937 where: short stacking energy: -495.865 Base-Backbone interact. energy: -1.544 local terms energy: -532.182097 where: bonds (distance) C4'-P energy: -102.303 bonds (distance) P-C4' energy: -97.340 flat angles C4'-P-C4' energy: -108.583 flat angles P-C4'-P energy: -87.519 tors. eta vs tors. theta energy: -136.438 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: 5 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1588.833444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.833444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.833444 (E_RNA) where: Base-Base interactions energy: -1089.962 where: short stacking energy: -462.092 Base-Backbone interact. energy: 1.685 local terms energy: -500.555819 where: bonds (distance) C4'-P energy: -102.849 bonds (distance) P-C4' energy: -98.761 flat angles C4'-P-C4' energy: -103.372 flat angles P-C4'-P energy: -73.743 tors. eta vs tors. theta energy: -121.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1488.910100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.910100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.910100 (E_RNA) where: Base-Base interactions energy: -1021.820 where: short stacking energy: -431.234 Base-Backbone interact. energy: 0.412 local terms energy: -467.502316 where: bonds (distance) C4'-P energy: -98.373 bonds (distance) P-C4' energy: -92.190 flat angles C4'-P-C4' energy: -104.305 flat angles P-C4'-P energy: -74.032 tors. eta vs tors. theta energy: -98.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1408.013459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.013459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.013459 (E_RNA) where: Base-Base interactions energy: -954.684 where: short stacking energy: -393.572 Base-Backbone interact. energy: -0.738 local terms energy: -452.591537 where: bonds (distance) C4'-P energy: -91.850 bonds (distance) P-C4' energy: -101.119 flat angles C4'-P-C4' energy: -90.975 flat angles P-C4'-P energy: -63.011 tors. eta vs tors. theta energy: -105.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1249.940164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.940164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.940164 (E_RNA) where: Base-Base interactions energy: -811.468 where: short stacking energy: -351.600 Base-Backbone interact. energy: -1.090 local terms energy: -437.382450 where: bonds (distance) C4'-P energy: -86.668 bonds (distance) P-C4' energy: -106.032 flat angles C4'-P-C4' energy: -92.256 flat angles P-C4'-P energy: -62.553 tors. eta vs tors. theta energy: -89.872 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: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1002.297275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.297275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.297275 (E_RNA) where: Base-Base interactions energy: -639.324 where: short stacking energy: -314.798 Base-Backbone interact. energy: -2.635 local terms energy: -360.337878 where: bonds (distance) C4'-P energy: -65.385 bonds (distance) P-C4' energy: -87.102 flat angles C4'-P-C4' energy: -90.132 flat angles P-C4'-P energy: -53.846 tors. eta vs tors. theta energy: -63.872 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: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -664.573660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.573660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.573660 (E_RNA) where: Base-Base interactions energy: -366.318 where: short stacking energy: -190.346 Base-Backbone interact. energy: 4.553 local terms energy: -302.809103 where: bonds (distance) C4'-P energy: -88.548 bonds (distance) P-C4' energy: -105.516 flat angles C4'-P-C4' energy: -70.942 flat angles P-C4'-P energy: -44.025 tors. eta vs tors. theta energy: 6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1870.086580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.086580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.086580 (E_RNA) where: Base-Base interactions energy: -1292.547 where: short stacking energy: -528.957 Base-Backbone interact. energy: -2.783 local terms energy: -574.757307 where: bonds (distance) C4'-P energy: -110.987 bonds (distance) P-C4' energy: -118.572 flat angles C4'-P-C4' energy: -117.099 flat angles P-C4'-P energy: -79.109 tors. eta vs tors. theta energy: -148.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1777.471013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.471013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.471013 (E_RNA) where: Base-Base interactions energy: -1212.479 where: short stacking energy: -518.035 Base-Backbone interact. energy: -2.491 local terms energy: -562.500598 where: bonds (distance) C4'-P energy: -111.743 bonds (distance) P-C4' energy: -107.246 flat angles C4'-P-C4' energy: -112.339 flat angles P-C4'-P energy: -82.566 tors. eta vs tors. theta energy: -148.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1757.730962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.730962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.730962 (E_RNA) where: Base-Base interactions energy: -1223.150 where: short stacking energy: -508.813 Base-Backbone interact. energy: -1.008 local terms energy: -533.572895 where: bonds (distance) C4'-P energy: -98.974 bonds (distance) P-C4' energy: -102.570 flat angles C4'-P-C4' energy: -106.037 flat angles P-C4'-P energy: -79.214 tors. eta vs tors. theta energy: -146.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1655.524072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.524072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.524072 (E_RNA) where: Base-Base interactions energy: -1136.962 where: short stacking energy: -483.150 Base-Backbone interact. energy: -0.534 local terms energy: -518.028171 where: bonds (distance) C4'-P energy: -95.097 bonds (distance) P-C4' energy: -90.027 flat angles C4'-P-C4' energy: -121.046 flat angles P-C4'-P energy: -74.516 tors. eta vs tors. theta energy: -137.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1631.923921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.923921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.923921 (E_RNA) where: Base-Base interactions energy: -1124.388 where: short stacking energy: -463.194 Base-Backbone interact. energy: -2.044 local terms energy: -505.492003 where: bonds (distance) C4'-P energy: -91.642 bonds (distance) P-C4' energy: -105.166 flat angles C4'-P-C4' energy: -105.573 flat angles P-C4'-P energy: -78.007 tors. eta vs tors. theta energy: -125.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1496.784136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.784136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.784136 (E_RNA) where: Base-Base interactions energy: -1026.211 where: short stacking energy: -403.539 Base-Backbone interact. energy: -3.349 local terms energy: -467.223890 where: bonds (distance) C4'-P energy: -104.239 bonds (distance) P-C4' energy: -101.808 flat angles C4'-P-C4' energy: -104.264 flat angles P-C4'-P energy: -56.601 tors. eta vs tors. theta energy: -100.312 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: 116 Temperature: 1.200000 Total energy: -1428.773543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.773543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.773543 (E_RNA) where: Base-Base interactions energy: -971.129 where: short stacking energy: -397.745 Base-Backbone interact. energy: -2.314 local terms energy: -455.330947 where: bonds (distance) C4'-P energy: -92.503 bonds (distance) P-C4' energy: -79.334 flat angles C4'-P-C4' energy: -117.565 flat angles P-C4'-P energy: -51.819 tors. eta vs tors. theta energy: -114.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1180.255555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.255555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.255555 (E_RNA) where: Base-Base interactions energy: -769.719 where: short stacking energy: -335.106 Base-Backbone interact. energy: -0.741 local terms energy: -409.795461 where: bonds (distance) C4'-P energy: -73.048 bonds (distance) P-C4' energy: -82.838 flat angles C4'-P-C4' energy: -104.043 flat angles P-C4'-P energy: -81.006 tors. eta vs tors. theta energy: -68.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -918.150988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.150988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.150988 (E_RNA) where: Base-Base interactions energy: -558.326 where: short stacking energy: -249.708 Base-Backbone interact. energy: 0.284 local terms energy: -360.108605 where: bonds (distance) C4'-P energy: -87.070 bonds (distance) P-C4' energy: -85.161 flat angles C4'-P-C4' energy: -95.040 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -29.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -668.804984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.804984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.804984 (E_RNA) where: Base-Base interactions energy: -381.786 where: short stacking energy: -209.926 Base-Backbone interact. energy: -3.901 local terms energy: -283.118287 where: bonds (distance) C4'-P energy: -76.609 bonds (distance) P-C4' energy: -93.834 flat angles C4'-P-C4' energy: -60.816 flat angles P-C4'-P energy: -49.445 tors. eta vs tors. theta energy: -2.414 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: 117 Temperature: 0.900000 Total energy: -1879.035039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.035039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.035039 (E_RNA) where: Base-Base interactions energy: -1310.853 where: short stacking energy: -530.471 Base-Backbone interact. energy: -2.867 local terms energy: -565.315004 where: bonds (distance) C4'-P energy: -108.775 bonds (distance) P-C4' energy: -117.449 flat angles C4'-P-C4' energy: -119.474 flat angles P-C4'-P energy: -70.541 tors. eta vs tors. theta energy: -149.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1772.567091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.567091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.567091 (E_RNA) where: Base-Base interactions energy: -1213.994 where: short stacking energy: -526.818 Base-Backbone interact. energy: -1.065 local terms energy: -557.507745 where: bonds (distance) C4'-P energy: -101.592 bonds (distance) P-C4' energy: -115.105 flat angles C4'-P-C4' energy: -116.170 flat angles P-C4'-P energy: -78.950 tors. eta vs tors. theta energy: -145.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1727.497115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.497115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.497115 (E_RNA) where: Base-Base interactions energy: -1158.783 where: short stacking energy: -501.655 Base-Backbone interact. energy: -4.539 local terms energy: -564.175589 where: bonds (distance) C4'-P energy: -108.127 bonds (distance) P-C4' energy: -104.998 flat angles C4'-P-C4' energy: -123.608 flat angles P-C4'-P energy: -84.047 tors. eta vs tors. theta energy: -143.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1653.495645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.495645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.495645 (E_RNA) where: Base-Base interactions energy: -1117.292 where: short stacking energy: -478.551 Base-Backbone interact. energy: -4.499 local terms energy: -531.704743 where: bonds (distance) C4'-P energy: -108.298 bonds (distance) P-C4' energy: -107.751 flat angles C4'-P-C4' energy: -103.747 flat angles P-C4'-P energy: -76.088 tors. eta vs tors. theta energy: -135.820 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: 4 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1547.663260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.663260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.663260 (E_RNA) where: Base-Base interactions energy: -1046.466 where: short stacking energy: -439.979 Base-Backbone interact. energy: -0.434 local terms energy: -500.762436 where: bonds (distance) C4'-P energy: -94.706 bonds (distance) P-C4' energy: -108.777 flat angles C4'-P-C4' energy: -124.298 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: -110.975 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: 117 Temperature: 1.150000 Total energy: -1495.068349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.068349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.068349 (E_RNA) where: Base-Base interactions energy: -1018.504 where: short stacking energy: -415.870 Base-Backbone interact. energy: -2.422 local terms energy: -474.142418 where: bonds (distance) C4'-P energy: -89.821 bonds (distance) P-C4' energy: -101.795 flat angles C4'-P-C4' energy: -104.596 flat angles P-C4'-P energy: -53.300 tors. eta vs tors. theta energy: -124.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1432.826860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.826860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.826860 (E_RNA) where: Base-Base interactions energy: -1009.526 where: short stacking energy: -419.809 Base-Backbone interact. energy: -4.209 local terms energy: -419.091610 where: bonds (distance) C4'-P energy: -80.334 bonds (distance) P-C4' energy: -87.424 flat angles C4'-P-C4' energy: -103.924 flat angles P-C4'-P energy: -44.767 tors. eta vs tors. theta energy: -102.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1236.877426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.877426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.877426 (E_RNA) where: Base-Base interactions energy: -831.949 where: short stacking energy: -360.581 Base-Backbone interact. energy: 0.147 local terms energy: -405.074584 where: bonds (distance) C4'-P energy: -74.452 bonds (distance) P-C4' energy: -88.011 flat angles C4'-P-C4' energy: -97.089 flat angles P-C4'-P energy: -61.856 tors. eta vs tors. theta energy: -83.666 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: 9 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -928.394882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.394882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.394882 (E_RNA) where: Base-Base interactions energy: -559.000 where: short stacking energy: -255.935 Base-Backbone interact. energy: 0.097 local terms energy: -369.492557 where: bonds (distance) C4'-P energy: -92.495 bonds (distance) P-C4' energy: -105.788 flat angles C4'-P-C4' energy: -84.539 flat angles P-C4'-P energy: -48.550 tors. eta vs tors. theta energy: -38.120 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: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -641.252661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.252661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.252661 (E_RNA) where: Base-Base interactions energy: -338.680 where: short stacking energy: -192.694 Base-Backbone interact. energy: 4.050 local terms energy: -306.623188 where: bonds (distance) C4'-P energy: -78.520 bonds (distance) P-C4' energy: -85.375 flat angles C4'-P-C4' energy: -93.516 flat angles P-C4'-P energy: -40.753 tors. eta vs tors. theta energy: -8.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1855.335945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.335945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.335945 (E_RNA) where: Base-Base interactions energy: -1303.818 where: short stacking energy: -521.847 Base-Backbone interact. energy: -2.518 local terms energy: -548.999856 where: bonds (distance) C4'-P energy: -102.899 bonds (distance) P-C4' energy: -96.458 flat angles C4'-P-C4' energy: -119.508 flat angles P-C4'-P energy: -83.734 tors. eta vs tors. theta energy: -146.401 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: 7 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1799.699879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.699879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.699879 (E_RNA) where: Base-Base interactions energy: -1230.331 where: short stacking energy: -533.695 Base-Backbone interact. energy: -1.131 local terms energy: -568.237180 where: bonds (distance) C4'-P energy: -91.564 bonds (distance) P-C4' energy: -113.514 flat angles C4'-P-C4' energy: -120.735 flat angles P-C4'-P energy: -80.957 tors. eta vs tors. theta energy: -161.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1710.859547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.859547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.859547 (E_RNA) where: Base-Base interactions energy: -1169.719 where: short stacking energy: -474.019 Base-Backbone interact. energy: -3.439 local terms energy: -537.701069 where: bonds (distance) C4'-P energy: -99.061 bonds (distance) P-C4' energy: -109.610 flat angles C4'-P-C4' energy: -120.409 flat angles P-C4'-P energy: -73.545 tors. eta vs tors. theta energy: -135.076 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: 5 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1673.685260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.685260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.685260 (E_RNA) where: Base-Base interactions energy: -1148.414 where: short stacking energy: -496.068 Base-Backbone interact. energy: -2.186 local terms energy: -523.085196 where: bonds (distance) C4'-P energy: -96.158 bonds (distance) P-C4' energy: -103.664 flat angles C4'-P-C4' energy: -121.629 flat angles P-C4'-P energy: -68.834 tors. eta vs tors. theta energy: -132.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1545.378791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.378791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.378791 (E_RNA) where: Base-Base interactions energy: -1041.797 where: short stacking energy: -430.883 Base-Backbone interact. energy: -2.187 local terms energy: -501.394742 where: bonds (distance) C4'-P energy: -97.110 bonds (distance) P-C4' energy: -91.610 flat angles C4'-P-C4' energy: -118.661 flat angles P-C4'-P energy: -71.421 tors. eta vs tors. theta energy: -122.593 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: 6, replica: 6 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1510.403024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.403024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.403024 (E_RNA) where: Base-Base interactions energy: -1034.554 where: short stacking energy: -435.145 Base-Backbone interact. energy: -4.537 local terms energy: -471.312007 where: bonds (distance) C4'-P energy: -95.757 bonds (distance) P-C4' energy: -78.847 flat angles C4'-P-C4' energy: -105.863 flat angles P-C4'-P energy: -69.781 tors. eta vs tors. theta energy: -121.063 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: 7, replica: 2 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1414.744889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.744889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.744889 (E_RNA) where: Base-Base interactions energy: -952.774 where: short stacking energy: -397.355 Base-Backbone interact. energy: -1.813 local terms energy: -460.157941 where: bonds (distance) C4'-P energy: -91.880 bonds (distance) P-C4' energy: -104.659 flat angles C4'-P-C4' energy: -98.514 flat angles P-C4'-P energy: -66.773 tors. eta vs tors. theta energy: -98.332 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: 8, replica: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1257.554235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.554235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.554235 (E_RNA) where: Base-Base interactions energy: -831.981 where: short stacking energy: -352.351 Base-Backbone interact. energy: -0.398 local terms energy: -425.174717 where: bonds (distance) C4'-P energy: -97.039 bonds (distance) P-C4' energy: -102.137 flat angles C4'-P-C4' energy: -91.597 flat angles P-C4'-P energy: -55.515 tors. eta vs tors. theta energy: -78.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -988.234456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.234456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.234456 (E_RNA) where: Base-Base interactions energy: -631.629 where: short stacking energy: -315.100 Base-Backbone interact. energy: 1.333 local terms energy: -357.938876 where: bonds (distance) C4'-P energy: -79.118 bonds (distance) P-C4' energy: -75.188 flat angles C4'-P-C4' energy: -91.187 flat angles P-C4'-P energy: -55.675 tors. eta vs tors. theta energy: -56.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -675.402488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.402488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.402488 (E_RNA) where: Base-Base interactions energy: -354.873 where: short stacking energy: -207.524 Base-Backbone interact. energy: 5.098 local terms energy: -325.627870 where: bonds (distance) C4'-P energy: -92.304 bonds (distance) P-C4' energy: -94.392 flat angles C4'-P-C4' energy: -81.866 flat angles P-C4'-P energy: -43.969 tors. eta vs tors. theta energy: -13.097 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: 119 Temperature: 0.900000 Total energy: -1876.146643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.146643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.146643 (E_RNA) where: Base-Base interactions energy: -1313.298 where: short stacking energy: -530.934 Base-Backbone interact. energy: -4.418 local terms energy: -558.431122 where: bonds (distance) C4'-P energy: -110.949 bonds (distance) P-C4' energy: -98.328 flat angles C4'-P-C4' energy: -121.710 flat angles P-C4'-P energy: -84.567 tors. eta vs tors. theta energy: -142.877 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: 7 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1836.102631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.102631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.102631 (E_RNA) where: Base-Base interactions energy: -1262.102 where: short stacking energy: -567.671 Base-Backbone interact. energy: -0.668 local terms energy: -573.332888 where: bonds (distance) C4'-P energy: -109.877 bonds (distance) P-C4' energy: -99.089 flat angles C4'-P-C4' energy: -124.442 flat angles P-C4'-P energy: -77.503 tors. eta vs tors. theta energy: -162.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1730.683721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.683721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.683721 (E_RNA) where: Base-Base interactions energy: -1193.649 where: short stacking energy: -510.562 Base-Backbone interact. energy: -3.143 local terms energy: -533.891428 where: bonds (distance) C4'-P energy: -101.077 bonds (distance) P-C4' energy: -96.522 flat angles C4'-P-C4' energy: -112.903 flat angles P-C4'-P energy: -74.448 tors. eta vs tors. theta energy: -148.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1656.316011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.316011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.316011 (E_RNA) where: Base-Base interactions energy: -1119.466 where: short stacking energy: -482.387 Base-Backbone interact. energy: -1.573 local terms energy: -535.276958 where: bonds (distance) C4'-P energy: -103.541 bonds (distance) P-C4' energy: -104.605 flat angles C4'-P-C4' energy: -117.725 flat angles P-C4'-P energy: -76.907 tors. eta vs tors. theta energy: -132.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1516.952397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.952397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.952397 (E_RNA) where: Base-Base interactions energy: -1051.641 where: short stacking energy: -443.935 Base-Backbone interact. energy: -1.288 local terms energy: -464.023293 where: bonds (distance) C4'-P energy: -91.652 bonds (distance) P-C4' energy: -97.089 flat angles C4'-P-C4' energy: -102.354 flat angles P-C4'-P energy: -72.187 tors. eta vs tors. theta energy: -100.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1496.094926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.094926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.094926 (E_RNA) where: Base-Base interactions energy: -1025.404 where: short stacking energy: -421.518 Base-Backbone interact. energy: -5.119 local terms energy: -465.571129 where: bonds (distance) C4'-P energy: -88.953 bonds (distance) P-C4' energy: -95.743 flat angles C4'-P-C4' energy: -107.811 flat angles P-C4'-P energy: -75.943 tors. eta vs tors. theta energy: -97.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1346.060090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.060090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.060090 (E_RNA) where: Base-Base interactions energy: -916.348 where: short stacking energy: -390.339 Base-Backbone interact. energy: -1.094 local terms energy: -428.618041 where: bonds (distance) C4'-P energy: -79.934 bonds (distance) P-C4' energy: -90.793 flat angles C4'-P-C4' energy: -84.293 flat angles P-C4'-P energy: -70.649 tors. eta vs tors. theta energy: -102.950 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: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1183.963879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.963879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.963879 (E_RNA) where: Base-Base interactions energy: -781.386 where: short stacking energy: -336.512 Base-Backbone interact. energy: 1.782 local terms energy: -404.359631 where: bonds (distance) C4'-P energy: -84.301 bonds (distance) P-C4' energy: -103.189 flat angles C4'-P-C4' energy: -88.184 flat angles P-C4'-P energy: -55.371 tors. eta vs tors. theta energy: -73.314 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: 9, replica: 9 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -967.410107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.410107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.410107 (E_RNA) where: Base-Base interactions energy: -587.407 where: short stacking energy: -269.154 Base-Backbone interact. energy: 3.417 local terms energy: -383.420275 where: bonds (distance) C4'-P energy: -94.474 bonds (distance) P-C4' energy: -79.552 flat angles C4'-P-C4' energy: -100.767 flat angles P-C4'-P energy: -69.917 tors. eta vs tors. theta energy: -38.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -611.965861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.965861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.965861 (E_RNA) where: Base-Base interactions energy: -325.241 where: short stacking energy: -174.804 Base-Backbone interact. energy: -1.370 local terms energy: -285.354947 where: bonds (distance) C4'-P energy: -81.697 bonds (distance) P-C4' energy: -96.253 flat angles C4'-P-C4' energy: -88.182 flat angles P-C4'-P energy: -23.732 tors. eta vs tors. theta energy: 4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1867.625633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.625633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.625633 (E_RNA) where: Base-Base interactions energy: -1289.022 where: short stacking energy: -526.738 Base-Backbone interact. energy: -3.380 local terms energy: -575.223639 where: bonds (distance) C4'-P energy: -112.055 bonds (distance) P-C4' energy: -110.053 flat angles C4'-P-C4' energy: -127.831 flat angles P-C4'-P energy: -83.660 tors. eta vs tors. theta energy: -141.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1834.212182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.212182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.212182 (E_RNA) where: Base-Base interactions energy: -1230.925 where: short stacking energy: -541.004 Base-Backbone interact. energy: -1.227 local terms energy: -602.060237 where: bonds (distance) C4'-P energy: -101.612 bonds (distance) P-C4' energy: -118.761 flat angles C4'-P-C4' energy: -123.805 flat angles P-C4'-P energy: -86.197 tors. eta vs tors. theta energy: -171.685 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: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1727.177536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.177536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.177536 (E_RNA) where: Base-Base interactions energy: -1198.782 where: short stacking energy: -497.766 Base-Backbone interact. energy: -1.706 local terms energy: -526.690088 where: bonds (distance) C4'-P energy: -87.492 bonds (distance) P-C4' energy: -109.311 flat angles C4'-P-C4' energy: -107.746 flat angles P-C4'-P energy: -80.558 tors. eta vs tors. theta energy: -141.583 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: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1692.072385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.072385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.072385 (E_RNA) where: Base-Base interactions energy: -1166.629 where: short stacking energy: -487.918 Base-Backbone interact. energy: -1.359 local terms energy: -524.083974 where: bonds (distance) C4'-P energy: -98.216 bonds (distance) P-C4' energy: -97.990 flat angles C4'-P-C4' energy: -110.942 flat angles P-C4'-P energy: -69.238 tors. eta vs tors. theta energy: -147.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1557.014943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.014943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.014943 (E_RNA) where: Base-Base interactions energy: -1075.870 where: short stacking energy: -452.401 Base-Backbone interact. energy: 1.252 local terms energy: -482.397448 where: bonds (distance) C4'-P energy: -108.883 bonds (distance) P-C4' energy: -93.305 flat angles C4'-P-C4' energy: -96.411 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -117.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1414.367468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.367468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.367468 (E_RNA) where: Base-Base interactions energy: -944.166 where: short stacking energy: -405.175 Base-Backbone interact. energy: 0.384 local terms energy: -470.585392 where: bonds (distance) C4'-P energy: -109.653 bonds (distance) P-C4' energy: -104.236 flat angles C4'-P-C4' energy: -96.689 flat angles P-C4'-P energy: -67.286 tors. eta vs tors. theta energy: -92.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1367.246713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.246713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.246713 (E_RNA) where: Base-Base interactions energy: -935.917 where: short stacking energy: -401.233 Base-Backbone interact. energy: 0.297 local terms energy: -431.626175 where: bonds (distance) C4'-P energy: -76.337 bonds (distance) P-C4' energy: -82.777 flat angles C4'-P-C4' energy: -105.451 flat angles P-C4'-P energy: -65.094 tors. eta vs tors. theta energy: -101.967 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: 10 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1222.929516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.929516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.929516 (E_RNA) where: Base-Base interactions energy: -799.357 where: short stacking energy: -355.386 Base-Backbone interact. energy: -0.068 local terms energy: -423.505491 where: bonds (distance) C4'-P energy: -89.549 bonds (distance) P-C4' energy: -100.963 flat angles C4'-P-C4' energy: -94.919 flat angles P-C4'-P energy: -55.453 tors. eta vs tors. theta energy: -82.623 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: 9 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -979.535458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.535458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.535458 (E_RNA) where: Base-Base interactions energy: -596.605 where: short stacking energy: -275.706 Base-Backbone interact. energy: 2.931 local terms energy: -385.861117 where: bonds (distance) C4'-P energy: -89.550 bonds (distance) P-C4' energy: -90.907 flat angles C4'-P-C4' energy: -91.354 flat angles P-C4'-P energy: -58.838 tors. eta vs tors. theta energy: -55.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -629.233084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.233084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.233084 (E_RNA) where: Base-Base interactions energy: -312.574 where: short stacking energy: -159.582 Base-Backbone interact. energy: 4.137 local terms energy: -320.795879 where: bonds (distance) C4'-P energy: -82.189 bonds (distance) P-C4' energy: -91.335 flat angles C4'-P-C4' energy: -84.497 flat angles P-C4'-P energy: -50.532 tors. eta vs tors. theta energy: -12.242 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: 121 Temperature: 0.900000 Total energy: -1911.044519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.044519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.044519 (E_RNA) where: Base-Base interactions energy: -1330.036 where: short stacking energy: -560.310 Base-Backbone interact. energy: -4.896 local terms energy: -576.112134 where: bonds (distance) C4'-P energy: -97.095 bonds (distance) P-C4' energy: -104.201 flat angles C4'-P-C4' energy: -127.657 flat angles P-C4'-P energy: -84.007 tors. eta vs tors. theta energy: -163.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1863.404313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.404313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.404313 (E_RNA) where: Base-Base interactions energy: -1294.147 where: short stacking energy: -585.054 Base-Backbone interact. energy: -2.563 local terms energy: -566.694006 where: bonds (distance) C4'-P energy: -89.674 bonds (distance) P-C4' energy: -101.864 flat angles C4'-P-C4' energy: -119.508 flat angles P-C4'-P energy: -77.965 tors. eta vs tors. theta energy: -177.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1729.155667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.155667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.155667 (E_RNA) where: Base-Base interactions energy: -1206.811 where: short stacking energy: -500.223 Base-Backbone interact. energy: -3.516 local terms energy: -518.828663 where: bonds (distance) C4'-P energy: -95.197 bonds (distance) P-C4' energy: -90.109 flat angles C4'-P-C4' energy: -114.013 flat angles P-C4'-P energy: -74.911 tors. eta vs tors. theta energy: -144.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1637.804736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.804736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.804736 (E_RNA) where: Base-Base interactions energy: -1130.525 where: short stacking energy: -470.116 Base-Backbone interact. energy: -1.455 local terms energy: -505.823879 where: bonds (distance) C4'-P energy: -101.395 bonds (distance) P-C4' energy: -103.798 flat angles C4'-P-C4' energy: -112.752 flat angles P-C4'-P energy: -64.145 tors. eta vs tors. theta energy: -123.734 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: 4 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1544.403738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.403738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.403738 (E_RNA) where: Base-Base interactions energy: -1067.895 where: short stacking energy: -454.575 Base-Backbone interact. energy: 0.187 local terms energy: -476.695516 where: bonds (distance) C4'-P energy: -80.872 bonds (distance) P-C4' energy: -99.272 flat angles C4'-P-C4' energy: -91.647 flat angles P-C4'-P energy: -86.415 tors. eta vs tors. theta energy: -118.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1468.402828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.402828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.402828 (E_RNA) where: Base-Base interactions energy: -980.034 where: short stacking energy: -415.020 Base-Backbone interact. energy: -1.058 local terms energy: -487.310499 where: bonds (distance) C4'-P energy: -99.484 bonds (distance) P-C4' energy: -113.676 flat angles C4'-P-C4' energy: -99.151 flat angles P-C4'-P energy: -72.381 tors. eta vs tors. theta energy: -102.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1346.686133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.686133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.686133 (E_RNA) where: Base-Base interactions energy: -899.860 where: short stacking energy: -406.420 Base-Backbone interact. energy: 0.846 local terms energy: -447.672050 where: bonds (distance) C4'-P energy: -109.676 bonds (distance) P-C4' energy: -76.998 flat angles C4'-P-C4' energy: -97.906 flat angles P-C4'-P energy: -60.006 tors. eta vs tors. theta energy: -103.086 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: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1123.645947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.645947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.645947 (E_RNA) where: Base-Base interactions energy: -761.088 where: short stacking energy: -313.104 Base-Backbone interact. energy: -2.634 local terms energy: -359.923666 where: bonds (distance) C4'-P energy: -75.583 bonds (distance) P-C4' energy: -75.212 flat angles C4'-P-C4' energy: -92.520 flat angles P-C4'-P energy: -63.795 tors. eta vs tors. theta energy: -52.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -899.808649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.808649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.808649 (E_RNA) where: Base-Base interactions energy: -539.252 where: short stacking energy: -260.772 Base-Backbone interact. energy: 0.309 local terms energy: -360.865793 where: bonds (distance) C4'-P energy: -96.293 bonds (distance) P-C4' energy: -97.075 flat angles C4'-P-C4' energy: -82.657 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -38.042 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: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -612.075240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.075240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.075240 (E_RNA) where: Base-Base interactions energy: -297.022 where: short stacking energy: -160.764 Base-Backbone interact. energy: -0.395 local terms energy: -314.658276 where: bonds (distance) C4'-P energy: -97.146 bonds (distance) P-C4' energy: -103.251 flat angles C4'-P-C4' energy: -72.880 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: 0.863 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: 1, replica: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1926.050765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.050765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.050765 (E_RNA) where: Base-Base interactions energy: -1341.444 where: short stacking energy: -581.095 Base-Backbone interact. energy: -3.450 local terms energy: -581.156452 where: bonds (distance) C4'-P energy: -106.762 bonds (distance) P-C4' energy: -111.357 flat angles C4'-P-C4' energy: -113.552 flat angles P-C4'-P energy: -85.243 tors. eta vs tors. theta energy: -164.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1816.627995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.627995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.627995 (E_RNA) where: Base-Base interactions energy: -1231.281 where: short stacking energy: -531.995 Base-Backbone interact. energy: -0.453 local terms energy: -584.894157 where: bonds (distance) C4'-P energy: -110.046 bonds (distance) P-C4' energy: -112.527 flat angles C4'-P-C4' energy: -121.129 flat angles P-C4'-P energy: -79.383 tors. eta vs tors. theta energy: -161.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1688.032991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.032991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.032991 (E_RNA) where: Base-Base interactions energy: -1157.558 where: short stacking energy: -475.956 Base-Backbone interact. energy: -3.914 local terms energy: -526.560632 where: bonds (distance) C4'-P energy: -102.083 bonds (distance) P-C4' energy: -104.218 flat angles C4'-P-C4' energy: -117.205 flat angles P-C4'-P energy: -77.692 tors. eta vs tors. theta energy: -125.362 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: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1622.248074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.248074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.248074 (E_RNA) where: Base-Base interactions energy: -1139.935 where: short stacking energy: -463.467 Base-Backbone interact. energy: 0.672 local terms energy: -482.985073 where: bonds (distance) C4'-P energy: -95.331 bonds (distance) P-C4' energy: -97.160 flat angles C4'-P-C4' energy: -102.351 flat angles P-C4'-P energy: -58.950 tors. eta vs tors. theta energy: -129.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1528.162022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.162022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.162022 (E_RNA) where: Base-Base interactions energy: -1035.978 where: short stacking energy: -435.286 Base-Backbone interact. energy: 3.703 local terms energy: -495.887488 where: bonds (distance) C4'-P energy: -101.946 bonds (distance) P-C4' energy: -97.338 flat angles C4'-P-C4' energy: -117.140 flat angles P-C4'-P energy: -74.544 tors. eta vs tors. theta energy: -104.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1450.158950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.158950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.158950 (E_RNA) where: Base-Base interactions energy: -965.257 where: short stacking energy: -375.644 Base-Backbone interact. energy: -1.523 local terms energy: -483.379271 where: bonds (distance) C4'-P energy: -102.135 bonds (distance) P-C4' energy: -111.135 flat angles C4'-P-C4' energy: -93.280 flat angles P-C4'-P energy: -75.817 tors. eta vs tors. theta energy: -101.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1380.457374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.457374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.457374 (E_RNA) where: Base-Base interactions energy: -930.568 where: short stacking energy: -385.239 Base-Backbone interact. energy: -2.219 local terms energy: -447.670127 where: bonds (distance) C4'-P energy: -92.592 bonds (distance) P-C4' energy: -97.285 flat angles C4'-P-C4' energy: -101.577 flat angles P-C4'-P energy: -56.312 tors. eta vs tors. theta energy: -99.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1154.357724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.357724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.357724 (E_RNA) where: Base-Base interactions energy: -737.329 where: short stacking energy: -339.397 Base-Backbone interact. energy: 1.863 local terms energy: -418.890850 where: bonds (distance) C4'-P energy: -98.003 bonds (distance) P-C4' energy: -91.679 flat angles C4'-P-C4' energy: -93.815 flat angles P-C4'-P energy: -65.532 tors. eta vs tors. theta energy: -69.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -847.303052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.303052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.303052 (E_RNA) where: Base-Base interactions energy: -507.378 where: short stacking energy: -243.157 Base-Backbone interact. energy: -3.409 local terms energy: -336.515733 where: bonds (distance) C4'-P energy: -79.325 bonds (distance) P-C4' energy: -80.711 flat angles C4'-P-C4' energy: -86.717 flat angles P-C4'-P energy: -59.270 tors. eta vs tors. theta energy: -30.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -620.440901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.440901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.440901 (E_RNA) where: Base-Base interactions energy: -334.736 where: short stacking energy: -179.043 Base-Backbone interact. energy: 1.416 local terms energy: -287.121156 where: bonds (distance) C4'-P energy: -76.992 bonds (distance) P-C4' energy: -93.151 flat angles C4'-P-C4' energy: -64.015 flat angles P-C4'-P energy: -48.472 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1898.367544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.367544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.367544 (E_RNA) where: Base-Base interactions energy: -1323.948 where: short stacking energy: -539.393 Base-Backbone interact. energy: -1.383 local terms energy: -573.036549 where: bonds (distance) C4'-P energy: -107.604 bonds (distance) P-C4' energy: -108.270 flat angles C4'-P-C4' energy: -128.849 flat angles P-C4'-P energy: -79.245 tors. eta vs tors. theta energy: -149.069 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: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1821.400498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.400498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.400498 (E_RNA) where: Base-Base interactions energy: -1238.465 where: short stacking energy: -534.097 Base-Backbone interact. energy: 0.691 local terms energy: -583.627027 where: bonds (distance) C4'-P energy: -104.678 bonds (distance) P-C4' energy: -108.689 flat angles C4'-P-C4' energy: -121.805 flat angles P-C4'-P energy: -82.322 tors. eta vs tors. theta energy: -166.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1730.762392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.762392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.762392 (E_RNA) where: Base-Base interactions energy: -1169.371 where: short stacking energy: -511.113 Base-Backbone interact. energy: -1.589 local terms energy: -559.803135 where: bonds (distance) C4'-P energy: -103.809 bonds (distance) P-C4' energy: -123.642 flat angles C4'-P-C4' energy: -119.563 flat angles P-C4'-P energy: -75.345 tors. eta vs tors. theta energy: -137.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1654.739030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.739030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.739030 (E_RNA) where: Base-Base interactions energy: -1142.369 where: short stacking energy: -485.540 Base-Backbone interact. energy: -0.442 local terms energy: -511.928729 where: bonds (distance) C4'-P energy: -86.717 bonds (distance) P-C4' energy: -96.283 flat angles C4'-P-C4' energy: -111.566 flat angles P-C4'-P energy: -73.418 tors. eta vs tors. theta energy: -143.943 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: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1555.473444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.473444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.473444 (E_RNA) where: Base-Base interactions energy: -1093.137 where: short stacking energy: -473.383 Base-Backbone interact. energy: 0.150 local terms energy: -462.487095 where: bonds (distance) C4'-P energy: -86.363 bonds (distance) P-C4' energy: -85.136 flat angles C4'-P-C4' energy: -105.952 flat angles P-C4'-P energy: -74.266 tors. eta vs tors. theta energy: -110.770 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: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1470.840899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.840899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.840899 (E_RNA) where: Base-Base interactions energy: -1009.376 where: short stacking energy: -422.092 Base-Backbone interact. energy: -0.050 local terms energy: -461.415158 where: bonds (distance) C4'-P energy: -90.935 bonds (distance) P-C4' energy: -95.584 flat angles C4'-P-C4' energy: -99.719 flat angles P-C4'-P energy: -66.265 tors. eta vs tors. theta energy: -108.914 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: 123 Temperature: 1.200000 Total energy: -1327.443131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.443131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.443131 (E_RNA) where: Base-Base interactions energy: -896.612 where: short stacking energy: -375.258 Base-Backbone interact. energy: -0.806 local terms energy: -430.026094 where: bonds (distance) C4'-P energy: -67.144 bonds (distance) P-C4' energy: -98.236 flat angles C4'-P-C4' energy: -111.853 flat angles P-C4'-P energy: -70.543 tors. eta vs tors. theta energy: -82.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1161.135956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.135956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.135956 (E_RNA) where: Base-Base interactions energy: -758.019 where: short stacking energy: -324.525 Base-Backbone interact. energy: -0.492 local terms energy: -402.623995 where: bonds (distance) C4'-P energy: -90.554 bonds (distance) P-C4' energy: -79.190 flat angles C4'-P-C4' energy: -92.225 flat angles P-C4'-P energy: -70.412 tors. eta vs tors. theta energy: -70.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -829.013254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.013254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.013254 (E_RNA) where: Base-Base interactions energy: -467.845 where: short stacking energy: -227.007 Base-Backbone interact. energy: 3.095 local terms energy: -364.263276 where: bonds (distance) C4'-P energy: -102.071 bonds (distance) P-C4' energy: -92.715 flat angles C4'-P-C4' energy: -95.375 flat angles P-C4'-P energy: -54.053 tors. eta vs tors. theta energy: -20.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -610.824352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.824352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.824352 (E_RNA) where: Base-Base interactions energy: -319.117 where: short stacking energy: -186.247 Base-Backbone interact. energy: 4.651 local terms energy: -296.357713 where: bonds (distance) C4'-P energy: -93.232 bonds (distance) P-C4' energy: -85.715 flat angles C4'-P-C4' energy: -72.075 flat angles P-C4'-P energy: -38.882 tors. eta vs tors. theta energy: -6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1893.217804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.217804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.217804 (E_RNA) where: Base-Base interactions energy: -1319.360 where: short stacking energy: -542.313 Base-Backbone interact. energy: -4.591 local terms energy: -569.266926 where: bonds (distance) C4'-P energy: -113.963 bonds (distance) P-C4' energy: -102.895 flat angles C4'-P-C4' energy: -118.159 flat angles P-C4'-P energy: -78.863 tors. eta vs tors. theta energy: -155.386 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: 7 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1811.876771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.876771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.876771 (E_RNA) where: Base-Base interactions energy: -1230.734 where: short stacking energy: -549.899 Base-Backbone interact. energy: -1.990 local terms energy: -579.152849 where: bonds (distance) C4'-P energy: -90.729 bonds (distance) P-C4' energy: -107.955 flat angles C4'-P-C4' energy: -124.703 flat angles P-C4'-P energy: -84.830 tors. eta vs tors. theta energy: -170.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1743.768654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.768654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.768654 (E_RNA) where: Base-Base interactions energy: -1192.261 where: short stacking energy: -517.885 Base-Backbone interact. energy: -3.049 local terms energy: -548.459424 where: bonds (distance) C4'-P energy: -100.290 bonds (distance) P-C4' energy: -101.497 flat angles C4'-P-C4' energy: -121.971 flat angles P-C4'-P energy: -75.660 tors. eta vs tors. theta energy: -149.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1657.877906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.877906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.877906 (E_RNA) where: Base-Base interactions energy: -1145.267 where: short stacking energy: -474.208 Base-Backbone interact. energy: -0.936 local terms energy: -511.674552 where: bonds (distance) C4'-P energy: -99.457 bonds (distance) P-C4' energy: -103.842 flat angles C4'-P-C4' energy: -118.582 flat angles P-C4'-P energy: -66.694 tors. eta vs tors. theta energy: -123.100 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: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1513.610776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.610776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.610776 (E_RNA) where: Base-Base interactions energy: -1018.985 where: short stacking energy: -441.050 Base-Backbone interact. energy: -2.562 local terms energy: -492.063689 where: bonds (distance) C4'-P energy: -94.671 bonds (distance) P-C4' energy: -97.195 flat angles C4'-P-C4' energy: -108.074 flat angles P-C4'-P energy: -64.585 tors. eta vs tors. theta energy: -127.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1468.415138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.415138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.415138 (E_RNA) where: Base-Base interactions energy: -1016.649 where: short stacking energy: -445.509 Base-Backbone interact. energy: -3.443 local terms energy: -448.323935 where: bonds (distance) C4'-P energy: -101.250 bonds (distance) P-C4' energy: -84.098 flat angles C4'-P-C4' energy: -97.425 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -107.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1333.444206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.444206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.444206 (E_RNA) where: Base-Base interactions energy: -884.017 where: short stacking energy: -377.233 Base-Backbone interact. energy: 1.364 local terms energy: -450.790822 where: bonds (distance) C4'-P energy: -100.256 bonds (distance) P-C4' energy: -107.790 flat angles C4'-P-C4' energy: -105.008 flat angles P-C4'-P energy: -57.861 tors. eta vs tors. theta energy: -79.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1184.369599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.369599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.369599 (E_RNA) where: Base-Base interactions energy: -769.424 where: short stacking energy: -354.085 Base-Backbone interact. energy: 0.276 local terms energy: -415.221551 where: bonds (distance) C4'-P energy: -103.743 bonds (distance) P-C4' energy: -88.954 flat angles C4'-P-C4' energy: -90.358 flat angles P-C4'-P energy: -56.547 tors. eta vs tors. theta energy: -75.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -842.765300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.765300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.765300 (E_RNA) where: Base-Base interactions energy: -528.534 where: short stacking energy: -236.555 Base-Backbone interact. energy: 5.143 local terms energy: -319.374847 where: bonds (distance) C4'-P energy: -82.198 bonds (distance) P-C4' energy: -77.395 flat angles C4'-P-C4' energy: -89.586 flat angles P-C4'-P energy: -44.455 tors. eta vs tors. theta energy: -25.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -573.009058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.009058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.009058 (E_RNA) where: Base-Base interactions energy: -274.553 where: short stacking energy: -165.559 Base-Backbone interact. energy: -0.538 local terms energy: -297.918291 where: bonds (distance) C4'-P energy: -72.693 bonds (distance) P-C4' energy: -101.196 flat angles C4'-P-C4' energy: -84.013 flat angles P-C4'-P energy: -25.004 tors. eta vs tors. theta energy: -15.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1888.527452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.527452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.527452 (E_RNA) where: Base-Base interactions energy: -1313.587 where: short stacking energy: -550.760 Base-Backbone interact. energy: -2.948 local terms energy: -571.992793 where: bonds (distance) C4'-P energy: -110.229 bonds (distance) P-C4' energy: -111.105 flat angles C4'-P-C4' energy: -121.428 flat angles P-C4'-P energy: -68.008 tors. eta vs tors. theta energy: -161.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1823.029373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.029373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.029373 (E_RNA) where: Base-Base interactions energy: -1248.098 where: short stacking energy: -554.170 Base-Backbone interact. energy: -4.804 local terms energy: -570.127832 where: bonds (distance) C4'-P energy: -108.586 bonds (distance) P-C4' energy: -95.685 flat angles C4'-P-C4' energy: -120.575 flat angles P-C4'-P energy: -81.761 tors. eta vs tors. theta energy: -163.521 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: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1743.805320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.805320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.805320 (E_RNA) where: Base-Base interactions energy: -1194.290 where: short stacking energy: -486.475 Base-Backbone interact. energy: 0.775 local terms energy: -550.290071 where: bonds (distance) C4'-P energy: -113.811 bonds (distance) P-C4' energy: -93.317 flat angles C4'-P-C4' energy: -122.943 flat angles P-C4'-P energy: -83.143 tors. eta vs tors. theta energy: -137.076 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: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1651.194461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.194461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.194461 (E_RNA) where: Base-Base interactions energy: -1127.319 where: short stacking energy: -450.881 Base-Backbone interact. energy: -6.699 local terms energy: -517.175713 where: bonds (distance) C4'-P energy: -99.495 bonds (distance) P-C4' energy: -103.572 flat angles C4'-P-C4' energy: -111.823 flat angles P-C4'-P energy: -70.679 tors. eta vs tors. theta energy: -131.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1566.660705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.660705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.660705 (E_RNA) where: Base-Base interactions energy: -1075.424 where: short stacking energy: -445.988 Base-Backbone interact. energy: 0.074 local terms energy: -491.309927 where: bonds (distance) C4'-P energy: -97.224 bonds (distance) P-C4' energy: -88.130 flat angles C4'-P-C4' energy: -114.012 flat angles P-C4'-P energy: -66.014 tors. eta vs tors. theta energy: -125.930 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: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1438.065936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.065936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.065936 (E_RNA) where: Base-Base interactions energy: -984.665 where: short stacking energy: -399.313 Base-Backbone interact. energy: -3.360 local terms energy: -450.041222 where: bonds (distance) C4'-P energy: -96.748 bonds (distance) P-C4' energy: -92.347 flat angles C4'-P-C4' energy: -113.384 flat angles P-C4'-P energy: -59.577 tors. eta vs tors. theta energy: -87.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1381.578515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.578515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.578515 (E_RNA) where: Base-Base interactions energy: -941.383 where: short stacking energy: -386.856 Base-Backbone interact. energy: 2.267 local terms energy: -442.463201 where: bonds (distance) C4'-P energy: -90.308 bonds (distance) P-C4' energy: -89.002 flat angles C4'-P-C4' energy: -96.679 flat angles P-C4'-P energy: -68.057 tors. eta vs tors. theta energy: -98.416 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: 10 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1147.412928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.412928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.412928 (E_RNA) where: Base-Base interactions energy: -766.457 where: short stacking energy: -327.569 Base-Backbone interact. energy: -2.218 local terms energy: -378.737806 where: bonds (distance) C4'-P energy: -71.221 bonds (distance) P-C4' energy: -96.398 flat angles C4'-P-C4' energy: -98.206 flat angles P-C4'-P energy: -56.529 tors. eta vs tors. theta energy: -56.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -876.046122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.046122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.046122 (E_RNA) where: Base-Base interactions energy: -530.116 where: short stacking energy: -234.897 Base-Backbone interact. energy: -2.126 local terms energy: -343.803546 where: bonds (distance) C4'-P energy: -94.119 bonds (distance) P-C4' energy: -88.819 flat angles C4'-P-C4' energy: -87.484 flat angles P-C4'-P energy: -47.120 tors. eta vs tors. theta energy: -26.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -566.682270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.682270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.682270 (E_RNA) where: Base-Base interactions energy: -308.516 where: short stacking energy: -162.220 Base-Backbone interact. energy: -0.260 local terms energy: -257.906784 where: bonds (distance) C4'-P energy: -68.401 bonds (distance) P-C4' energy: -88.004 flat angles C4'-P-C4' energy: -72.703 flat angles P-C4'-P energy: -41.766 tors. eta vs tors. theta energy: 12.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1884.848208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.848208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.848208 (E_RNA) where: Base-Base interactions energy: -1309.298 where: short stacking energy: -522.389 Base-Backbone interact. energy: -2.822 local terms energy: -572.728449 where: bonds (distance) C4'-P energy: -107.806 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -126.162 flat angles P-C4'-P energy: -82.534 tors. eta vs tors. theta energy: -149.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1847.520036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.520036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.520036 (E_RNA) where: Base-Base interactions energy: -1257.002 where: short stacking energy: -541.254 Base-Backbone interact. energy: -2.008 local terms energy: -588.509979 where: bonds (distance) C4'-P energy: -106.027 bonds (distance) P-C4' energy: -115.686 flat angles C4'-P-C4' energy: -119.907 flat angles P-C4'-P energy: -78.947 tors. eta vs tors. theta energy: -167.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1719.179497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.179497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.179497 (E_RNA) where: Base-Base interactions energy: -1179.895 where: short stacking energy: -520.467 Base-Backbone interact. energy: -4.199 local terms energy: -535.085793 where: bonds (distance) C4'-P energy: -86.929 bonds (distance) P-C4' energy: -104.891 flat angles C4'-P-C4' energy: -114.718 flat angles P-C4'-P energy: -81.631 tors. eta vs tors. theta energy: -146.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1675.481565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.481565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.481565 (E_RNA) where: Base-Base interactions energy: -1145.409 where: short stacking energy: -488.540 Base-Backbone interact. energy: -2.254 local terms energy: -527.819035 where: bonds (distance) C4'-P energy: -103.294 bonds (distance) P-C4' energy: -98.381 flat angles C4'-P-C4' energy: -116.971 flat angles P-C4'-P energy: -74.274 tors. eta vs tors. theta energy: -134.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1545.309340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.309340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.309340 (E_RNA) where: Base-Base interactions energy: -1054.155 where: short stacking energy: -454.439 Base-Backbone interact. energy: 0.357 local terms energy: -491.512096 where: bonds (distance) C4'-P energy: -99.884 bonds (distance) P-C4' energy: -98.228 flat angles C4'-P-C4' energy: -100.608 flat angles P-C4'-P energy: -67.809 tors. eta vs tors. theta energy: -124.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1458.528476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.528476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.528476 (E_RNA) where: Base-Base interactions energy: -1000.098 where: short stacking energy: -401.179 Base-Backbone interact. energy: 1.706 local terms energy: -460.136275 where: bonds (distance) C4'-P energy: -76.452 bonds (distance) P-C4' energy: -99.368 flat angles C4'-P-C4' energy: -112.622 flat angles P-C4'-P energy: -72.568 tors. eta vs tors. theta energy: -99.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1404.834302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.834302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.834302 (E_RNA) where: Base-Base interactions energy: -954.521 where: short stacking energy: -398.146 Base-Backbone interact. energy: -0.718 local terms energy: -449.595503 where: bonds (distance) C4'-P energy: -82.216 bonds (distance) P-C4' energy: -95.511 flat angles C4'-P-C4' energy: -100.390 flat angles P-C4'-P energy: -61.328 tors. eta vs tors. theta energy: -110.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1190.874264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.874264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.874264 (E_RNA) where: Base-Base interactions energy: -777.318 where: short stacking energy: -340.406 Base-Backbone interact. energy: -1.340 local terms energy: -412.215632 where: bonds (distance) C4'-P energy: -88.422 bonds (distance) P-C4' energy: -92.238 flat angles C4'-P-C4' energy: -88.625 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: -78.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -901.084179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.084179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.084179 (E_RNA) where: Base-Base interactions energy: -537.743 where: short stacking energy: -248.054 Base-Backbone interact. energy: 0.651 local terms energy: -363.992928 where: bonds (distance) C4'-P energy: -86.535 bonds (distance) P-C4' energy: -91.283 flat angles C4'-P-C4' energy: -77.821 flat angles P-C4'-P energy: -63.516 tors. eta vs tors. theta energy: -44.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -522.166641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.166641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.166641 (E_RNA) where: Base-Base interactions energy: -231.593 where: short stacking energy: -150.070 Base-Backbone interact. energy: 7.980 local terms energy: -298.553360 where: bonds (distance) C4'-P energy: -91.110 bonds (distance) P-C4' energy: -84.978 flat angles C4'-P-C4' energy: -70.394 flat angles P-C4'-P energy: -47.775 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1878.729131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.729131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.729131 (E_RNA) where: Base-Base interactions energy: -1276.372 where: short stacking energy: -528.002 Base-Backbone interact. energy: -4.229 local terms energy: -598.127812 where: bonds (distance) C4'-P energy: -104.244 bonds (distance) P-C4' energy: -110.606 flat angles C4'-P-C4' energy: -123.149 flat angles P-C4'-P energy: -100.057 tors. eta vs tors. theta energy: -160.071 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: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1863.867822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.867822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.867822 (E_RNA) where: Base-Base interactions energy: -1262.083 where: short stacking energy: -563.995 Base-Backbone interact. energy: -1.986 local terms energy: -599.798284 where: bonds (distance) C4'-P energy: -114.432 bonds (distance) P-C4' energy: -96.793 flat angles C4'-P-C4' energy: -127.779 flat angles P-C4'-P energy: -87.161 tors. eta vs tors. theta energy: -173.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1708.637230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.637230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.637230 (E_RNA) where: Base-Base interactions energy: -1183.489 where: short stacking energy: -471.215 Base-Backbone interact. energy: -5.626 local terms energy: -519.521541 where: bonds (distance) C4'-P energy: -91.363 bonds (distance) P-C4' energy: -112.303 flat angles C4'-P-C4' energy: -106.426 flat angles P-C4'-P energy: -64.980 tors. eta vs tors. theta energy: -144.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1702.169864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.169864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.169864 (E_RNA) where: Base-Base interactions energy: -1168.631 where: short stacking energy: -502.231 Base-Backbone interact. energy: -0.770 local terms energy: -532.768691 where: bonds (distance) C4'-P energy: -87.327 bonds (distance) P-C4' energy: -110.486 flat angles C4'-P-C4' energy: -117.266 flat angles P-C4'-P energy: -75.198 tors. eta vs tors. theta energy: -142.491 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: 4 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1581.167647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.167647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.167647 (E_RNA) where: Base-Base interactions energy: -1059.361 where: short stacking energy: -465.525 Base-Backbone interact. energy: -2.520 local terms energy: -519.286671 where: bonds (distance) C4'-P energy: -107.237 bonds (distance) P-C4' energy: -107.459 flat angles C4'-P-C4' energy: -105.445 flat angles P-C4'-P energy: -72.673 tors. eta vs tors. theta energy: -126.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1451.813233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.813233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.813233 (E_RNA) where: Base-Base interactions energy: -1009.361 where: short stacking energy: -405.616 Base-Backbone interact. energy: 0.403 local terms energy: -442.855200 where: bonds (distance) C4'-P energy: -88.214 bonds (distance) P-C4' energy: -97.898 flat angles C4'-P-C4' energy: -86.066 flat angles P-C4'-P energy: -72.194 tors. eta vs tors. theta energy: -98.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1414.846269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.846269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.846269 (E_RNA) where: Base-Base interactions energy: -950.222 where: short stacking energy: -397.049 Base-Backbone interact. energy: -0.644 local terms energy: -463.980499 where: bonds (distance) C4'-P energy: -86.633 bonds (distance) P-C4' energy: -96.502 flat angles C4'-P-C4' energy: -104.674 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: -115.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1153.870795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.870795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.870795 (E_RNA) where: Base-Base interactions energy: -729.508 where: short stacking energy: -317.157 Base-Backbone interact. energy: -2.695 local terms energy: -421.667934 where: bonds (distance) C4'-P energy: -78.574 bonds (distance) P-C4' energy: -109.232 flat angles C4'-P-C4' energy: -97.639 flat angles P-C4'-P energy: -62.805 tors. eta vs tors. theta energy: -73.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -785.366544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.366544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.366544 (E_RNA) where: Base-Base interactions energy: -461.745 where: short stacking energy: -203.110 Base-Backbone interact. energy: 3.076 local terms energy: -326.697116 where: bonds (distance) C4'-P energy: -85.622 bonds (distance) P-C4' energy: -99.955 flat angles C4'-P-C4' energy: -96.009 flat angles P-C4'-P energy: -43.739 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -545.545098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.545098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.545098 (E_RNA) where: Base-Base interactions energy: -244.339 where: short stacking energy: -163.692 Base-Backbone interact. energy: 4.767 local terms energy: -305.973419 where: bonds (distance) C4'-P energy: -92.835 bonds (distance) P-C4' energy: -78.528 flat angles C4'-P-C4' energy: -89.538 flat angles P-C4'-P energy: -34.385 tors. eta vs tors. theta energy: -10.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1883.862535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.862535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.862535 (E_RNA) where: Base-Base interactions energy: -1303.927 where: short stacking energy: -530.806 Base-Backbone interact. energy: -2.695 local terms energy: -577.240764 where: bonds (distance) C4'-P energy: -95.040 bonds (distance) P-C4' energy: -115.164 flat angles C4'-P-C4' energy: -123.866 flat angles P-C4'-P energy: -94.142 tors. eta vs tors. theta energy: -149.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1833.540449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.540449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.540449 (E_RNA) where: Base-Base interactions energy: -1253.588 where: short stacking energy: -556.006 Base-Backbone interact. energy: -2.199 local terms energy: -577.753626 where: bonds (distance) C4'-P energy: -106.975 bonds (distance) P-C4' energy: -102.762 flat angles C4'-P-C4' energy: -120.267 flat angles P-C4'-P energy: -74.685 tors. eta vs tors. theta energy: -173.065 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: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1729.094790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.094790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.094790 (E_RNA) where: Base-Base interactions energy: -1184.957 where: short stacking energy: -490.503 Base-Backbone interact. energy: -4.249 local terms energy: -539.888718 where: bonds (distance) C4'-P energy: -107.426 bonds (distance) P-C4' energy: -96.338 flat angles C4'-P-C4' energy: -116.254 flat angles P-C4'-P energy: -83.143 tors. eta vs tors. theta energy: -136.728 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: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1702.653117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.653117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.653117 (E_RNA) where: Base-Base interactions energy: -1161.582 where: short stacking energy: -506.234 Base-Backbone interact. energy: -5.986 local terms energy: -535.084923 where: bonds (distance) C4'-P energy: -108.093 bonds (distance) P-C4' energy: -92.859 flat angles C4'-P-C4' energy: -121.235 flat angles P-C4'-P energy: -69.293 tors. eta vs tors. theta energy: -143.605 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: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1575.032727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.032727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.032727 (E_RNA) where: Base-Base interactions energy: -1072.407 where: short stacking energy: -441.714 Base-Backbone interact. energy: 0.687 local terms energy: -503.312985 where: bonds (distance) C4'-P energy: -102.562 bonds (distance) P-C4' energy: -97.496 flat angles C4'-P-C4' energy: -114.115 flat angles P-C4'-P energy: -64.728 tors. eta vs tors. theta energy: -124.413 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: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1463.751795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.751795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.751795 (E_RNA) where: Base-Base interactions energy: -1005.748 where: short stacking energy: -420.488 Base-Backbone interact. energy: 3.653 local terms energy: -461.656768 where: bonds (distance) C4'-P energy: -102.500 bonds (distance) P-C4' energy: -86.693 flat angles C4'-P-C4' energy: -102.471 flat angles P-C4'-P energy: -62.702 tors. eta vs tors. theta energy: -107.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1397.257596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.257596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.257596 (E_RNA) where: Base-Base interactions energy: -936.489 where: short stacking energy: -399.782 Base-Backbone interact. energy: -0.653 local terms energy: -460.115487 where: bonds (distance) C4'-P energy: -97.100 bonds (distance) P-C4' energy: -89.773 flat angles C4'-P-C4' energy: -105.445 flat angles P-C4'-P energy: -58.178 tors. eta vs tors. theta energy: -109.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1218.933457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.933457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.933457 (E_RNA) where: Base-Base interactions energy: -790.603 where: short stacking energy: -340.673 Base-Backbone interact. energy: -1.844 local terms energy: -426.486352 where: bonds (distance) C4'-P energy: -97.088 bonds (distance) P-C4' energy: -99.292 flat angles C4'-P-C4' energy: -97.820 flat angles P-C4'-P energy: -53.099 tors. eta vs tors. theta energy: -79.188 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: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -792.482300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.482300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.482300 (E_RNA) where: Base-Base interactions energy: -460.311 where: short stacking energy: -217.622 Base-Backbone interact. energy: -2.982 local terms energy: -329.189434 where: bonds (distance) C4'-P energy: -84.824 bonds (distance) P-C4' energy: -88.077 flat angles C4'-P-C4' energy: -94.153 flat angles P-C4'-P energy: -56.558 tors. eta vs tors. theta energy: -5.578 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: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -576.257965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.257965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.257965 (E_RNA) where: Base-Base interactions energy: -283.341 where: short stacking energy: -145.078 Base-Backbone interact. energy: 2.252 local terms energy: -295.168356 where: bonds (distance) C4'-P energy: -80.753 bonds (distance) P-C4' energy: -83.598 flat angles C4'-P-C4' energy: -89.224 flat angles P-C4'-P energy: -48.347 tors. eta vs tors. theta energy: 6.754 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: 129 Temperature: 0.900000 Total energy: -1873.799978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.799978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.799978 (E_RNA) where: Base-Base interactions energy: -1289.191 where: short stacking energy: -551.101 Base-Backbone interact. energy: -0.257 local terms energy: -584.351221 where: bonds (distance) C4'-P energy: -103.104 bonds (distance) P-C4' energy: -107.255 flat angles C4'-P-C4' energy: -127.851 flat angles P-C4'-P energy: -91.207 tors. eta vs tors. theta energy: -154.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1864.648845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.648845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.648845 (E_RNA) where: Base-Base interactions energy: -1275.450 where: short stacking energy: -581.904 Base-Backbone interact. energy: -0.894 local terms energy: -588.305434 where: bonds (distance) C4'-P energy: -100.202 bonds (distance) P-C4' energy: -102.969 flat angles C4'-P-C4' energy: -125.727 flat angles P-C4'-P energy: -82.672 tors. eta vs tors. theta energy: -176.736 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: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1753.775293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.775293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.775293 (E_RNA) where: Base-Base interactions energy: -1207.105 where: short stacking energy: -522.064 Base-Backbone interact. energy: -3.371 local terms energy: -543.299858 where: bonds (distance) C4'-P energy: -101.942 bonds (distance) P-C4' energy: -88.462 flat angles C4'-P-C4' energy: -113.460 flat angles P-C4'-P energy: -90.642 tors. eta vs tors. theta energy: -148.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1741.487000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.487000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.487000 (E_RNA) where: Base-Base interactions energy: -1191.774 where: short stacking energy: -505.751 Base-Backbone interact. energy: -2.830 local terms energy: -546.882688 where: bonds (distance) C4'-P energy: -99.751 bonds (distance) P-C4' energy: -100.505 flat angles C4'-P-C4' energy: -111.024 flat angles P-C4'-P energy: -82.534 tors. eta vs tors. theta energy: -153.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1562.242851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.242851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.242851 (E_RNA) where: Base-Base interactions energy: -1069.416 where: short stacking energy: -449.802 Base-Backbone interact. energy: -1.078 local terms energy: -491.748580 where: bonds (distance) C4'-P energy: -96.925 bonds (distance) P-C4' energy: -93.525 flat angles C4'-P-C4' energy: -108.596 flat angles P-C4'-P energy: -70.881 tors. eta vs tors. theta energy: -121.822 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: 129 Temperature: 1.150000 Total energy: -1460.185333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.185333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.185333 (E_RNA) where: Base-Base interactions energy: -991.829 where: short stacking energy: -393.543 Base-Backbone interact. energy: -2.722 local terms energy: -465.634276 where: bonds (distance) C4'-P energy: -90.689 bonds (distance) P-C4' energy: -96.333 flat angles C4'-P-C4' energy: -99.477 flat angles P-C4'-P energy: -66.132 tors. eta vs tors. theta energy: -113.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1410.247700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.247700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.247700 (E_RNA) where: Base-Base interactions energy: -960.951 where: short stacking energy: -389.945 Base-Backbone interact. energy: 1.284 local terms energy: -450.580842 where: bonds (distance) C4'-P energy: -82.825 bonds (distance) P-C4' energy: -103.414 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -57.428 tors. eta vs tors. theta energy: -101.993 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: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1167.871094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.871094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.871094 (E_RNA) where: Base-Base interactions energy: -721.967 where: short stacking energy: -313.143 Base-Backbone interact. energy: -2.300 local terms energy: -443.604840 where: bonds (distance) C4'-P energy: -87.832 bonds (distance) P-C4' energy: -98.060 flat angles C4'-P-C4' energy: -101.206 flat angles P-C4'-P energy: -86.900 tors. eta vs tors. theta energy: -69.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -781.162242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.162242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.162242 (E_RNA) where: Base-Base interactions energy: -449.079 where: short stacking energy: -222.408 Base-Backbone interact. energy: 2.486 local terms energy: -334.569782 where: bonds (distance) C4'-P energy: -92.097 bonds (distance) P-C4' energy: -92.712 flat angles C4'-P-C4' energy: -75.442 flat angles P-C4'-P energy: -55.027 tors. eta vs tors. theta energy: -19.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -597.181378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.181378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.181378 (E_RNA) where: Base-Base interactions energy: -311.756 where: short stacking energy: -168.739 Base-Backbone interact. energy: -1.986 local terms energy: -283.439563 where: bonds (distance) C4'-P energy: -78.898 bonds (distance) P-C4' energy: -97.374 flat angles C4'-P-C4' energy: -72.234 flat angles P-C4'-P energy: -34.945 tors. eta vs tors. theta energy: 0.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1861.236342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.236342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.236342 (E_RNA) where: Base-Base interactions energy: -1305.308 where: short stacking energy: -547.911 Base-Backbone interact. energy: -0.339 local terms energy: -555.588992 where: bonds (distance) C4'-P energy: -97.231 bonds (distance) P-C4' energy: -111.467 flat angles C4'-P-C4' energy: -118.927 flat angles P-C4'-P energy: -75.398 tors. eta vs tors. theta energy: -152.566 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: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1804.092330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.092330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.092330 (E_RNA) where: Base-Base interactions energy: -1218.885 where: short stacking energy: -523.904 Base-Backbone interact. energy: 1.308 local terms energy: -586.515119 where: bonds (distance) C4'-P energy: -99.364 bonds (distance) P-C4' energy: -115.100 flat angles C4'-P-C4' energy: -124.116 flat angles P-C4'-P energy: -86.664 tors. eta vs tors. theta energy: -161.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1746.369711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.369711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.369711 (E_RNA) where: Base-Base interactions energy: -1216.167 where: short stacking energy: -506.480 Base-Backbone interact. energy: -1.212 local terms energy: -528.990332 where: bonds (distance) C4'-P energy: -100.598 bonds (distance) P-C4' energy: -92.650 flat angles C4'-P-C4' energy: -119.167 flat angles P-C4'-P energy: -79.101 tors. eta vs tors. theta energy: -137.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1661.585249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.585249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.585249 (E_RNA) where: Base-Base interactions energy: -1119.798 where: short stacking energy: -474.350 Base-Backbone interact. energy: -2.006 local terms energy: -539.780517 where: bonds (distance) C4'-P energy: -96.355 bonds (distance) P-C4' energy: -103.359 flat angles C4'-P-C4' energy: -114.547 flat angles P-C4'-P energy: -83.062 tors. eta vs tors. theta energy: -142.457 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: 5, replica: 4 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1566.922833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.922833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.922833 (E_RNA) where: Base-Base interactions energy: -1073.380 where: short stacking energy: -441.191 Base-Backbone interact. energy: -2.815 local terms energy: -490.728064 where: bonds (distance) C4'-P energy: -101.776 bonds (distance) P-C4' energy: -101.463 flat angles C4'-P-C4' energy: -113.263 flat angles P-C4'-P energy: -52.842 tors. eta vs tors. theta energy: -121.383 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: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1469.912817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.912817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.912817 (E_RNA) where: Base-Base interactions energy: -1012.607 where: short stacking energy: -411.700 Base-Backbone interact. energy: -2.886 local terms energy: -454.419672 where: bonds (distance) C4'-P energy: -94.581 bonds (distance) P-C4' energy: -92.125 flat angles C4'-P-C4' energy: -103.725 flat angles P-C4'-P energy: -63.845 tors. eta vs tors. theta energy: -100.143 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: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1383.534316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.534316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.534316 (E_RNA) where: Base-Base interactions energy: -941.433 where: short stacking energy: -376.075 Base-Backbone interact. energy: -5.390 local terms energy: -436.710926 where: bonds (distance) C4'-P energy: -83.216 bonds (distance) P-C4' energy: -104.079 flat angles C4'-P-C4' energy: -82.580 flat angles P-C4'-P energy: -66.518 tors. eta vs tors. theta energy: -100.319 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: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1168.781591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.781591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.781591 (E_RNA) where: Base-Base interactions energy: -738.374 where: short stacking energy: -322.714 Base-Backbone interact. energy: 0.366 local terms energy: -430.773464 where: bonds (distance) C4'-P energy: -92.921 bonds (distance) P-C4' energy: -110.096 flat angles C4'-P-C4' energy: -86.473 flat angles P-C4'-P energy: -68.076 tors. eta vs tors. theta energy: -73.207 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: 130 Temperature: 1.300000 Total energy: -776.541365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.541365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.541365 (E_RNA) where: Base-Base interactions energy: -439.933 where: short stacking energy: -224.141 Base-Backbone interact. energy: 0.966 local terms energy: -337.574130 where: bonds (distance) C4'-P energy: -92.148 bonds (distance) P-C4' energy: -98.572 flat angles C4'-P-C4' energy: -79.503 flat angles P-C4'-P energy: -38.330 tors. eta vs tors. theta energy: -29.021 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: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -540.076561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.076561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.076561 (E_RNA) where: Base-Base interactions energy: -242.938 where: short stacking energy: -132.289 Base-Backbone interact. energy: -2.437 local terms energy: -294.701019 where: bonds (distance) C4'-P energy: -77.888 bonds (distance) P-C4' energy: -84.316 flat angles C4'-P-C4' energy: -81.597 flat angles P-C4'-P energy: -63.187 tors. eta vs tors. theta energy: 12.287 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: 131 Temperature: 0.900000 Total energy: -1871.291697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.291697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.291697 (E_RNA) where: Base-Base interactions energy: -1302.018 where: short stacking energy: -539.716 Base-Backbone interact. energy: -2.753 local terms energy: -566.521049 where: bonds (distance) C4'-P energy: -102.705 bonds (distance) P-C4' energy: -107.110 flat angles C4'-P-C4' energy: -120.603 flat angles P-C4'-P energy: -85.060 tors. eta vs tors. theta energy: -151.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1790.892002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.892002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.892002 (E_RNA) where: Base-Base interactions energy: -1201.164 where: short stacking energy: -509.351 Base-Backbone interact. energy: -1.397 local terms energy: -588.330996 where: bonds (distance) C4'-P energy: -113.440 bonds (distance) P-C4' energy: -111.906 flat angles C4'-P-C4' energy: -129.044 flat angles P-C4'-P energy: -76.732 tors. eta vs tors. theta energy: -157.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1741.407665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.407665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.407665 (E_RNA) where: Base-Base interactions energy: -1197.020 where: short stacking energy: -475.809 Base-Backbone interact. energy: -2.470 local terms energy: -541.917481 where: bonds (distance) C4'-P energy: -97.472 bonds (distance) P-C4' energy: -101.354 flat angles C4'-P-C4' energy: -116.741 flat angles P-C4'-P energy: -82.310 tors. eta vs tors. theta energy: -144.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1676.059616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.059616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.059616 (E_RNA) where: Base-Base interactions energy: -1135.491 where: short stacking energy: -481.909 Base-Backbone interact. energy: -3.269 local terms energy: -537.299753 where: bonds (distance) C4'-P energy: -100.497 bonds (distance) P-C4' energy: -108.186 flat angles C4'-P-C4' energy: -117.559 flat angles P-C4'-P energy: -73.342 tors. eta vs tors. theta energy: -137.716 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: 4 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1538.596918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.596918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.596918 (E_RNA) where: Base-Base interactions energy: -1070.309 where: short stacking energy: -429.437 Base-Backbone interact. energy: -1.996 local terms energy: -466.292028 where: bonds (distance) C4'-P energy: -88.750 bonds (distance) P-C4' energy: -100.444 flat angles C4'-P-C4' energy: -105.223 flat angles P-C4'-P energy: -58.275 tors. eta vs tors. theta energy: -113.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1419.721942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.721942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.721942 (E_RNA) where: Base-Base interactions energy: -965.150 where: short stacking energy: -397.469 Base-Backbone interact. energy: -1.629 local terms energy: -452.943278 where: bonds (distance) C4'-P energy: -97.191 bonds (distance) P-C4' energy: -102.992 flat angles C4'-P-C4' energy: -97.833 flat angles P-C4'-P energy: -61.224 tors. eta vs tors. theta energy: -93.704 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: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1341.833995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.833995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.833995 (E_RNA) where: Base-Base interactions energy: -904.671 where: short stacking energy: -365.090 Base-Backbone interact. energy: -6.100 local terms energy: -431.063086 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -90.733 flat angles C4'-P-C4' energy: -100.602 flat angles P-C4'-P energy: -63.254 tors. eta vs tors. theta energy: -83.964 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: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1224.655543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.655543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.655543 (E_RNA) where: Base-Base interactions energy: -822.123 where: short stacking energy: -341.782 Base-Backbone interact. energy: -1.704 local terms energy: -400.828060 where: bonds (distance) C4'-P energy: -86.490 bonds (distance) P-C4' energy: -82.557 flat angles C4'-P-C4' energy: -96.719 flat angles P-C4'-P energy: -48.635 tors. eta vs tors. theta energy: -86.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -806.642369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.642369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.642369 (E_RNA) where: Base-Base interactions energy: -472.811 where: short stacking energy: -247.778 Base-Backbone interact. energy: 0.066 local terms energy: -333.897412 where: bonds (distance) C4'-P energy: -79.067 bonds (distance) P-C4' energy: -86.894 flat angles C4'-P-C4' energy: -81.909 flat angles P-C4'-P energy: -42.783 tors. eta vs tors. theta energy: -43.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -543.376107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.376107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.376107 (E_RNA) where: Base-Base interactions energy: -261.001 where: short stacking energy: -149.595 Base-Backbone interact. energy: 0.766 local terms energy: -283.141076 where: bonds (distance) C4'-P energy: -87.440 bonds (distance) P-C4' energy: -99.393 flat angles C4'-P-C4' energy: -78.677 flat angles P-C4'-P energy: -33.186 tors. eta vs tors. theta energy: 15.554 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: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1864.508460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.508460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.508460 (E_RNA) where: Base-Base interactions energy: -1307.331 where: short stacking energy: -544.264 Base-Backbone interact. energy: -0.112 local terms energy: -557.065408 where: bonds (distance) C4'-P energy: -112.671 bonds (distance) P-C4' energy: -113.819 flat angles C4'-P-C4' energy: -107.873 flat angles P-C4'-P energy: -72.703 tors. eta vs tors. theta energy: -149.999 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: 132 Temperature: 0.950000 Total energy: -1847.607332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.607332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.607332 (E_RNA) where: Base-Base interactions energy: -1252.931 where: short stacking energy: -570.955 Base-Backbone interact. energy: -0.464 local terms energy: -594.213011 where: bonds (distance) C4'-P energy: -107.636 bonds (distance) P-C4' energy: -103.563 flat angles C4'-P-C4' energy: -126.448 flat angles P-C4'-P energy: -86.741 tors. eta vs tors. theta energy: -169.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1739.279472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.279472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.279472 (E_RNA) where: Base-Base interactions energy: -1189.153 where: short stacking energy: -482.531 Base-Backbone interact. energy: -2.928 local terms energy: -547.198471 where: bonds (distance) C4'-P energy: -95.181 bonds (distance) P-C4' energy: -110.146 flat angles C4'-P-C4' energy: -106.695 flat angles P-C4'-P energy: -90.269 tors. eta vs tors. theta energy: -144.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1674.747561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.747561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.747561 (E_RNA) where: Base-Base interactions energy: -1144.200 where: short stacking energy: -483.250 Base-Backbone interact. energy: -3.149 local terms energy: -527.398577 where: bonds (distance) C4'-P energy: -96.831 bonds (distance) P-C4' energy: -104.813 flat angles C4'-P-C4' energy: -120.960 flat angles P-C4'-P energy: -76.509 tors. eta vs tors. theta energy: -128.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1538.747059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.747059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.747059 (E_RNA) where: Base-Base interactions energy: -1050.357 where: short stacking energy: -423.251 Base-Backbone interact. energy: -3.518 local terms energy: -484.872322 where: bonds (distance) C4'-P energy: -86.207 bonds (distance) P-C4' energy: -110.431 flat angles C4'-P-C4' energy: -112.112 flat angles P-C4'-P energy: -64.925 tors. eta vs tors. theta energy: -111.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1440.445776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.445776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.445776 (E_RNA) where: Base-Base interactions energy: -971.892 where: short stacking energy: -411.446 Base-Backbone interact. energy: -1.468 local terms energy: -467.085369 where: bonds (distance) C4'-P energy: -94.776 bonds (distance) P-C4' energy: -94.996 flat angles C4'-P-C4' energy: -102.205 flat angles P-C4'-P energy: -74.972 tors. eta vs tors. theta energy: -100.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1400.019868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.019868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.019868 (E_RNA) where: Base-Base interactions energy: -962.236 where: short stacking energy: -397.034 Base-Backbone interact. energy: 1.554 local terms energy: -439.337252 where: bonds (distance) C4'-P energy: -82.753 bonds (distance) P-C4' energy: -103.507 flat angles C4'-P-C4' energy: -103.499 flat angles P-C4'-P energy: -51.490 tors. eta vs tors. theta energy: -98.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1298.605719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.605719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.605719 (E_RNA) where: Base-Base interactions energy: -865.728 where: short stacking energy: -394.426 Base-Backbone interact. energy: 3.103 local terms energy: -435.980182 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -97.265 flat angles C4'-P-C4' energy: -87.671 flat angles P-C4'-P energy: -67.004 tors. eta vs tors. theta energy: -103.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -850.428281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.428281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.428281 (E_RNA) where: Base-Base interactions energy: -510.346 where: short stacking energy: -215.927 Base-Backbone interact. energy: -4.883 local terms energy: -335.198687 where: bonds (distance) C4'-P energy: -81.286 bonds (distance) P-C4' energy: -85.408 flat angles C4'-P-C4' energy: -89.877 flat angles P-C4'-P energy: -49.948 tors. eta vs tors. theta energy: -28.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -581.642916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.642916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.642916 (E_RNA) where: Base-Base interactions energy: -284.105 where: short stacking energy: -173.076 Base-Backbone interact. energy: 0.192 local terms energy: -297.730109 where: bonds (distance) C4'-P energy: -72.539 bonds (distance) P-C4' energy: -72.302 flat angles C4'-P-C4' energy: -95.298 flat angles P-C4'-P energy: -61.807 tors. eta vs tors. theta energy: 4.216 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: 133 Temperature: 0.900000 Total energy: -1881.816919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.816919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.816919 (E_RNA) where: Base-Base interactions energy: -1284.949 where: short stacking energy: -548.677 Base-Backbone interact. energy: 0.231 local terms energy: -597.098663 where: bonds (distance) C4'-P energy: -117.379 bonds (distance) P-C4' energy: -119.152 flat angles C4'-P-C4' energy: -122.981 flat angles P-C4'-P energy: -74.342 tors. eta vs tors. theta energy: -163.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1825.428465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.428465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.428465 (E_RNA) where: Base-Base interactions energy: -1249.018 where: short stacking energy: -543.868 Base-Backbone interact. energy: -2.597 local terms energy: -573.813563 where: bonds (distance) C4'-P energy: -103.312 bonds (distance) P-C4' energy: -102.590 flat angles C4'-P-C4' energy: -130.400 flat angles P-C4'-P energy: -80.693 tors. eta vs tors. theta energy: -156.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1743.408140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.408140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.408140 (E_RNA) where: Base-Base interactions energy: -1211.887 where: short stacking energy: -476.929 Base-Backbone interact. energy: 4.048 local terms energy: -535.569366 where: bonds (distance) C4'-P energy: -103.356 bonds (distance) P-C4' energy: -99.264 flat angles C4'-P-C4' energy: -118.068 flat angles P-C4'-P energy: -82.273 tors. eta vs tors. theta energy: -132.610 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: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1666.621388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.621388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.621388 (E_RNA) where: Base-Base interactions energy: -1142.888 where: short stacking energy: -483.347 Base-Backbone interact. energy: -6.280 local terms energy: -517.453904 where: bonds (distance) C4'-P energy: -106.243 bonds (distance) P-C4' energy: -96.890 flat angles C4'-P-C4' energy: -103.286 flat angles P-C4'-P energy: -77.597 tors. eta vs tors. theta energy: -133.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1542.856274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.856274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.856274 (E_RNA) where: Base-Base interactions energy: -1055.473 where: short stacking energy: -472.997 Base-Backbone interact. energy: 2.172 local terms energy: -489.554673 where: bonds (distance) C4'-P energy: -93.367 bonds (distance) P-C4' energy: -103.329 flat angles C4'-P-C4' energy: -104.450 flat angles P-C4'-P energy: -64.514 tors. eta vs tors. theta energy: -123.896 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: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1456.407074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.407074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.407074 (E_RNA) where: Base-Base interactions energy: -980.548 where: short stacking energy: -405.718 Base-Backbone interact. energy: -1.390 local terms energy: -474.469156 where: bonds (distance) C4'-P energy: -91.943 bonds (distance) P-C4' energy: -107.194 flat angles C4'-P-C4' energy: -105.782 flat angles P-C4'-P energy: -67.089 tors. eta vs tors. theta energy: -102.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1388.395016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.395016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.395016 (E_RNA) where: Base-Base interactions energy: -922.141 where: short stacking energy: -417.967 Base-Backbone interact. energy: 0.475 local terms energy: -466.728712 where: bonds (distance) C4'-P energy: -90.642 bonds (distance) P-C4' energy: -108.275 flat angles C4'-P-C4' energy: -104.461 flat angles P-C4'-P energy: -58.566 tors. eta vs tors. theta energy: -104.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1328.976317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.976317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.976317 (E_RNA) where: Base-Base interactions energy: -893.036 where: short stacking energy: -369.396 Base-Backbone interact. energy: -1.145 local terms energy: -434.795958 where: bonds (distance) C4'-P energy: -80.753 bonds (distance) P-C4' energy: -82.821 flat angles C4'-P-C4' energy: -92.094 flat angles P-C4'-P energy: -72.837 tors. eta vs tors. theta energy: -106.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -913.227544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.227544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.227544 (E_RNA) where: Base-Base interactions energy: -557.485 where: short stacking energy: -252.360 Base-Backbone interact. energy: -0.596 local terms energy: -355.145773 where: bonds (distance) C4'-P energy: -83.341 bonds (distance) P-C4' energy: -100.035 flat angles C4'-P-C4' energy: -83.691 flat angles P-C4'-P energy: -43.063 tors. eta vs tors. theta energy: -45.016 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: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -511.834829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.834829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.834829 (E_RNA) where: Base-Base interactions energy: -211.751 where: short stacking energy: -132.127 Base-Backbone interact. energy: -1.034 local terms energy: -299.049832 where: bonds (distance) C4'-P energy: -97.014 bonds (distance) P-C4' energy: -83.156 flat angles C4'-P-C4' energy: -83.200 flat angles P-C4'-P energy: -44.428 tors. eta vs tors. theta energy: 8.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1872.866112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.866112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.866112 (E_RNA) where: Base-Base interactions energy: -1286.691 where: short stacking energy: -531.759 Base-Backbone interact. energy: -1.147 local terms energy: -585.029040 where: bonds (distance) C4'-P energy: -111.059 bonds (distance) P-C4' energy: -113.293 flat angles C4'-P-C4' energy: -120.426 flat angles P-C4'-P energy: -79.198 tors. eta vs tors. theta energy: -161.053 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: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1820.616787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.616787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.616787 (E_RNA) where: Base-Base interactions energy: -1228.094 where: short stacking energy: -561.281 Base-Backbone interact. energy: -1.358 local terms energy: -591.165175 where: bonds (distance) C4'-P energy: -104.243 bonds (distance) P-C4' energy: -105.608 flat angles C4'-P-C4' energy: -121.671 flat angles P-C4'-P energy: -94.748 tors. eta vs tors. theta energy: -164.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1759.360352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.360352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.360352 (E_RNA) where: Base-Base interactions energy: -1213.708 where: short stacking energy: -506.256 Base-Backbone interact. energy: -1.529 local terms energy: -544.123488 where: bonds (distance) C4'-P energy: -119.487 bonds (distance) P-C4' energy: -96.456 flat angles C4'-P-C4' energy: -113.046 flat angles P-C4'-P energy: -71.869 tors. eta vs tors. theta energy: -143.265 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: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1681.048134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.048134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.048134 (E_RNA) where: Base-Base interactions energy: -1167.246 where: short stacking energy: -513.702 Base-Backbone interact. energy: -1.594 local terms energy: -512.207795 where: bonds (distance) C4'-P energy: -88.031 bonds (distance) P-C4' energy: -92.128 flat angles C4'-P-C4' energy: -111.225 flat angles P-C4'-P energy: -79.301 tors. eta vs tors. theta energy: -141.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1566.399975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.399975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.399975 (E_RNA) where: Base-Base interactions energy: -1039.278 where: short stacking energy: -439.912 Base-Backbone interact. energy: -2.999 local terms energy: -524.122772 where: bonds (distance) C4'-P energy: -84.502 bonds (distance) P-C4' energy: -117.486 flat angles C4'-P-C4' energy: -117.669 flat angles P-C4'-P energy: -73.734 tors. eta vs tors. theta energy: -130.732 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: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1479.827358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.827358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.827358 (E_RNA) where: Base-Base interactions energy: -1016.166 where: short stacking energy: -442.300 Base-Backbone interact. energy: -2.078 local terms energy: -461.584009 where: bonds (distance) C4'-P energy: -84.531 bonds (distance) P-C4' energy: -94.978 flat angles C4'-P-C4' energy: -101.593 flat angles P-C4'-P energy: -63.937 tors. eta vs tors. theta energy: -116.546 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: 134 Temperature: 1.200000 Total energy: -1369.287890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.287890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.287890 (E_RNA) where: Base-Base interactions energy: -932.201 where: short stacking energy: -393.931 Base-Backbone interact. energy: 3.867 local terms energy: -440.953992 where: bonds (distance) C4'-P energy: -82.965 bonds (distance) P-C4' energy: -98.477 flat angles C4'-P-C4' energy: -96.950 flat angles P-C4'-P energy: -65.630 tors. eta vs tors. theta energy: -96.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1345.391141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.391141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.391141 (E_RNA) where: Base-Base interactions energy: -894.586 where: short stacking energy: -362.905 Base-Backbone interact. energy: -1.445 local terms energy: -449.359914 where: bonds (distance) C4'-P energy: -90.926 bonds (distance) P-C4' energy: -101.150 flat angles C4'-P-C4' energy: -95.681 flat angles P-C4'-P energy: -67.760 tors. eta vs tors. theta energy: -93.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -927.338318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.338318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.338318 (E_RNA) where: Base-Base interactions energy: -571.802 where: short stacking energy: -259.256 Base-Backbone interact. energy: 1.660 local terms energy: -357.196511 where: bonds (distance) C4'-P energy: -83.094 bonds (distance) P-C4' energy: -100.943 flat angles C4'-P-C4' energy: -81.405 flat angles P-C4'-P energy: -57.748 tors. eta vs tors. theta energy: -34.006 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: 10, replica: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -550.899132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.899132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.899132 (E_RNA) where: Base-Base interactions energy: -261.633 where: short stacking energy: -145.267 Base-Backbone interact. energy: -1.549 local terms energy: -287.717760 where: bonds (distance) C4'-P energy: -89.233 bonds (distance) P-C4' energy: -81.084 flat angles C4'-P-C4' energy: -83.762 flat angles P-C4'-P energy: -52.225 tors. eta vs tors. theta energy: 18.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1887.167696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.167696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.167696 (E_RNA) where: Base-Base interactions energy: -1314.814 where: short stacking energy: -541.716 Base-Backbone interact. energy: -2.266 local terms energy: -570.087706 where: bonds (distance) C4'-P energy: -105.537 bonds (distance) P-C4' energy: -112.116 flat angles C4'-P-C4' energy: -121.996 flat angles P-C4'-P energy: -63.895 tors. eta vs tors. theta energy: -166.544 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: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1853.260895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.260895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.260895 (E_RNA) where: Base-Base interactions energy: -1266.055 where: short stacking energy: -566.512 Base-Backbone interact. energy: 1.659 local terms energy: -588.865732 where: bonds (distance) C4'-P energy: -116.405 bonds (distance) P-C4' energy: -97.486 flat angles C4'-P-C4' energy: -119.619 flat angles P-C4'-P energy: -95.114 tors. eta vs tors. theta energy: -160.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1761.021931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.021931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.021931 (E_RNA) where: Base-Base interactions energy: -1218.314 where: short stacking energy: -497.323 Base-Backbone interact. energy: -4.955 local terms energy: -537.752599 where: bonds (distance) C4'-P energy: -93.851 bonds (distance) P-C4' energy: -108.829 flat angles C4'-P-C4' energy: -120.282 flat angles P-C4'-P energy: -83.063 tors. eta vs tors. theta energy: -131.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1702.350803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.350803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.350803 (E_RNA) where: Base-Base interactions energy: -1151.025 where: short stacking energy: -507.894 Base-Backbone interact. energy: -2.410 local terms energy: -548.916332 where: bonds (distance) C4'-P energy: -96.427 bonds (distance) P-C4' energy: -112.853 flat angles C4'-P-C4' energy: -119.663 flat angles P-C4'-P energy: -80.142 tors. eta vs tors. theta energy: -139.832 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: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1555.253542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.253542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.253542 (E_RNA) where: Base-Base interactions energy: -1041.470 where: short stacking energy: -439.135 Base-Backbone interact. energy: -3.812 local terms energy: -509.971629 where: bonds (distance) C4'-P energy: -103.979 bonds (distance) P-C4' energy: -111.843 flat angles C4'-P-C4' energy: -105.088 flat angles P-C4'-P energy: -68.705 tors. eta vs tors. theta energy: -120.357 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: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1473.934139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.934139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.934139 (E_RNA) where: Base-Base interactions energy: -992.945 where: short stacking energy: -425.784 Base-Backbone interact. energy: -2.582 local terms energy: -478.407272 where: bonds (distance) C4'-P energy: -101.564 bonds (distance) P-C4' energy: -90.712 flat angles C4'-P-C4' energy: -110.530 flat angles P-C4'-P energy: -58.348 tors. eta vs tors. theta energy: -117.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1453.760912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.760912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.760912 (E_RNA) where: Base-Base interactions energy: -994.321 where: short stacking energy: -410.710 Base-Backbone interact. energy: 1.940 local terms energy: -461.379438 where: bonds (distance) C4'-P energy: -106.990 bonds (distance) P-C4' energy: -102.171 flat angles C4'-P-C4' energy: -83.797 flat angles P-C4'-P energy: -72.439 tors. eta vs tors. theta energy: -95.983 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: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1247.918340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.918340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.918340 (E_RNA) where: Base-Base interactions energy: -818.012 where: short stacking energy: -355.793 Base-Backbone interact. energy: -1.412 local terms energy: -428.494981 where: bonds (distance) C4'-P energy: -85.972 bonds (distance) P-C4' energy: -92.758 flat angles C4'-P-C4' energy: -104.860 flat angles P-C4'-P energy: -49.278 tors. eta vs tors. theta energy: -95.627 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: 9 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -945.688601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.688601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.688601 (E_RNA) where: Base-Base interactions energy: -549.324 where: short stacking energy: -245.493 Base-Backbone interact. energy: -4.367 local terms energy: -391.997711 where: bonds (distance) C4'-P energy: -99.036 bonds (distance) P-C4' energy: -102.707 flat angles C4'-P-C4' energy: -94.715 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: -46.698 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: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -576.472853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.472853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.472853 (E_RNA) where: Base-Base interactions energy: -272.249 where: short stacking energy: -162.844 Base-Backbone interact. energy: 1.650 local terms energy: -305.873339 where: bonds (distance) C4'-P energy: -89.393 bonds (distance) P-C4' energy: -95.583 flat angles C4'-P-C4' energy: -83.390 flat angles P-C4'-P energy: -37.669 tors. eta vs tors. theta energy: 0.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1886.356198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.356198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.356198 (E_RNA) where: Base-Base interactions energy: -1303.551 where: short stacking energy: -541.291 Base-Backbone interact. energy: -3.062 local terms energy: -579.743173 where: bonds (distance) C4'-P energy: -108.356 bonds (distance) P-C4' energy: -95.702 flat angles C4'-P-C4' energy: -118.820 flat angles P-C4'-P energy: -87.042 tors. eta vs tors. theta energy: -169.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1834.640687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.640687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.640687 (E_RNA) where: Base-Base interactions energy: -1228.296 where: short stacking energy: -544.723 Base-Backbone interact. energy: -3.294 local terms energy: -603.050336 where: bonds (distance) C4'-P energy: -106.523 bonds (distance) P-C4' energy: -125.895 flat angles C4'-P-C4' energy: -122.615 flat angles P-C4'-P energy: -89.397 tors. eta vs tors. theta energy: -158.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1773.138709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.138709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.138709 (E_RNA) where: Base-Base interactions energy: -1224.903 where: short stacking energy: -481.749 Base-Backbone interact. energy: -3.493 local terms energy: -544.743104 where: bonds (distance) C4'-P energy: -105.328 bonds (distance) P-C4' energy: -98.967 flat angles C4'-P-C4' energy: -121.862 flat angles P-C4'-P energy: -77.811 tors. eta vs tors. theta energy: -140.774 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: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1651.112893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.112893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.112893 (E_RNA) where: Base-Base interactions energy: -1143.074 where: short stacking energy: -468.788 Base-Backbone interact. energy: -1.474 local terms energy: -506.565020 where: bonds (distance) C4'-P energy: -92.931 bonds (distance) P-C4' energy: -97.986 flat angles C4'-P-C4' energy: -114.952 flat angles P-C4'-P energy: -73.002 tors. eta vs tors. theta energy: -127.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1578.576143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.576143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.576143 (E_RNA) where: Base-Base interactions energy: -1080.499 where: short stacking energy: -482.103 Base-Backbone interact. energy: -1.398 local terms energy: -496.679139 where: bonds (distance) C4'-P energy: -75.929 bonds (distance) P-C4' energy: -105.764 flat angles C4'-P-C4' energy: -112.663 flat angles P-C4'-P energy: -74.100 tors. eta vs tors. theta energy: -128.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1521.882245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.882245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.882245 (E_RNA) where: Base-Base interactions energy: -1058.678 where: short stacking energy: -454.928 Base-Backbone interact. energy: -4.023 local terms energy: -459.181414 where: bonds (distance) C4'-P energy: -69.535 bonds (distance) P-C4' energy: -88.186 flat angles C4'-P-C4' energy: -104.754 flat angles P-C4'-P energy: -68.566 tors. eta vs tors. theta energy: -128.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1379.287312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.287312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.287312 (E_RNA) where: Base-Base interactions energy: -939.345 where: short stacking energy: -382.712 Base-Backbone interact. energy: -0.569 local terms energy: -439.373721 where: bonds (distance) C4'-P energy: -98.105 bonds (distance) P-C4' energy: -102.260 flat angles C4'-P-C4' energy: -95.814 flat angles P-C4'-P energy: -56.561 tors. eta vs tors. theta energy: -86.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1253.283443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.283443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.283443 (E_RNA) where: Base-Base interactions energy: -854.267 where: short stacking energy: -370.972 Base-Backbone interact. energy: -2.567 local terms energy: -396.449008 where: bonds (distance) C4'-P energy: -72.676 bonds (distance) P-C4' energy: -86.688 flat angles C4'-P-C4' energy: -93.711 flat angles P-C4'-P energy: -57.988 tors. eta vs tors. theta energy: -85.386 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: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -871.124709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.124709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.124709 (E_RNA) where: Base-Base interactions energy: -544.556 where: short stacking energy: -251.782 Base-Backbone interact. energy: -2.512 local terms energy: -324.056976 where: bonds (distance) C4'-P energy: -78.818 bonds (distance) P-C4' energy: -116.214 flat angles C4'-P-C4' energy: -67.903 flat angles P-C4'-P energy: -36.963 tors. eta vs tors. theta energy: -24.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -554.349614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.349614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.349614 (E_RNA) where: Base-Base interactions energy: -226.461 where: short stacking energy: -169.298 Base-Backbone interact. energy: 1.012 local terms energy: -328.900698 where: bonds (distance) C4'-P energy: -100.131 bonds (distance) P-C4' energy: -88.779 flat angles C4'-P-C4' energy: -80.966 flat angles P-C4'-P energy: -52.219 tors. eta vs tors. theta energy: -6.806 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: 137 Temperature: 0.900000 Total energy: -1886.317679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.317679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.317679 (E_RNA) where: Base-Base interactions energy: -1305.804 where: short stacking energy: -554.532 Base-Backbone interact. energy: -0.717 local terms energy: -579.796235 where: bonds (distance) C4'-P energy: -103.007 bonds (distance) P-C4' energy: -107.505 flat angles C4'-P-C4' energy: -123.938 flat angles P-C4'-P energy: -81.576 tors. eta vs tors. theta energy: -163.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1833.985064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.985064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.985064 (E_RNA) where: Base-Base interactions energy: -1245.052 where: short stacking energy: -536.636 Base-Backbone interact. energy: -2.486 local terms energy: -586.447735 where: bonds (distance) C4'-P energy: -112.498 bonds (distance) P-C4' energy: -93.385 flat angles C4'-P-C4' energy: -129.426 flat angles P-C4'-P energy: -91.333 tors. eta vs tors. theta energy: -159.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1759.636546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.636546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.636546 (E_RNA) where: Base-Base interactions energy: -1207.058 where: short stacking energy: -480.829 Base-Backbone interact. energy: -2.310 local terms energy: -550.269254 where: bonds (distance) C4'-P energy: -92.005 bonds (distance) P-C4' energy: -115.704 flat angles C4'-P-C4' energy: -118.572 flat angles P-C4'-P energy: -80.198 tors. eta vs tors. theta energy: -143.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1700.649721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.649721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.649721 (E_RNA) where: Base-Base interactions energy: -1166.584 where: short stacking energy: -514.821 Base-Backbone interact. energy: 0.451 local terms energy: -534.516779 where: bonds (distance) C4'-P energy: -83.799 bonds (distance) P-C4' energy: -106.389 flat angles C4'-P-C4' energy: -119.318 flat angles P-C4'-P energy: -78.452 tors. eta vs tors. theta energy: -146.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1584.740082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.740082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.740082 (E_RNA) where: Base-Base interactions energy: -1084.020 where: short stacking energy: -446.362 Base-Backbone interact. energy: -2.890 local terms energy: -497.830561 where: bonds (distance) C4'-P energy: -94.053 bonds (distance) P-C4' energy: -117.941 flat angles C4'-P-C4' energy: -115.910 flat angles P-C4'-P energy: -55.991 tors. eta vs tors. theta energy: -113.936 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: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1525.556462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.556462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.556462 (E_RNA) where: Base-Base interactions energy: -1036.005 where: short stacking energy: -433.317 Base-Backbone interact. energy: 0.643 local terms energy: -490.194312 where: bonds (distance) C4'-P energy: -94.868 bonds (distance) P-C4' energy: -99.162 flat angles C4'-P-C4' energy: -109.201 flat angles P-C4'-P energy: -60.297 tors. eta vs tors. theta energy: -126.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1399.936215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.936215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.936215 (E_RNA) where: Base-Base interactions energy: -944.037 where: short stacking energy: -398.045 Base-Backbone interact. energy: 2.311 local terms energy: -458.209832 where: bonds (distance) C4'-P energy: -91.874 bonds (distance) P-C4' energy: -88.244 flat angles C4'-P-C4' energy: -113.674 flat angles P-C4'-P energy: -61.802 tors. eta vs tors. theta energy: -102.616 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: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1238.578175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.578175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.578175 (E_RNA) where: Base-Base interactions energy: -815.036 where: short stacking energy: -373.316 Base-Backbone interact. energy: -0.801 local terms energy: -422.740767 where: bonds (distance) C4'-P energy: -91.123 bonds (distance) P-C4' energy: -101.776 flat angles C4'-P-C4' energy: -93.142 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: -87.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -877.578648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.578648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.578648 (E_RNA) where: Base-Base interactions energy: -509.491 where: short stacking energy: -240.490 Base-Backbone interact. energy: 1.923 local terms energy: -370.011062 where: bonds (distance) C4'-P energy: -101.413 bonds (distance) P-C4' energy: -98.727 flat angles C4'-P-C4' energy: -90.310 flat angles P-C4'-P energy: -52.542 tors. eta vs tors. theta energy: -27.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -497.224273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.224273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.224273 (E_RNA) where: Base-Base interactions energy: -203.010 where: short stacking energy: -132.961 Base-Backbone interact. energy: 5.100 local terms energy: -299.313936 where: bonds (distance) C4'-P energy: -90.971 bonds (distance) P-C4' energy: -109.844 flat angles C4'-P-C4' energy: -78.325 flat angles P-C4'-P energy: -40.801 tors. eta vs tors. theta energy: 20.626 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: 138 Temperature: 0.900000 Total energy: -1866.556255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.556255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.556255 (E_RNA) where: Base-Base interactions energy: -1263.413 where: short stacking energy: -540.595 Base-Backbone interact. energy: -0.834 local terms energy: -602.309046 where: bonds (distance) C4'-P energy: -115.109 bonds (distance) P-C4' energy: -115.215 flat angles C4'-P-C4' energy: -128.551 flat angles P-C4'-P energy: -75.462 tors. eta vs tors. theta energy: -167.972 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: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1831.123510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.123510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.123510 (E_RNA) where: Base-Base interactions energy: -1251.332 where: short stacking energy: -566.168 Base-Backbone interact. energy: -0.755 local terms energy: -579.036489 where: bonds (distance) C4'-P energy: -107.471 bonds (distance) P-C4' energy: -103.918 flat angles C4'-P-C4' energy: -116.023 flat angles P-C4'-P energy: -85.631 tors. eta vs tors. theta energy: -165.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1760.870437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.870437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.870437 (E_RNA) where: Base-Base interactions energy: -1219.570 where: short stacking energy: -498.095 Base-Backbone interact. energy: -2.235 local terms energy: -539.065584 where: bonds (distance) C4'-P energy: -98.293 bonds (distance) P-C4' energy: -116.054 flat angles C4'-P-C4' energy: -116.347 flat angles P-C4'-P energy: -74.110 tors. eta vs tors. theta energy: -134.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1658.464390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.464390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.464390 (E_RNA) where: Base-Base interactions energy: -1136.252 where: short stacking energy: -470.037 Base-Backbone interact. energy: -3.332 local terms energy: -518.880213 where: bonds (distance) C4'-P energy: -96.747 bonds (distance) P-C4' energy: -104.971 flat angles C4'-P-C4' energy: -118.286 flat angles P-C4'-P energy: -78.637 tors. eta vs tors. theta energy: -120.240 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: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1553.328105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.328105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.328105 (E_RNA) where: Base-Base interactions energy: -1085.670 where: short stacking energy: -446.414 Base-Backbone interact. energy: -2.699 local terms energy: -464.958795 where: bonds (distance) C4'-P energy: -85.792 bonds (distance) P-C4' energy: -85.426 flat angles C4'-P-C4' energy: -117.467 flat angles P-C4'-P energy: -63.582 tors. eta vs tors. theta energy: -112.691 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: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1509.074530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.074530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.074530 (E_RNA) where: Base-Base interactions energy: -1018.442 where: short stacking energy: -428.327 Base-Backbone interact. energy: -2.335 local terms energy: -488.297479 where: bonds (distance) C4'-P energy: -95.031 bonds (distance) P-C4' energy: -100.959 flat angles C4'-P-C4' energy: -115.169 flat angles P-C4'-P energy: -50.247 tors. eta vs tors. theta energy: -126.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1415.698566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.698566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.698566 (E_RNA) where: Base-Base interactions energy: -951.088 where: short stacking energy: -408.888 Base-Backbone interact. energy: -1.691 local terms energy: -462.919474 where: bonds (distance) C4'-P energy: -91.288 bonds (distance) P-C4' energy: -93.248 flat angles C4'-P-C4' energy: -113.755 flat angles P-C4'-P energy: -62.799 tors. eta vs tors. theta energy: -101.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1185.155270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.155270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.155270 (E_RNA) where: Base-Base interactions energy: -771.388 where: short stacking energy: -352.881 Base-Backbone interact. energy: -0.780 local terms energy: -412.987489 where: bonds (distance) C4'-P energy: -85.662 bonds (distance) P-C4' energy: -87.801 flat angles C4'-P-C4' energy: -104.511 flat angles P-C4'-P energy: -65.755 tors. eta vs tors. theta energy: -69.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -891.187904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.187904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.187904 (E_RNA) where: Base-Base interactions energy: -573.422 where: short stacking energy: -254.729 Base-Backbone interact. energy: 1.830 local terms energy: -319.596195 where: bonds (distance) C4'-P energy: -87.933 bonds (distance) P-C4' energy: -90.495 flat angles C4'-P-C4' energy: -67.283 flat angles P-C4'-P energy: -43.637 tors. eta vs tors. theta energy: -30.248 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: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -524.683116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.683116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.683116 (E_RNA) where: Base-Base interactions energy: -240.369 where: short stacking energy: -147.300 Base-Backbone interact. energy: 2.448 local terms energy: -286.761796 where: bonds (distance) C4'-P energy: -77.693 bonds (distance) P-C4' energy: -92.270 flat angles C4'-P-C4' energy: -69.027 flat angles P-C4'-P energy: -56.083 tors. eta vs tors. theta energy: 8.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1850.793384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.793384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.793384 (E_RNA) where: Base-Base interactions energy: -1262.842 where: short stacking energy: -536.995 Base-Backbone interact. energy: -5.326 local terms energy: -582.624877 where: bonds (distance) C4'-P energy: -109.506 bonds (distance) P-C4' energy: -117.776 flat angles C4'-P-C4' energy: -115.010 flat angles P-C4'-P energy: -89.013 tors. eta vs tors. theta energy: -151.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1825.273983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.273983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.273983 (E_RNA) where: Base-Base interactions energy: -1232.814 where: short stacking energy: -545.801 Base-Backbone interact. energy: -2.291 local terms energy: -590.169036 where: bonds (distance) C4'-P energy: -113.778 bonds (distance) P-C4' energy: -109.428 flat angles C4'-P-C4' energy: -121.464 flat angles P-C4'-P energy: -84.679 tors. eta vs tors. theta energy: -160.819 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: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1761.604415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.604415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.604415 (E_RNA) where: Base-Base interactions energy: -1234.375 where: short stacking energy: -498.868 Base-Backbone interact. energy: -1.808 local terms energy: -525.421625 where: bonds (distance) C4'-P energy: -103.297 bonds (distance) P-C4' energy: -101.001 flat angles C4'-P-C4' energy: -120.063 flat angles P-C4'-P energy: -73.029 tors. eta vs tors. theta energy: -128.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1639.390705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.390705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.390705 (E_RNA) where: Base-Base interactions energy: -1129.799 where: short stacking energy: -470.776 Base-Backbone interact. energy: -3.001 local terms energy: -506.590709 where: bonds (distance) C4'-P energy: -92.283 bonds (distance) P-C4' energy: -95.304 flat angles C4'-P-C4' energy: -103.321 flat angles P-C4'-P energy: -84.643 tors. eta vs tors. theta energy: -131.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1600.967448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.967448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.967448 (E_RNA) where: Base-Base interactions energy: -1096.919 where: short stacking energy: -483.763 Base-Backbone interact. energy: -0.721 local terms energy: -503.326735 where: bonds (distance) C4'-P energy: -104.004 bonds (distance) P-C4' energy: -89.922 flat angles C4'-P-C4' energy: -105.709 flat angles P-C4'-P energy: -75.026 tors. eta vs tors. theta energy: -128.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1516.615896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.615896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.615896 (E_RNA) where: Base-Base interactions energy: -1024.403 where: short stacking energy: -426.523 Base-Backbone interact. energy: 3.916 local terms energy: -496.129579 where: bonds (distance) C4'-P energy: -95.571 bonds (distance) P-C4' energy: -92.710 flat angles C4'-P-C4' energy: -109.612 flat angles P-C4'-P energy: -76.640 tors. eta vs tors. theta energy: -121.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1394.072398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.072398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.072398 (E_RNA) where: Base-Base interactions energy: -984.936 where: short stacking energy: -400.588 Base-Backbone interact. energy: 0.559 local terms energy: -409.695436 where: bonds (distance) C4'-P energy: -56.021 bonds (distance) P-C4' energy: -92.428 flat angles C4'-P-C4' energy: -100.042 flat angles P-C4'-P energy: -57.948 tors. eta vs tors. theta energy: -103.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1205.262742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.262742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.262742 (E_RNA) where: Base-Base interactions energy: -794.247 where: short stacking energy: -344.878 Base-Backbone interact. energy: 3.150 local terms energy: -414.166409 where: bonds (distance) C4'-P energy: -76.931 bonds (distance) P-C4' energy: -109.436 flat angles C4'-P-C4' energy: -105.592 flat angles P-C4'-P energy: -44.247 tors. eta vs tors. theta energy: -77.961 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: 139 Temperature: 1.300000 Total energy: -931.583639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.583639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.583639 (E_RNA) where: Base-Base interactions energy: -571.410 where: short stacking energy: -294.041 Base-Backbone interact. energy: 3.560 local terms energy: -363.733196 where: bonds (distance) C4'-P energy: -70.830 bonds (distance) P-C4' energy: -89.509 flat angles C4'-P-C4' energy: -93.707 flat angles P-C4'-P energy: -48.075 tors. eta vs tors. theta energy: -61.613 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: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -597.656969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.656969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.656969 (E_RNA) where: Base-Base interactions energy: -289.013 where: short stacking energy: -168.694 Base-Backbone interact. energy: 1.084 local terms energy: -309.727969 where: bonds (distance) C4'-P energy: -86.232 bonds (distance) P-C4' energy: -109.936 flat angles C4'-P-C4' energy: -69.753 flat angles P-C4'-P energy: -34.372 tors. eta vs tors. theta energy: -9.436 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: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1879.769626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.769626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.769626 (E_RNA) where: Base-Base interactions energy: -1299.549 where: short stacking energy: -557.136 Base-Backbone interact. energy: -1.760 local terms energy: -578.460945 where: bonds (distance) C4'-P energy: -107.329 bonds (distance) P-C4' energy: -111.448 flat angles C4'-P-C4' energy: -127.206 flat angles P-C4'-P energy: -84.271 tors. eta vs tors. theta energy: -148.206 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: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1827.946209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.946209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.946209 (E_RNA) where: Base-Base interactions energy: -1266.145 where: short stacking energy: -519.887 Base-Backbone interact. energy: -0.001 local terms energy: -561.800534 where: bonds (distance) C4'-P energy: -98.396 bonds (distance) P-C4' energy: -103.286 flat angles C4'-P-C4' energy: -120.784 flat angles P-C4'-P energy: -76.024 tors. eta vs tors. theta energy: -163.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1753.008094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.008094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.008094 (E_RNA) where: Base-Base interactions energy: -1223.373 where: short stacking energy: -480.893 Base-Backbone interact. energy: -3.623 local terms energy: -526.012912 where: bonds (distance) C4'-P energy: -102.754 bonds (distance) P-C4' energy: -107.605 flat angles C4'-P-C4' energy: -114.647 flat angles P-C4'-P energy: -67.216 tors. eta vs tors. theta energy: -133.789 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: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1666.862338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.862338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.862338 (E_RNA) where: Base-Base interactions energy: -1149.196 where: short stacking energy: -486.993 Base-Backbone interact. energy: -3.308 local terms energy: -514.358060 where: bonds (distance) C4'-P energy: -104.025 bonds (distance) P-C4' energy: -94.582 flat angles C4'-P-C4' energy: -107.981 flat angles P-C4'-P energy: -74.659 tors. eta vs tors. theta energy: -133.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1553.903277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.903277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.903277 (E_RNA) where: Base-Base interactions energy: -1060.054 where: short stacking energy: -447.893 Base-Backbone interact. energy: -2.419 local terms energy: -491.430277 where: bonds (distance) C4'-P energy: -91.092 bonds (distance) P-C4' energy: -101.389 flat angles C4'-P-C4' energy: -97.395 flat angles P-C4'-P energy: -74.346 tors. eta vs tors. theta energy: -127.207 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: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1509.778308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.778308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.778308 (E_RNA) where: Base-Base interactions energy: -1038.087 where: short stacking energy: -423.714 Base-Backbone interact. energy: -2.041 local terms energy: -469.650291 where: bonds (distance) C4'-P energy: -79.523 bonds (distance) P-C4' energy: -92.153 flat angles C4'-P-C4' energy: -106.952 flat angles P-C4'-P energy: -78.269 tors. eta vs tors. theta energy: -112.753 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: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1355.973876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.973876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.973876 (E_RNA) where: Base-Base interactions energy: -912.077 where: short stacking energy: -387.723 Base-Backbone interact. energy: -2.852 local terms energy: -441.044500 where: bonds (distance) C4'-P energy: -76.302 bonds (distance) P-C4' energy: -97.037 flat angles C4'-P-C4' energy: -101.639 flat angles P-C4'-P energy: -69.749 tors. eta vs tors. theta energy: -96.317 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: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1267.643729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.643729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.643729 (E_RNA) where: Base-Base interactions energy: -857.293 where: short stacking energy: -382.373 Base-Backbone interact. energy: 1.340 local terms energy: -411.690467 where: bonds (distance) C4'-P energy: -81.128 bonds (distance) P-C4' energy: -91.330 flat angles C4'-P-C4' energy: -96.581 flat angles P-C4'-P energy: -57.147 tors. eta vs tors. theta energy: -85.504 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: 9, replica: 9 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -838.330790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.330790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.330790 (E_RNA) where: Base-Base interactions energy: -499.712 where: short stacking energy: -223.803 Base-Backbone interact. energy: 1.838 local terms energy: -340.456786 where: bonds (distance) C4'-P energy: -102.531 bonds (distance) P-C4' energy: -91.516 flat angles C4'-P-C4' energy: -75.514 flat angles P-C4'-P energy: -58.668 tors. eta vs tors. theta energy: -12.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -582.008026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.008026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.008026 (E_RNA) where: Base-Base interactions energy: -281.409 where: short stacking energy: -155.255 Base-Backbone interact. energy: -1.971 local terms energy: -298.628105 where: bonds (distance) C4'-P energy: -97.258 bonds (distance) P-C4' energy: -108.269 flat angles C4'-P-C4' energy: -53.603 flat angles P-C4'-P energy: -44.448 tors. eta vs tors. theta energy: 4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1888.885011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.885011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.885011 (E_RNA) where: Base-Base interactions energy: -1293.810 where: short stacking energy: -567.004 Base-Backbone interact. energy: -1.178 local terms energy: -593.897258 where: bonds (distance) C4'-P energy: -99.828 bonds (distance) P-C4' energy: -119.433 flat angles C4'-P-C4' energy: -122.320 flat angles P-C4'-P energy: -81.371 tors. eta vs tors. theta energy: -170.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1830.149507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.149507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.149507 (E_RNA) where: Base-Base interactions energy: -1252.427 where: short stacking energy: -524.175 Base-Backbone interact. energy: -4.235 local terms energy: -573.487352 where: bonds (distance) C4'-P energy: -117.157 bonds (distance) P-C4' energy: -106.481 flat angles C4'-P-C4' energy: -122.949 flat angles P-C4'-P energy: -74.135 tors. eta vs tors. theta energy: -152.766 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: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1735.435710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.435710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.435710 (E_RNA) where: Base-Base interactions energy: -1198.704 where: short stacking energy: -511.899 Base-Backbone interact. energy: -3.202 local terms energy: -533.529617 where: bonds (distance) C4'-P energy: -100.031 bonds (distance) P-C4' energy: -99.377 flat angles C4'-P-C4' energy: -105.554 flat angles P-C4'-P energy: -71.540 tors. eta vs tors. theta energy: -157.027 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: 4, replica: 5 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1671.566303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.566303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.566303 (E_RNA) where: Base-Base interactions energy: -1124.696 where: short stacking energy: -503.378 Base-Backbone interact. energy: -1.824 local terms energy: -545.046480 where: bonds (distance) C4'-P energy: -103.509 bonds (distance) P-C4' energy: -93.265 flat angles C4'-P-C4' energy: -123.945 flat angles P-C4'-P energy: -74.597 tors. eta vs tors. theta energy: -149.730 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: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1554.302182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.302182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.302182 (E_RNA) where: Base-Base interactions energy: -1047.666 where: short stacking energy: -470.021 Base-Backbone interact. energy: 0.321 local terms energy: -506.957070 where: bonds (distance) C4'-P energy: -90.065 bonds (distance) P-C4' energy: -100.336 flat angles C4'-P-C4' energy: -116.872 flat angles P-C4'-P energy: -72.064 tors. eta vs tors. theta energy: -127.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1506.949469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.949469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.949469 (E_RNA) where: Base-Base interactions energy: -1023.084 where: short stacking energy: -419.206 Base-Backbone interact. energy: -2.591 local terms energy: -481.274284 where: bonds (distance) C4'-P energy: -84.156 bonds (distance) P-C4' energy: -101.165 flat angles C4'-P-C4' energy: -108.570 flat angles P-C4'-P energy: -71.460 tors. eta vs tors. theta energy: -115.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1376.990188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.990188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.990188 (E_RNA) where: Base-Base interactions energy: -946.090 where: short stacking energy: -383.532 Base-Backbone interact. energy: 0.604 local terms energy: -431.504548 where: bonds (distance) C4'-P energy: -79.952 bonds (distance) P-C4' energy: -91.718 flat angles C4'-P-C4' energy: -100.779 flat angles P-C4'-P energy: -61.363 tors. eta vs tors. theta energy: -97.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1256.657819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.657819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.657819 (E_RNA) where: Base-Base interactions energy: -835.527 where: short stacking energy: -335.939 Base-Backbone interact. energy: -0.424 local terms energy: -420.706625 where: bonds (distance) C4'-P energy: -95.436 bonds (distance) P-C4' energy: -87.882 flat angles C4'-P-C4' energy: -107.654 flat angles P-C4'-P energy: -60.932 tors. eta vs tors. theta energy: -68.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -865.081003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.081003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.081003 (E_RNA) where: Base-Base interactions energy: -511.987 where: short stacking energy: -272.448 Base-Backbone interact. energy: 1.115 local terms energy: -354.208870 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -84.005 flat angles C4'-P-C4' energy: -67.536 flat angles P-C4'-P energy: -58.523 tors. eta vs tors. theta energy: -49.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -589.678910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.678910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.678910 (E_RNA) where: Base-Base interactions energy: -319.593 where: short stacking energy: -167.954 Base-Backbone interact. energy: 8.795 local terms energy: -278.881151 where: bonds (distance) C4'-P energy: -88.647 bonds (distance) P-C4' energy: -84.780 flat angles C4'-P-C4' energy: -72.477 flat angles P-C4'-P energy: -35.350 tors. eta vs tors. theta energy: 2.374 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: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1911.816978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.816978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.816978 (E_RNA) where: Base-Base interactions energy: -1304.600 where: short stacking energy: -583.111 Base-Backbone interact. energy: 0.234 local terms energy: -607.450884 where: bonds (distance) C4'-P energy: -105.427 bonds (distance) P-C4' energy: -120.805 flat angles C4'-P-C4' energy: -125.807 flat angles P-C4'-P energy: -83.311 tors. eta vs tors. theta energy: -172.101 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: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1828.947399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.947399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.947399 (E_RNA) where: Base-Base interactions energy: -1241.174 where: short stacking energy: -528.832 Base-Backbone interact. energy: -0.429 local terms energy: -587.344670 where: bonds (distance) C4'-P energy: -120.665 bonds (distance) P-C4' energy: -116.376 flat angles C4'-P-C4' energy: -117.413 flat angles P-C4'-P energy: -81.944 tors. eta vs tors. theta energy: -150.947 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: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1768.281328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.281328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.281328 (E_RNA) where: Base-Base interactions energy: -1206.556 where: short stacking energy: -496.448 Base-Backbone interact. energy: -3.246 local terms energy: -558.479973 where: bonds (distance) C4'-P energy: -109.947 bonds (distance) P-C4' energy: -98.331 flat angles C4'-P-C4' energy: -118.733 flat angles P-C4'-P energy: -80.949 tors. eta vs tors. theta energy: -150.519 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: 5 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1670.498489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.498489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.498489 (E_RNA) where: Base-Base interactions energy: -1148.524 where: short stacking energy: -499.527 Base-Backbone interact. energy: -0.942 local terms energy: -521.032217 where: bonds (distance) C4'-P energy: -97.433 bonds (distance) P-C4' energy: -99.247 flat angles C4'-P-C4' energy: -105.485 flat angles P-C4'-P energy: -78.172 tors. eta vs tors. theta energy: -140.696 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: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1541.035776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.035776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.035776 (E_RNA) where: Base-Base interactions energy: -1035.700 where: short stacking energy: -424.550 Base-Backbone interact. energy: -3.516 local terms energy: -501.819219 where: bonds (distance) C4'-P energy: -108.547 bonds (distance) P-C4' energy: -94.774 flat angles C4'-P-C4' energy: -111.154 flat angles P-C4'-P energy: -70.348 tors. eta vs tors. theta energy: -116.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1510.127143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.127143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.127143 (E_RNA) where: Base-Base interactions energy: -1051.076 where: short stacking energy: -438.325 Base-Backbone interact. energy: 1.630 local terms energy: -460.681467 where: bonds (distance) C4'-P energy: -83.065 bonds (distance) P-C4' energy: -96.950 flat angles C4'-P-C4' energy: -95.383 flat angles P-C4'-P energy: -71.007 tors. eta vs tors. theta energy: -114.277 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: 7, replica: 6 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1403.816670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.816670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.816670 (E_RNA) where: Base-Base interactions energy: -938.884 where: short stacking energy: -395.084 Base-Backbone interact. energy: -2.033 local terms energy: -462.899371 where: bonds (distance) C4'-P energy: -91.174 bonds (distance) P-C4' energy: -91.511 flat angles C4'-P-C4' energy: -103.918 flat angles P-C4'-P energy: -75.441 tors. eta vs tors. theta energy: -100.856 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: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1279.011269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.011269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.011269 (E_RNA) where: Base-Base interactions energy: -841.881 where: short stacking energy: -374.557 Base-Backbone interact. energy: 0.884 local terms energy: -438.014164 where: bonds (distance) C4'-P energy: -95.608 bonds (distance) P-C4' energy: -90.402 flat angles C4'-P-C4' energy: -94.126 flat angles P-C4'-P energy: -64.828 tors. eta vs tors. theta energy: -93.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -859.761409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.761409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.761409 (E_RNA) where: Base-Base interactions energy: -510.502 where: short stacking energy: -241.048 Base-Backbone interact. energy: -1.786 local terms energy: -347.474045 where: bonds (distance) C4'-P energy: -82.768 bonds (distance) P-C4' energy: -79.177 flat angles C4'-P-C4' energy: -91.749 flat angles P-C4'-P energy: -61.153 tors. eta vs tors. theta energy: -32.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -576.794592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.794592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.794592 (E_RNA) where: Base-Base interactions energy: -280.794 where: short stacking energy: -169.907 Base-Backbone interact. energy: 2.369 local terms energy: -298.368931 where: bonds (distance) C4'-P energy: -80.400 bonds (distance) P-C4' energy: -104.931 flat angles C4'-P-C4' energy: -61.910 flat angles P-C4'-P energy: -49.316 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1915.331111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.331111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.331111 (E_RNA) where: Base-Base interactions energy: -1332.285 where: short stacking energy: -566.759 Base-Backbone interact. energy: -4.055 local terms energy: -578.991096 where: bonds (distance) C4'-P energy: -98.871 bonds (distance) P-C4' energy: -112.090 flat angles C4'-P-C4' energy: -124.445 flat angles P-C4'-P energy: -80.771 tors. eta vs tors. theta energy: -162.814 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: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1821.060453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.060453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.060453 (E_RNA) where: Base-Base interactions energy: -1266.695 where: short stacking energy: -533.096 Base-Backbone interact. energy: -2.685 local terms energy: -551.681043 where: bonds (distance) C4'-P energy: -96.784 bonds (distance) P-C4' energy: -115.561 flat angles C4'-P-C4' energy: -114.661 flat angles P-C4'-P energy: -67.077 tors. eta vs tors. theta energy: -157.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1764.755318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.755318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.755318 (E_RNA) where: Base-Base interactions energy: -1210.894 where: short stacking energy: -478.072 Base-Backbone interact. energy: -2.383 local terms energy: -551.478852 where: bonds (distance) C4'-P energy: -114.508 bonds (distance) P-C4' energy: -101.026 flat angles C4'-P-C4' energy: -122.627 flat angles P-C4'-P energy: -76.033 tors. eta vs tors. theta energy: -137.286 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: 5 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1629.958058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.958058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.958058 (E_RNA) where: Base-Base interactions energy: -1119.135 where: short stacking energy: -475.526 Base-Backbone interact. energy: 0.472 local terms energy: -511.295673 where: bonds (distance) C4'-P energy: -89.546 bonds (distance) P-C4' energy: -97.412 flat angles C4'-P-C4' energy: -116.269 flat angles P-C4'-P energy: -74.807 tors. eta vs tors. theta energy: -133.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1545.071997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.071997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.071997 (E_RNA) where: Base-Base interactions energy: -1053.435 where: short stacking energy: -433.642 Base-Backbone interact. energy: -1.428 local terms energy: -490.208693 where: bonds (distance) C4'-P energy: -98.859 bonds (distance) P-C4' energy: -100.644 flat angles C4'-P-C4' energy: -90.964 flat angles P-C4'-P energy: -76.363 tors. eta vs tors. theta energy: -123.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1502.183674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.183674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.183674 (E_RNA) where: Base-Base interactions energy: -1044.507 where: short stacking energy: -422.927 Base-Backbone interact. energy: 5.968 local terms energy: -463.644354 where: bonds (distance) C4'-P energy: -104.665 bonds (distance) P-C4' energy: -94.881 flat angles C4'-P-C4' energy: -95.636 flat angles P-C4'-P energy: -60.466 tors. eta vs tors. theta energy: -107.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1380.949055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.949055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.949055 (E_RNA) where: Base-Base interactions energy: -950.653 where: short stacking energy: -391.105 Base-Backbone interact. energy: -1.120 local terms energy: -429.176298 where: bonds (distance) C4'-P energy: -89.882 bonds (distance) P-C4' energy: -80.142 flat angles C4'-P-C4' energy: -102.542 flat angles P-C4'-P energy: -63.387 tors. eta vs tors. theta energy: -93.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1266.151845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.151845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.151845 (E_RNA) where: Base-Base interactions energy: -811.516 where: short stacking energy: -338.825 Base-Backbone interact. energy: -2.031 local terms energy: -452.605389 where: bonds (distance) C4'-P energy: -86.025 bonds (distance) P-C4' energy: -104.793 flat angles C4'-P-C4' energy: -100.523 flat angles P-C4'-P energy: -72.189 tors. eta vs tors. theta energy: -89.075 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: 9 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -880.951106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.951106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.951106 (E_RNA) where: Base-Base interactions energy: -524.548 where: short stacking energy: -253.839 Base-Backbone interact. energy: 0.085 local terms energy: -356.487203 where: bonds (distance) C4'-P energy: -79.529 bonds (distance) P-C4' energy: -90.178 flat angles C4'-P-C4' energy: -90.811 flat angles P-C4'-P energy: -63.387 tors. eta vs tors. theta energy: -32.583 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: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -570.272851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.272851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.272851 (E_RNA) where: Base-Base interactions energy: -282.587 where: short stacking energy: -153.101 Base-Backbone interact. energy: -0.917 local terms energy: -286.768680 where: bonds (distance) C4'-P energy: -88.187 bonds (distance) P-C4' energy: -97.932 flat angles C4'-P-C4' energy: -61.386 flat angles P-C4'-P energy: -41.607 tors. eta vs tors. theta energy: 2.344 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: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1891.516448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.516448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.516448 (E_RNA) where: Base-Base interactions energy: -1299.571 where: short stacking energy: -559.968 Base-Backbone interact. energy: -1.723 local terms energy: -590.222673 where: bonds (distance) C4'-P energy: -108.204 bonds (distance) P-C4' energy: -91.556 flat angles C4'-P-C4' energy: -127.305 flat angles P-C4'-P energy: -94.044 tors. eta vs tors. theta energy: -169.113 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: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1841.574554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.574554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.574554 (E_RNA) where: Base-Base interactions energy: -1281.208 where: short stacking energy: -518.310 Base-Backbone interact. energy: -3.536 local terms energy: -556.830551 where: bonds (distance) C4'-P energy: -107.953 bonds (distance) P-C4' energy: -107.176 flat angles C4'-P-C4' energy: -105.061 flat angles P-C4'-P energy: -76.396 tors. eta vs tors. theta energy: -160.246 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: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1756.100052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.100052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.100052 (E_RNA) where: Base-Base interactions energy: -1223.256 where: short stacking energy: -494.899 Base-Backbone interact. energy: 3.197 local terms energy: -536.040930 where: bonds (distance) C4'-P energy: -101.025 bonds (distance) P-C4' energy: -99.314 flat angles C4'-P-C4' energy: -117.485 flat angles P-C4'-P energy: -78.857 tors. eta vs tors. theta energy: -139.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1656.463030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.463030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.463030 (E_RNA) where: Base-Base interactions energy: -1137.160 where: short stacking energy: -483.531 Base-Backbone interact. energy: 2.138 local terms energy: -521.440615 where: bonds (distance) C4'-P energy: -86.110 bonds (distance) P-C4' energy: -106.810 flat angles C4'-P-C4' energy: -113.220 flat angles P-C4'-P energy: -76.438 tors. eta vs tors. theta energy: -138.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1536.327265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.327265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.327265 (E_RNA) where: Base-Base interactions energy: -1047.697 where: short stacking energy: -439.218 Base-Backbone interact. energy: -1.461 local terms energy: -487.168429 where: bonds (distance) C4'-P energy: -97.311 bonds (distance) P-C4' energy: -90.149 flat angles C4'-P-C4' energy: -109.339 flat angles P-C4'-P energy: -67.241 tors. eta vs tors. theta energy: -123.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1500.079181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.079181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.079181 (E_RNA) where: Base-Base interactions energy: -1051.523 where: short stacking energy: -398.125 Base-Backbone interact. energy: 3.549 local terms energy: -452.105156 where: bonds (distance) C4'-P energy: -83.215 bonds (distance) P-C4' energy: -92.314 flat angles C4'-P-C4' energy: -106.173 flat angles P-C4'-P energy: -72.995 tors. eta vs tors. theta energy: -97.408 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: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1389.082622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.082622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.082622 (E_RNA) where: Base-Base interactions energy: -947.855 where: short stacking energy: -383.679 Base-Backbone interact. energy: -2.422 local terms energy: -438.805781 where: bonds (distance) C4'-P energy: -76.249 bonds (distance) P-C4' energy: -85.490 flat angles C4'-P-C4' energy: -109.130 flat angles P-C4'-P energy: -76.382 tors. eta vs tors. theta energy: -91.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1252.672925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.672925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.672925 (E_RNA) where: Base-Base interactions energy: -836.465 where: short stacking energy: -352.410 Base-Backbone interact. energy: 2.928 local terms energy: -419.136099 where: bonds (distance) C4'-P energy: -92.529 bonds (distance) P-C4' energy: -95.405 flat angles C4'-P-C4' energy: -95.083 flat angles P-C4'-P energy: -55.293 tors. eta vs tors. theta energy: -80.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -877.702528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.702528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.702528 (E_RNA) where: Base-Base interactions energy: -515.657 where: short stacking energy: -257.764 Base-Backbone interact. energy: -1.854 local terms energy: -360.191310 where: bonds (distance) C4'-P energy: -97.588 bonds (distance) P-C4' energy: -100.563 flat angles C4'-P-C4' energy: -78.925 flat angles P-C4'-P energy: -53.714 tors. eta vs tors. theta energy: -29.401 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: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -610.516701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.516701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.516701 (E_RNA) where: Base-Base interactions energy: -303.178 where: short stacking energy: -177.431 Base-Backbone interact. energy: -2.044 local terms energy: -305.294603 where: bonds (distance) C4'-P energy: -91.125 bonds (distance) P-C4' energy: -104.161 flat angles C4'-P-C4' energy: -72.858 flat angles P-C4'-P energy: -38.052 tors. eta vs tors. theta energy: 0.902 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: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1901.079193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.079193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.079193 (E_RNA) where: Base-Base interactions energy: -1298.364 where: short stacking energy: -567.554 Base-Backbone interact. energy: 0.342 local terms energy: -603.056831 where: bonds (distance) C4'-P energy: -106.035 bonds (distance) P-C4' energy: -109.442 flat angles C4'-P-C4' energy: -118.421 flat angles P-C4'-P energy: -93.906 tors. eta vs tors. theta energy: -175.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1811.271868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.271868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.271868 (E_RNA) where: Base-Base interactions energy: -1225.542 where: short stacking energy: -528.790 Base-Backbone interact. energy: -3.855 local terms energy: -581.875247 where: bonds (distance) C4'-P energy: -104.681 bonds (distance) P-C4' energy: -103.928 flat angles C4'-P-C4' energy: -125.975 flat angles P-C4'-P energy: -84.563 tors. eta vs tors. theta energy: -162.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1767.200779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.200779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.200779 (E_RNA) where: Base-Base interactions energy: -1240.321 where: short stacking energy: -513.199 Base-Backbone interact. energy: 0.963 local terms energy: -527.842594 where: bonds (distance) C4'-P energy: -98.325 bonds (distance) P-C4' energy: -110.293 flat angles C4'-P-C4' energy: -110.089 flat angles P-C4'-P energy: -81.486 tors. eta vs tors. theta energy: -127.650 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: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1690.227048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.227048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.227048 (E_RNA) where: Base-Base interactions energy: -1160.306 where: short stacking energy: -490.135 Base-Backbone interact. energy: -3.115 local terms energy: -526.806039 where: bonds (distance) C4'-P energy: -92.530 bonds (distance) P-C4' energy: -106.899 flat angles C4'-P-C4' energy: -110.662 flat angles P-C4'-P energy: -72.984 tors. eta vs tors. theta energy: -143.731 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: 5, replica: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1608.656202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.656202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.656202 (E_RNA) where: Base-Base interactions energy: -1094.435 where: short stacking energy: -463.685 Base-Backbone interact. energy: -3.609 local terms energy: -510.612294 where: bonds (distance) C4'-P energy: -77.527 bonds (distance) P-C4' energy: -115.146 flat angles C4'-P-C4' energy: -105.645 flat angles P-C4'-P energy: -85.452 tors. eta vs tors. theta energy: -126.843 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: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1505.047119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.047119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.047119 (E_RNA) where: Base-Base interactions energy: -1039.353 where: short stacking energy: -429.898 Base-Backbone interact. energy: -1.205 local terms energy: -464.489222 where: bonds (distance) C4'-P energy: -94.582 bonds (distance) P-C4' energy: -95.126 flat angles C4'-P-C4' energy: -88.888 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -115.474 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: 145 Temperature: 1.200000 Total energy: -1401.640901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.640901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.640901 (E_RNA) where: Base-Base interactions energy: -951.123 where: short stacking energy: -404.707 Base-Backbone interact. energy: -3.196 local terms energy: -447.322411 where: bonds (distance) C4'-P energy: -88.048 bonds (distance) P-C4' energy: -93.462 flat angles C4'-P-C4' energy: -94.433 flat angles P-C4'-P energy: -69.795 tors. eta vs tors. theta energy: -101.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1285.763409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.763409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.763409 (E_RNA) where: Base-Base interactions energy: -845.567 where: short stacking energy: -373.475 Base-Backbone interact. energy: -0.589 local terms energy: -439.607193 where: bonds (distance) C4'-P energy: -96.927 bonds (distance) P-C4' energy: -97.281 flat angles C4'-P-C4' energy: -93.895 flat angles P-C4'-P energy: -65.027 tors. eta vs tors. theta energy: -86.476 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: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -922.280283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.280283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.280283 (E_RNA) where: Base-Base interactions energy: -567.080 where: short stacking energy: -253.467 Base-Backbone interact. energy: 1.160 local terms energy: -356.360243 where: bonds (distance) C4'-P energy: -88.806 bonds (distance) P-C4' energy: -96.638 flat angles C4'-P-C4' energy: -84.518 flat angles P-C4'-P energy: -50.952 tors. eta vs tors. theta energy: -35.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -615.563909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.563909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.563909 (E_RNA) where: Base-Base interactions energy: -302.097 where: short stacking energy: -149.846 Base-Backbone interact. energy: 9.233 local terms energy: -322.699700 where: bonds (distance) C4'-P energy: -105.350 bonds (distance) P-C4' energy: -95.780 flat angles C4'-P-C4' energy: -84.795 flat angles P-C4'-P energy: -38.493 tors. eta vs tors. theta energy: 1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1874.171788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.171788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.171788 (E_RNA) where: Base-Base interactions energy: -1269.306 where: short stacking energy: -562.344 Base-Backbone interact. energy: 2.810 local terms energy: -607.675612 where: bonds (distance) C4'-P energy: -106.544 bonds (distance) P-C4' energy: -108.415 flat angles C4'-P-C4' energy: -129.775 flat angles P-C4'-P energy: -86.382 tors. eta vs tors. theta energy: -176.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1794.075915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.075915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.075915 (E_RNA) where: Base-Base interactions energy: -1222.530 where: short stacking energy: -505.522 Base-Backbone interact. energy: -3.580 local terms energy: -567.966285 where: bonds (distance) C4'-P energy: -109.565 bonds (distance) P-C4' energy: -114.068 flat angles C4'-P-C4' energy: -121.129 flat angles P-C4'-P energy: -74.833 tors. eta vs tors. theta energy: -148.372 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: 1 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1779.152639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.152639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.152639 (E_RNA) where: Base-Base interactions energy: -1244.103 where: short stacking energy: -500.915 Base-Backbone interact. energy: -0.829 local terms energy: -534.220737 where: bonds (distance) C4'-P energy: -105.771 bonds (distance) P-C4' energy: -102.628 flat angles C4'-P-C4' energy: -111.462 flat angles P-C4'-P energy: -75.318 tors. eta vs tors. theta energy: -139.042 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: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1637.843837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.843837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.843837 (E_RNA) where: Base-Base interactions energy: -1148.188 where: short stacking energy: -486.923 Base-Backbone interact. energy: -3.878 local terms energy: -485.777775 where: bonds (distance) C4'-P energy: -105.319 bonds (distance) P-C4' energy: -82.500 flat angles C4'-P-C4' energy: -103.019 flat angles P-C4'-P energy: -68.260 tors. eta vs tors. theta energy: -126.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1623.994024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.994024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.994024 (E_RNA) where: Base-Base interactions energy: -1120.193 where: short stacking energy: -470.237 Base-Backbone interact. energy: 1.698 local terms energy: -505.498167 where: bonds (distance) C4'-P energy: -97.373 bonds (distance) P-C4' energy: -93.071 flat angles C4'-P-C4' energy: -115.263 flat angles P-C4'-P energy: -68.504 tors. eta vs tors. theta energy: -131.288 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: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1518.450292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.450292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.450292 (E_RNA) where: Base-Base interactions energy: -1023.208 where: short stacking energy: -447.766 Base-Backbone interact. energy: 1.196 local terms energy: -496.438084 where: bonds (distance) C4'-P energy: -105.983 bonds (distance) P-C4' energy: -88.058 flat angles C4'-P-C4' energy: -110.311 flat angles P-C4'-P energy: -75.990 tors. eta vs tors. theta energy: -116.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1398.250112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.250112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.250112 (E_RNA) where: Base-Base interactions energy: -930.640 where: short stacking energy: -381.487 Base-Backbone interact. energy: 0.301 local terms energy: -467.911734 where: bonds (distance) C4'-P energy: -101.969 bonds (distance) P-C4' energy: -106.690 flat angles C4'-P-C4' energy: -103.336 flat angles P-C4'-P energy: -69.981 tors. eta vs tors. theta energy: -85.936 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: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1224.393591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.393591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.393591 (E_RNA) where: Base-Base interactions energy: -826.501 where: short stacking energy: -359.024 Base-Backbone interact. energy: 0.488 local terms energy: -398.380076 where: bonds (distance) C4'-P energy: -84.176 bonds (distance) P-C4' energy: -106.092 flat angles C4'-P-C4' energy: -82.380 flat angles P-C4'-P energy: -51.039 tors. eta vs tors. theta energy: -74.694 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: 9 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -926.420792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.420792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.420792 (E_RNA) where: Base-Base interactions energy: -586.582 where: short stacking energy: -280.915 Base-Backbone interact. energy: 1.516 local terms energy: -341.354487 where: bonds (distance) C4'-P energy: -96.797 bonds (distance) P-C4' energy: -79.656 flat angles C4'-P-C4' energy: -84.211 flat angles P-C4'-P energy: -39.739 tors. eta vs tors. theta energy: -40.952 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: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -596.146020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.146020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.146020 (E_RNA) where: Base-Base interactions energy: -292.765 where: short stacking energy: -167.371 Base-Backbone interact. energy: 0.670 local terms energy: -304.051070 where: bonds (distance) C4'-P energy: -89.267 bonds (distance) P-C4' energy: -84.911 flat angles C4'-P-C4' energy: -87.979 flat angles P-C4'-P energy: -42.381 tors. eta vs tors. theta energy: 0.488 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: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1888.500635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.500635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.500635 (E_RNA) where: Base-Base interactions energy: -1281.802 where: short stacking energy: -590.687 Base-Backbone interact. energy: -3.229 local terms energy: -603.469697 where: bonds (distance) C4'-P energy: -116.600 bonds (distance) P-C4' energy: -109.844 flat angles C4'-P-C4' energy: -126.019 flat angles P-C4'-P energy: -75.588 tors. eta vs tors. theta energy: -175.418 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: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1798.989206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.989206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.989206 (E_RNA) where: Base-Base interactions energy: -1251.376 where: short stacking energy: -505.419 Base-Backbone interact. energy: -3.927 local terms energy: -543.686400 where: bonds (distance) C4'-P energy: -107.776 bonds (distance) P-C4' energy: -99.618 flat angles C4'-P-C4' energy: -113.506 flat angles P-C4'-P energy: -78.118 tors. eta vs tors. theta energy: -144.667 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: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1773.749254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.749254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.749254 (E_RNA) where: Base-Base interactions energy: -1230.619 where: short stacking energy: -508.460 Base-Backbone interact. energy: -3.306 local terms energy: -539.824514 where: bonds (distance) C4'-P energy: -89.963 bonds (distance) P-C4' energy: -106.339 flat angles C4'-P-C4' energy: -112.853 flat angles P-C4'-P energy: -81.782 tors. eta vs tors. theta energy: -148.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1658.079833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.079833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.079833 (E_RNA) where: Base-Base interactions energy: -1120.285 where: short stacking energy: -479.848 Base-Backbone interact. energy: -2.512 local terms energy: -535.282931 where: bonds (distance) C4'-P energy: -101.000 bonds (distance) P-C4' energy: -104.761 flat angles C4'-P-C4' energy: -123.151 flat angles P-C4'-P energy: -73.759 tors. eta vs tors. theta energy: -132.611 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: 5, replica: 2 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1578.731746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.731746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.731746 (E_RNA) where: Base-Base interactions energy: -1087.977 where: short stacking energy: -429.286 Base-Backbone interact. energy: -3.281 local terms energy: -487.473722 where: bonds (distance) C4'-P energy: -90.094 bonds (distance) P-C4' energy: -88.261 flat angles C4'-P-C4' energy: -110.239 flat angles P-C4'-P energy: -78.514 tors. eta vs tors. theta energy: -120.365 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: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1502.843968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.843968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.843968 (E_RNA) where: Base-Base interactions energy: -1002.143 where: short stacking energy: -420.660 Base-Backbone interact. energy: -3.735 local terms energy: -496.966255 where: bonds (distance) C4'-P energy: -107.033 bonds (distance) P-C4' energy: -102.027 flat angles C4'-P-C4' energy: -108.305 flat angles P-C4'-P energy: -71.167 tors. eta vs tors. theta energy: -108.434 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: 6 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1359.066586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.066586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.066586 (E_RNA) where: Base-Base interactions energy: -909.498 where: short stacking energy: -380.099 Base-Backbone interact. energy: -2.242 local terms energy: -447.326245 where: bonds (distance) C4'-P energy: -79.093 bonds (distance) P-C4' energy: -103.687 flat angles C4'-P-C4' energy: -105.677 flat angles P-C4'-P energy: -60.213 tors. eta vs tors. theta energy: -98.656 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: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1249.835011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.835011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.835011 (E_RNA) where: Base-Base interactions energy: -813.399 where: short stacking energy: -336.422 Base-Backbone interact. energy: 1.158 local terms energy: -437.593679 where: bonds (distance) C4'-P energy: -105.638 bonds (distance) P-C4' energy: -91.780 flat angles C4'-P-C4' energy: -94.394 flat angles P-C4'-P energy: -70.674 tors. eta vs tors. theta energy: -75.108 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: 147 Temperature: 1.300000 Total energy: -853.584797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.584797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.584797 (E_RNA) where: Base-Base interactions energy: -542.098 where: short stacking energy: -212.111 Base-Backbone interact. energy: -0.909 local terms energy: -310.577762 where: bonds (distance) C4'-P energy: -86.839 bonds (distance) P-C4' energy: -80.213 flat angles C4'-P-C4' energy: -82.132 flat angles P-C4'-P energy: -57.376 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -603.935510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.935510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.935510 (E_RNA) where: Base-Base interactions energy: -287.045 where: short stacking energy: -154.109 Base-Backbone interact. energy: -0.450 local terms energy: -316.440754 where: bonds (distance) C4'-P energy: -95.756 bonds (distance) P-C4' energy: -104.671 flat angles C4'-P-C4' energy: -56.710 flat angles P-C4'-P energy: -60.304 tors. eta vs tors. theta energy: 1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1878.418605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.418605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.418605 (E_RNA) where: Base-Base interactions energy: -1281.413 where: short stacking energy: -561.162 Base-Backbone interact. energy: 0.499 local terms energy: -597.504022 where: bonds (distance) C4'-P energy: -116.095 bonds (distance) P-C4' energy: -116.261 flat angles C4'-P-C4' energy: -118.236 flat angles P-C4'-P energy: -80.075 tors. eta vs tors. theta energy: -166.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1788.910051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.910051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.910051 (E_RNA) where: Base-Base interactions energy: -1232.796 where: short stacking energy: -512.097 Base-Backbone interact. energy: -1.108 local terms energy: -555.005844 where: bonds (distance) C4'-P energy: -102.648 bonds (distance) P-C4' energy: -111.718 flat angles C4'-P-C4' energy: -110.223 flat angles P-C4'-P energy: -90.063 tors. eta vs tors. theta energy: -140.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1752.908451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.908451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.908451 (E_RNA) where: Base-Base interactions energy: -1188.537 where: short stacking energy: -486.417 Base-Backbone interact. energy: -6.342 local terms energy: -558.029326 where: bonds (distance) C4'-P energy: -108.884 bonds (distance) P-C4' energy: -110.777 flat angles C4'-P-C4' energy: -119.425 flat angles P-C4'-P energy: -80.075 tors. eta vs tors. theta energy: -138.869 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: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1620.841003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.841003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.841003 (E_RNA) where: Base-Base interactions energy: -1128.403 where: short stacking energy: -488.068 Base-Backbone interact. energy: -1.205 local terms energy: -491.233415 where: bonds (distance) C4'-P energy: -97.421 bonds (distance) P-C4' energy: -97.367 flat angles C4'-P-C4' energy: -111.004 flat angles P-C4'-P energy: -61.743 tors. eta vs tors. theta energy: -123.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1574.564197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.564197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.564197 (E_RNA) where: Base-Base interactions energy: -1056.425 where: short stacking energy: -453.197 Base-Backbone interact. energy: 3.270 local terms energy: -521.408914 where: bonds (distance) C4'-P energy: -88.166 bonds (distance) P-C4' energy: -105.746 flat angles C4'-P-C4' energy: -115.144 flat angles P-C4'-P energy: -77.764 tors. eta vs tors. theta energy: -134.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1560.141128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.141128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.141128 (E_RNA) where: Base-Base interactions energy: -1096.011 where: short stacking energy: -440.234 Base-Backbone interact. energy: -2.118 local terms energy: -462.011659 where: bonds (distance) C4'-P energy: -88.303 bonds (distance) P-C4' energy: -82.609 flat angles C4'-P-C4' energy: -98.432 flat angles P-C4'-P energy: -65.577 tors. eta vs tors. theta energy: -127.090 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: 148 Temperature: 1.200000 Total energy: -1344.976374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.976374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.976374 (E_RNA) where: Base-Base interactions energy: -874.930 where: short stacking energy: -368.520 Base-Backbone interact. energy: -0.612 local terms energy: -469.434158 where: bonds (distance) C4'-P energy: -94.269 bonds (distance) P-C4' energy: -95.978 flat angles C4'-P-C4' energy: -99.298 flat angles P-C4'-P energy: -73.296 tors. eta vs tors. theta energy: -106.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1292.950797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.950797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.950797 (E_RNA) where: Base-Base interactions energy: -865.996 where: short stacking energy: -376.155 Base-Backbone interact. energy: -1.990 local terms energy: -424.964716 where: bonds (distance) C4'-P energy: -87.491 bonds (distance) P-C4' energy: -100.403 flat angles C4'-P-C4' energy: -82.322 flat angles P-C4'-P energy: -65.392 tors. eta vs tors. theta energy: -89.356 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: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -830.511410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.511410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.511410 (E_RNA) where: Base-Base interactions energy: -494.406 where: short stacking energy: -226.354 Base-Backbone interact. energy: -1.805 local terms energy: -334.300642 where: bonds (distance) C4'-P energy: -89.616 bonds (distance) P-C4' energy: -100.226 flat angles C4'-P-C4' energy: -92.054 flat angles P-C4'-P energy: -37.301 tors. eta vs tors. theta energy: -15.104 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: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -581.389468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.389468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.389468 (E_RNA) where: Base-Base interactions energy: -298.774 where: short stacking energy: -157.694 Base-Backbone interact. energy: -2.861 local terms energy: -279.754677 where: bonds (distance) C4'-P energy: -90.553 bonds (distance) P-C4' energy: -81.688 flat angles C4'-P-C4' energy: -66.507 flat angles P-C4'-P energy: -43.853 tors. eta vs tors. theta energy: 2.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1908.634147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.634147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.634147 (E_RNA) where: Base-Base interactions energy: -1312.436 where: short stacking energy: -564.180 Base-Backbone interact. energy: -0.492 local terms energy: -595.706020 where: bonds (distance) C4'-P energy: -105.686 bonds (distance) P-C4' energy: -111.497 flat angles C4'-P-C4' energy: -120.500 flat angles P-C4'-P energy: -88.958 tors. eta vs tors. theta energy: -169.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1794.107257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.107257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.107257 (E_RNA) where: Base-Base interactions energy: -1246.685 where: short stacking energy: -519.014 Base-Backbone interact. energy: -3.557 local terms energy: -543.864889 where: bonds (distance) C4'-P energy: -115.422 bonds (distance) P-C4' energy: -105.532 flat angles C4'-P-C4' energy: -107.132 flat angles P-C4'-P energy: -76.986 tors. eta vs tors. theta energy: -138.793 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: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1717.735788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.735788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.735788 (E_RNA) where: Base-Base interactions energy: -1179.095 where: short stacking energy: -492.817 Base-Backbone interact. energy: -4.096 local terms energy: -534.544732 where: bonds (distance) C4'-P energy: -100.545 bonds (distance) P-C4' energy: -110.297 flat angles C4'-P-C4' energy: -118.095 flat angles P-C4'-P energy: -63.645 tors. eta vs tors. theta energy: -141.963 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: 2 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1615.550102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.550102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.550102 (E_RNA) where: Base-Base interactions energy: -1094.973 where: short stacking energy: -457.040 Base-Backbone interact. energy: -1.780 local terms energy: -518.797106 where: bonds (distance) C4'-P energy: -101.449 bonds (distance) P-C4' energy: -108.590 flat angles C4'-P-C4' energy: -111.545 flat angles P-C4'-P energy: -72.065 tors. eta vs tors. theta energy: -125.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1620.952291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.952291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.952291 (E_RNA) where: Base-Base interactions energy: -1125.511 where: short stacking energy: -467.498 Base-Backbone interact. energy: 1.600 local terms energy: -497.040739 where: bonds (distance) C4'-P energy: -102.569 bonds (distance) P-C4' energy: -94.286 flat angles C4'-P-C4' energy: -108.266 flat angles P-C4'-P energy: -61.649 tors. eta vs tors. theta energy: -130.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1479.704398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.704398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.704398 (E_RNA) where: Base-Base interactions energy: -1033.664 where: short stacking energy: -426.670 Base-Backbone interact. energy: -2.927 local terms energy: -443.113516 where: bonds (distance) C4'-P energy: -80.170 bonds (distance) P-C4' energy: -85.893 flat angles C4'-P-C4' energy: -110.981 flat angles P-C4'-P energy: -65.647 tors. eta vs tors. theta energy: -100.423 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: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1357.952264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.952264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.952264 (E_RNA) where: Base-Base interactions energy: -917.028 where: short stacking energy: -393.939 Base-Backbone interact. energy: 0.730 local terms energy: -441.653891 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -98.519 flat angles C4'-P-C4' energy: -97.162 flat angles P-C4'-P energy: -61.855 tors. eta vs tors. theta energy: -97.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1296.201866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.201866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.201866 (E_RNA) where: Base-Base interactions energy: -851.110 where: short stacking energy: -388.644 Base-Backbone interact. energy: -1.901 local terms energy: -443.190203 where: bonds (distance) C4'-P energy: -103.886 bonds (distance) P-C4' energy: -88.333 flat angles C4'-P-C4' energy: -91.885 flat angles P-C4'-P energy: -47.604 tors. eta vs tors. theta energy: -111.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -833.319242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.319242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.319242 (E_RNA) where: Base-Base interactions energy: -482.449 where: short stacking energy: -244.338 Base-Backbone interact. energy: -0.409 local terms energy: -350.461456 where: bonds (distance) C4'-P energy: -84.480 bonds (distance) P-C4' energy: -100.051 flat angles C4'-P-C4' energy: -80.633 flat angles P-C4'-P energy: -57.661 tors. eta vs tors. theta energy: -27.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -615.465524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.465524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.465524 (E_RNA) where: Base-Base interactions energy: -333.072 where: short stacking energy: -159.927 Base-Backbone interact. energy: -1.528 local terms energy: -280.865169 where: bonds (distance) C4'-P energy: -71.892 bonds (distance) P-C4' energy: -66.662 flat angles C4'-P-C4' energy: -86.491 flat angles P-C4'-P energy: -59.301 tors. eta vs tors. theta energy: 3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1903.195515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.195515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.195515 (E_RNA) where: Base-Base interactions energy: -1294.489 where: short stacking energy: -559.828 Base-Backbone interact. energy: -0.584 local terms energy: -608.123239 where: bonds (distance) C4'-P energy: -118.046 bonds (distance) P-C4' energy: -118.879 flat angles C4'-P-C4' energy: -122.436 flat angles P-C4'-P energy: -81.201 tors. eta vs tors. theta energy: -167.561 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: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1785.515556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.515556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.515556 (E_RNA) where: Base-Base interactions energy: -1216.211 where: short stacking energy: -514.383 Base-Backbone interact. energy: 1.379 local terms energy: -570.683962 where: bonds (distance) C4'-P energy: -102.985 bonds (distance) P-C4' energy: -108.665 flat angles C4'-P-C4' energy: -128.274 flat angles P-C4'-P energy: -90.195 tors. eta vs tors. theta energy: -140.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1722.172235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.172235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.172235 (E_RNA) where: Base-Base interactions energy: -1173.528 where: short stacking energy: -483.802 Base-Backbone interact. energy: -4.635 local terms energy: -544.009190 where: bonds (distance) C4'-P energy: -101.278 bonds (distance) P-C4' energy: -112.763 flat angles C4'-P-C4' energy: -116.059 flat angles P-C4'-P energy: -78.178 tors. eta vs tors. theta energy: -135.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1622.039286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.039286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.039286 (E_RNA) where: Base-Base interactions energy: -1108.909 where: short stacking energy: -479.454 Base-Backbone interact. energy: 1.759 local terms energy: -514.889014 where: bonds (distance) C4'-P energy: -108.815 bonds (distance) P-C4' energy: -99.408 flat angles C4'-P-C4' energy: -107.776 flat angles P-C4'-P energy: -70.540 tors. eta vs tors. theta energy: -128.350 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: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1667.356273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.356273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.356273 (E_RNA) where: Base-Base interactions energy: -1151.805 where: short stacking energy: -490.861 Base-Backbone interact. energy: 0.433 local terms energy: -515.984081 where: bonds (distance) C4'-P energy: -92.406 bonds (distance) P-C4' energy: -97.805 flat angles C4'-P-C4' energy: -108.441 flat angles P-C4'-P energy: -65.121 tors. eta vs tors. theta energy: -152.211 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: 6, replica: 4 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1480.218674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.218674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.218674 (E_RNA) where: Base-Base interactions energy: -1008.632 where: short stacking energy: -432.453 Base-Backbone interact. energy: -2.214 local terms energy: -469.372362 where: bonds (distance) C4'-P energy: -78.527 bonds (distance) P-C4' energy: -94.068 flat angles C4'-P-C4' energy: -121.094 flat angles P-C4'-P energy: -64.486 tors. eta vs tors. theta energy: -111.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1372.074800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.074800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.074800 (E_RNA) where: Base-Base interactions energy: -910.006 where: short stacking energy: -368.058 Base-Backbone interact. energy: -1.119 local terms energy: -460.950499 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -101.044 flat angles C4'-P-C4' energy: -104.472 flat angles P-C4'-P energy: -66.637 tors. eta vs tors. theta energy: -85.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1347.293407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.293407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.293407 (E_RNA) where: Base-Base interactions energy: -902.131 where: short stacking energy: -386.926 Base-Backbone interact. energy: 0.052 local terms energy: -445.214808 where: bonds (distance) C4'-P energy: -91.989 bonds (distance) P-C4' energy: -101.970 flat angles C4'-P-C4' energy: -101.875 flat angles P-C4'-P energy: -59.641 tors. eta vs tors. theta energy: -89.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -809.008573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.008573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.008573 (E_RNA) where: Base-Base interactions energy: -480.014 where: short stacking energy: -222.103 Base-Backbone interact. energy: -1.286 local terms energy: -327.708126 where: bonds (distance) C4'-P energy: -74.811 bonds (distance) P-C4' energy: -90.775 flat angles C4'-P-C4' energy: -84.640 flat angles P-C4'-P energy: -51.130 tors. eta vs tors. theta energy: -26.352 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: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -661.269936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.269936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.269936 (E_RNA) where: Base-Base interactions energy: -348.550 where: short stacking energy: -171.965 Base-Backbone interact. energy: 4.167 local terms energy: -316.887254 where: bonds (distance) C4'-P energy: -85.871 bonds (distance) P-C4' energy: -96.268 flat angles C4'-P-C4' energy: -77.670 flat angles P-C4'-P energy: -55.724 tors. eta vs tors. theta energy: -1.355 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: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1905.288760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.288760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.288760 (E_RNA) where: Base-Base interactions energy: -1307.258 where: short stacking energy: -561.674 Base-Backbone interact. energy: -2.992 local terms energy: -595.039124 where: bonds (distance) C4'-P energy: -110.757 bonds (distance) P-C4' energy: -106.864 flat angles C4'-P-C4' energy: -127.449 flat angles P-C4'-P energy: -83.962 tors. eta vs tors. theta energy: -166.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1814.359789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.359789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.359789 (E_RNA) where: Base-Base interactions energy: -1263.470 where: short stacking energy: -524.062 Base-Backbone interact. energy: -2.350 local terms energy: -548.539501 where: bonds (distance) C4'-P energy: -103.665 bonds (distance) P-C4' energy: -100.143 flat angles C4'-P-C4' energy: -118.198 flat angles P-C4'-P energy: -75.752 tors. eta vs tors. theta energy: -150.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1721.921325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.921325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.921325 (E_RNA) where: Base-Base interactions energy: -1194.210 where: short stacking energy: -470.974 Base-Backbone interact. energy: -1.569 local terms energy: -526.143105 where: bonds (distance) C4'-P energy: -93.506 bonds (distance) P-C4' energy: -111.235 flat angles C4'-P-C4' energy: -114.644 flat angles P-C4'-P energy: -76.306 tors. eta vs tors. theta energy: -130.453 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: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1698.309876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.309876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.309876 (E_RNA) where: Base-Base interactions energy: -1174.080 where: short stacking energy: -481.338 Base-Backbone interact. energy: 1.937 local terms energy: -526.167075 where: bonds (distance) C4'-P energy: -100.605 bonds (distance) P-C4' energy: -90.558 flat angles C4'-P-C4' energy: -117.985 flat angles P-C4'-P energy: -75.254 tors. eta vs tors. theta energy: -141.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1587.851810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.851810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.851810 (E_RNA) where: Base-Base interactions energy: -1077.396 where: short stacking energy: -434.106 Base-Backbone interact. energy: -3.034 local terms energy: -507.421389 where: bonds (distance) C4'-P energy: -98.457 bonds (distance) P-C4' energy: -106.127 flat angles C4'-P-C4' energy: -102.796 flat angles P-C4'-P energy: -69.255 tors. eta vs tors. theta energy: -130.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1523.484322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.484322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.484322 (E_RNA) where: Base-Base interactions energy: -1033.040 where: short stacking energy: -447.305 Base-Backbone interact. energy: -1.631 local terms energy: -488.813499 where: bonds (distance) C4'-P energy: -89.525 bonds (distance) P-C4' energy: -97.200 flat angles C4'-P-C4' energy: -115.142 flat angles P-C4'-P energy: -72.723 tors. eta vs tors. theta energy: -114.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1371.269420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.269420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.269420 (E_RNA) where: Base-Base interactions energy: -922.066 where: short stacking energy: -380.710 Base-Backbone interact. energy: -0.834 local terms energy: -448.370081 where: bonds (distance) C4'-P energy: -86.139 bonds (distance) P-C4' energy: -98.478 flat angles C4'-P-C4' energy: -103.826 flat angles P-C4'-P energy: -62.813 tors. eta vs tors. theta energy: -97.114 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: 151 Temperature: 1.250000 Total energy: -1309.703135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.703135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.703135 (E_RNA) where: Base-Base interactions energy: -863.775 where: short stacking energy: -364.203 Base-Backbone interact. energy: -2.097 local terms energy: -443.831741 where: bonds (distance) C4'-P energy: -97.186 bonds (distance) P-C4' energy: -85.889 flat angles C4'-P-C4' energy: -98.522 flat angles P-C4'-P energy: -73.098 tors. eta vs tors. theta energy: -89.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -851.959211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.959211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.959211 (E_RNA) where: Base-Base interactions energy: -497.886 where: short stacking energy: -255.418 Base-Backbone interact. energy: 2.815 local terms energy: -356.888133 where: bonds (distance) C4'-P energy: -90.953 bonds (distance) P-C4' energy: -100.301 flat angles C4'-P-C4' energy: -83.651 flat angles P-C4'-P energy: -50.575 tors. eta vs tors. theta energy: -31.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -629.685728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.685728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.685728 (E_RNA) where: Base-Base interactions energy: -344.314 where: short stacking energy: -210.747 Base-Backbone interact. energy: 1.948 local terms energy: -287.319787 where: bonds (distance) C4'-P energy: -76.309 bonds (distance) P-C4' energy: -84.603 flat angles C4'-P-C4' energy: -77.963 flat angles P-C4'-P energy: -30.367 tors. eta vs tors. theta energy: -18.077 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: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1920.962500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.962500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.962500 (E_RNA) where: Base-Base interactions energy: -1322.277 where: short stacking energy: -598.560 Base-Backbone interact. energy: -2.590 local terms energy: -596.095363 where: bonds (distance) C4'-P energy: -92.652 bonds (distance) P-C4' energy: -106.920 flat angles C4'-P-C4' energy: -132.013 flat angles P-C4'-P energy: -84.438 tors. eta vs tors. theta energy: -180.073 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: 3 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1810.623076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.623076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.623076 (E_RNA) where: Base-Base interactions energy: -1233.540 where: short stacking energy: -532.432 Base-Backbone interact. energy: -2.776 local terms energy: -574.307119 where: bonds (distance) C4'-P energy: -106.940 bonds (distance) P-C4' energy: -107.599 flat angles C4'-P-C4' energy: -125.402 flat angles P-C4'-P energy: -75.300 tors. eta vs tors. theta energy: -159.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1728.656758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.656758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.656758 (E_RNA) where: Base-Base interactions energy: -1213.432 where: short stacking energy: -499.988 Base-Backbone interact. energy: -0.660 local terms energy: -514.564303 where: bonds (distance) C4'-P energy: -94.718 bonds (distance) P-C4' energy: -98.497 flat angles C4'-P-C4' energy: -109.565 flat angles P-C4'-P energy: -73.376 tors. eta vs tors. theta energy: -138.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1680.315617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.315617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.315617 (E_RNA) where: Base-Base interactions energy: -1152.315 where: short stacking energy: -483.760 Base-Backbone interact. energy: -3.509 local terms energy: -524.491992 where: bonds (distance) C4'-P energy: -94.316 bonds (distance) P-C4' energy: -93.675 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -69.878 tors. eta vs tors. theta energy: -136.386 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: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1594.411975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.411975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.411975 (E_RNA) where: Base-Base interactions energy: -1081.389 where: short stacking energy: -458.586 Base-Backbone interact. energy: 1.909 local terms energy: -514.932339 where: bonds (distance) C4'-P energy: -100.597 bonds (distance) P-C4' energy: -99.875 flat angles C4'-P-C4' energy: -117.652 flat angles P-C4'-P energy: -70.349 tors. eta vs tors. theta energy: -126.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1492.076597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.076597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.076597 (E_RNA) where: Base-Base interactions energy: -1001.986 where: short stacking energy: -428.016 Base-Backbone interact. energy: -0.224 local terms energy: -489.867539 where: bonds (distance) C4'-P energy: -88.338 bonds (distance) P-C4' energy: -102.681 flat angles C4'-P-C4' energy: -107.035 flat angles P-C4'-P energy: -66.646 tors. eta vs tors. theta energy: -125.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1374.202542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.202542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.202542 (E_RNA) where: Base-Base interactions energy: -922.980 where: short stacking energy: -385.626 Base-Backbone interact. energy: -0.671 local terms energy: -450.552145 where: bonds (distance) C4'-P energy: -93.723 bonds (distance) P-C4' energy: -95.599 flat angles C4'-P-C4' energy: -103.263 flat angles P-C4'-P energy: -65.929 tors. eta vs tors. theta energy: -92.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1290.293961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.293961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.293961 (E_RNA) where: Base-Base interactions energy: -871.933 where: short stacking energy: -355.594 Base-Backbone interact. energy: -1.283 local terms energy: -417.077897 where: bonds (distance) C4'-P energy: -86.473 bonds (distance) P-C4' energy: -89.052 flat angles C4'-P-C4' energy: -100.561 flat angles P-C4'-P energy: -58.827 tors. eta vs tors. theta energy: -82.165 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: 152 Temperature: 1.300000 Total energy: -905.142035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.142035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.142035 (E_RNA) where: Base-Base interactions energy: -553.403 where: short stacking energy: -265.063 Base-Backbone interact. energy: -2.346 local terms energy: -349.393585 where: bonds (distance) C4'-P energy: -83.504 bonds (distance) P-C4' energy: -87.842 flat angles C4'-P-C4' energy: -77.296 flat angles P-C4'-P energy: -59.736 tors. eta vs tors. theta energy: -41.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -654.004378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.004378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.004378 (E_RNA) where: Base-Base interactions energy: -349.679 where: short stacking energy: -168.889 Base-Backbone interact. energy: -2.786 local terms energy: -301.540237 where: bonds (distance) C4'-P energy: -85.691 bonds (distance) P-C4' energy: -90.172 flat angles C4'-P-C4' energy: -79.376 flat angles P-C4'-P energy: -47.560 tors. eta vs tors. theta energy: 1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1906.737335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.737335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.737335 (E_RNA) where: Base-Base interactions energy: -1312.883 where: short stacking energy: -570.403 Base-Backbone interact. energy: -2.373 local terms energy: -591.482058 where: bonds (distance) C4'-P energy: -100.661 bonds (distance) P-C4' energy: -109.594 flat angles C4'-P-C4' energy: -133.382 flat angles P-C4'-P energy: -75.764 tors. eta vs tors. theta energy: -172.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1796.991762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.991762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.991762 (E_RNA) where: Base-Base interactions energy: -1229.270 where: short stacking energy: -521.143 Base-Backbone interact. energy: -0.167 local terms energy: -567.554975 where: bonds (distance) C4'-P energy: -106.713 bonds (distance) P-C4' energy: -104.815 flat angles C4'-P-C4' energy: -125.994 flat angles P-C4'-P energy: -82.493 tors. eta vs tors. theta energy: -147.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1749.889964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.889964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.889964 (E_RNA) where: Base-Base interactions energy: -1197.239 where: short stacking energy: -501.218 Base-Backbone interact. energy: -2.962 local terms energy: -549.688528 where: bonds (distance) C4'-P energy: -94.196 bonds (distance) P-C4' energy: -103.972 flat angles C4'-P-C4' energy: -132.251 flat angles P-C4'-P energy: -76.506 tors. eta vs tors. theta energy: -142.764 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: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1626.259314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.259314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.259314 (E_RNA) where: Base-Base interactions energy: -1119.823 where: short stacking energy: -474.559 Base-Backbone interact. energy: -2.135 local terms energy: -504.301161 where: bonds (distance) C4'-P energy: -96.172 bonds (distance) P-C4' energy: -95.543 flat angles C4'-P-C4' energy: -111.809 flat angles P-C4'-P energy: -67.163 tors. eta vs tors. theta energy: -133.614 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: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1642.334312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.334312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.334312 (E_RNA) where: Base-Base interactions energy: -1138.096 where: short stacking energy: -481.914 Base-Backbone interact. energy: -1.315 local terms energy: -502.923452 where: bonds (distance) C4'-P energy: -105.055 bonds (distance) P-C4' energy: -98.065 flat angles C4'-P-C4' energy: -110.777 flat angles P-C4'-P energy: -59.037 tors. eta vs tors. theta energy: -129.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1497.956288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.956288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.956288 (E_RNA) where: Base-Base interactions energy: -1022.437 where: short stacking energy: -422.736 Base-Backbone interact. energy: -3.771 local terms energy: -471.747790 where: bonds (distance) C4'-P energy: -85.434 bonds (distance) P-C4' energy: -94.588 flat angles C4'-P-C4' energy: -101.255 flat angles P-C4'-P energy: -69.578 tors. eta vs tors. theta energy: -120.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1380.192202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.192202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.192202 (E_RNA) where: Base-Base interactions energy: -941.194 where: short stacking energy: -402.099 Base-Backbone interact. energy: -4.071 local terms energy: -434.926937 where: bonds (distance) C4'-P energy: -93.236 bonds (distance) P-C4' energy: -90.627 flat angles C4'-P-C4' energy: -105.009 flat angles P-C4'-P energy: -56.393 tors. eta vs tors. theta energy: -89.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1316.482367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.482367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.482367 (E_RNA) where: Base-Base interactions energy: -889.236 where: short stacking energy: -399.097 Base-Backbone interact. energy: -1.108 local terms energy: -426.138292 where: bonds (distance) C4'-P energy: -102.128 bonds (distance) P-C4' energy: -74.827 flat angles C4'-P-C4' energy: -95.614 flat angles P-C4'-P energy: -57.043 tors. eta vs tors. theta energy: -96.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -878.460232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.460232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.460232 (E_RNA) where: Base-Base interactions energy: -510.799 where: short stacking energy: -248.155 Base-Backbone interact. energy: -0.211 local terms energy: -367.450898 where: bonds (distance) C4'-P energy: -94.238 bonds (distance) P-C4' energy: -88.725 flat angles C4'-P-C4' energy: -95.454 flat angles P-C4'-P energy: -56.338 tors. eta vs tors. theta energy: -32.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -599.655458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.655458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.655458 (E_RNA) where: Base-Base interactions energy: -297.612 where: short stacking energy: -159.081 Base-Backbone interact. energy: 2.111 local terms energy: -304.153976 where: bonds (distance) C4'-P energy: -84.960 bonds (distance) P-C4' energy: -90.993 flat angles C4'-P-C4' energy: -80.881 flat angles P-C4'-P energy: -55.693 tors. eta vs tors. theta energy: 8.374 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: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1887.291134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.291134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.291134 (E_RNA) where: Base-Base interactions energy: -1281.876 where: short stacking energy: -547.814 Base-Backbone interact. energy: -2.094 local terms energy: -603.320569 where: bonds (distance) C4'-P energy: -117.420 bonds (distance) P-C4' energy: -114.519 flat angles C4'-P-C4' energy: -116.840 flat angles P-C4'-P energy: -92.673 tors. eta vs tors. theta energy: -161.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1787.086961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.086961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.086961 (E_RNA) where: Base-Base interactions energy: -1231.466 where: short stacking energy: -543.460 Base-Backbone interact. energy: 1.174 local terms energy: -556.795447 where: bonds (distance) C4'-P energy: -97.916 bonds (distance) P-C4' energy: -109.831 flat angles C4'-P-C4' energy: -117.192 flat angles P-C4'-P energy: -65.574 tors. eta vs tors. theta energy: -166.282 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: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1676.909852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.909852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.909852 (E_RNA) where: Base-Base interactions energy: -1126.907 where: short stacking energy: -497.495 Base-Backbone interact. energy: -1.364 local terms energy: -548.639746 where: bonds (distance) C4'-P energy: -108.388 bonds (distance) P-C4' energy: -113.972 flat angles C4'-P-C4' energy: -103.428 flat angles P-C4'-P energy: -77.983 tors. eta vs tors. theta energy: -144.869 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: 1 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1654.626324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.626324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.626324 (E_RNA) where: Base-Base interactions energy: -1143.573 where: short stacking energy: -466.236 Base-Backbone interact. energy: -0.379 local terms energy: -510.674519 where: bonds (distance) C4'-P energy: -94.669 bonds (distance) P-C4' energy: -103.894 flat angles C4'-P-C4' energy: -117.026 flat angles P-C4'-P energy: -64.171 tors. eta vs tors. theta energy: -130.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1611.331065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.331065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.331065 (E_RNA) where: Base-Base interactions energy: -1088.948 where: short stacking energy: -445.758 Base-Backbone interact. energy: -2.255 local terms energy: -520.128137 where: bonds (distance) C4'-P energy: -100.439 bonds (distance) P-C4' energy: -98.591 flat angles C4'-P-C4' energy: -113.426 flat angles P-C4'-P energy: -78.513 tors. eta vs tors. theta energy: -129.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1503.999036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.999036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.999036 (E_RNA) where: Base-Base interactions energy: -1023.533 where: short stacking energy: -435.135 Base-Backbone interact. energy: -0.006 local terms energy: -480.459585 where: bonds (distance) C4'-P energy: -101.662 bonds (distance) P-C4' energy: -93.544 flat angles C4'-P-C4' energy: -100.878 flat angles P-C4'-P energy: -58.984 tors. eta vs tors. theta energy: -125.392 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: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1297.793842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.793842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.793842 (E_RNA) where: Base-Base interactions energy: -855.039 where: short stacking energy: -352.407 Base-Backbone interact. energy: -0.316 local terms energy: -442.438297 where: bonds (distance) C4'-P energy: -104.012 bonds (distance) P-C4' energy: -95.524 flat angles C4'-P-C4' energy: -102.149 flat angles P-C4'-P energy: -52.032 tors. eta vs tors. theta energy: -88.721 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: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1289.888107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.888107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.888107 (E_RNA) where: Base-Base interactions energy: -871.226 where: short stacking energy: -362.001 Base-Backbone interact. energy: -0.490 local terms energy: -418.172748 where: bonds (distance) C4'-P energy: -87.951 bonds (distance) P-C4' energy: -69.600 flat angles C4'-P-C4' energy: -117.470 flat angles P-C4'-P energy: -63.726 tors. eta vs tors. theta energy: -79.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -875.800490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.800490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.800490 (E_RNA) where: Base-Base interactions energy: -546.661 where: short stacking energy: -262.790 Base-Backbone interact. energy: -0.282 local terms energy: -328.856992 where: bonds (distance) C4'-P energy: -76.902 bonds (distance) P-C4' energy: -82.249 flat angles C4'-P-C4' energy: -92.931 flat angles P-C4'-P energy: -46.196 tors. eta vs tors. theta energy: -30.579 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: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -616.200010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.200010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.200010 (E_RNA) where: Base-Base interactions energy: -286.770 where: short stacking energy: -168.000 Base-Backbone interact. energy: -2.684 local terms energy: -326.745876 where: bonds (distance) C4'-P energy: -85.423 bonds (distance) P-C4' energy: -96.353 flat angles C4'-P-C4' energy: -80.792 flat angles P-C4'-P energy: -57.180 tors. eta vs tors. theta energy: -6.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1914.055169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.055169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.055169 (E_RNA) where: Base-Base interactions energy: -1328.280 where: short stacking energy: -574.285 Base-Backbone interact. energy: -1.795 local terms energy: -583.979925 where: bonds (distance) C4'-P energy: -106.385 bonds (distance) P-C4' energy: -110.807 flat angles C4'-P-C4' energy: -115.511 flat angles P-C4'-P energy: -82.973 tors. eta vs tors. theta energy: -168.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1804.107899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.107899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.107899 (E_RNA) where: Base-Base interactions energy: -1222.007 where: short stacking energy: -547.567 Base-Backbone interact. energy: 2.667 local terms energy: -584.768167 where: bonds (distance) C4'-P energy: -112.346 bonds (distance) P-C4' energy: -106.740 flat angles C4'-P-C4' energy: -118.659 flat angles P-C4'-P energy: -84.165 tors. eta vs tors. theta energy: -162.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1692.772695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.772695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.772695 (E_RNA) where: Base-Base interactions energy: -1158.084 where: short stacking energy: -493.038 Base-Backbone interact. energy: -3.794 local terms energy: -530.895154 where: bonds (distance) C4'-P energy: -100.681 bonds (distance) P-C4' energy: -107.881 flat angles C4'-P-C4' energy: -113.457 flat angles P-C4'-P energy: -73.918 tors. eta vs tors. theta energy: -134.957 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: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1662.714363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.714363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.714363 (E_RNA) where: Base-Base interactions energy: -1122.634 where: short stacking energy: -469.754 Base-Backbone interact. energy: -3.931 local terms energy: -536.148863 where: bonds (distance) C4'-P energy: -107.451 bonds (distance) P-C4' energy: -109.852 flat angles C4'-P-C4' energy: -114.774 flat angles P-C4'-P energy: -81.415 tors. eta vs tors. theta energy: -122.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1581.358256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.358256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.358256 (E_RNA) where: Base-Base interactions energy: -1077.008 where: short stacking energy: -442.314 Base-Backbone interact. energy: -3.489 local terms energy: -500.861249 where: bonds (distance) C4'-P energy: -99.221 bonds (distance) P-C4' energy: -112.872 flat angles C4'-P-C4' energy: -108.148 flat angles P-C4'-P energy: -63.901 tors. eta vs tors. theta energy: -116.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1514.719483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.719483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.719483 (E_RNA) where: Base-Base interactions energy: -1011.057 where: short stacking energy: -440.224 Base-Backbone interact. energy: -5.239 local terms energy: -498.424093 where: bonds (distance) C4'-P energy: -109.528 bonds (distance) P-C4' energy: -95.994 flat angles C4'-P-C4' energy: -107.298 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -123.109 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: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1366.445093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.445093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.445093 (E_RNA) where: Base-Base interactions energy: -937.284 where: short stacking energy: -393.063 Base-Backbone interact. energy: -0.447 local terms energy: -428.713919 where: bonds (distance) C4'-P energy: -73.021 bonds (distance) P-C4' energy: -92.089 flat angles C4'-P-C4' energy: -101.893 flat angles P-C4'-P energy: -61.020 tors. eta vs tors. theta energy: -100.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1297.036594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.036594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.036594 (E_RNA) where: Base-Base interactions energy: -876.726 where: short stacking energy: -378.161 Base-Backbone interact. energy: 7.988 local terms energy: -428.299130 where: bonds (distance) C4'-P energy: -105.077 bonds (distance) P-C4' energy: -82.557 flat angles C4'-P-C4' energy: -96.211 flat angles P-C4'-P energy: -67.146 tors. eta vs tors. theta energy: -77.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -928.621581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.621581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.621581 (E_RNA) where: Base-Base interactions energy: -550.844 where: short stacking energy: -253.392 Base-Backbone interact. energy: -2.640 local terms energy: -375.137550 where: bonds (distance) C4'-P energy: -101.058 bonds (distance) P-C4' energy: -95.581 flat angles C4'-P-C4' energy: -84.321 flat angles P-C4'-P energy: -52.806 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: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -610.909767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.909767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.909767 (E_RNA) where: Base-Base interactions energy: -323.310 where: short stacking energy: -173.827 Base-Backbone interact. energy: -2.130 local terms energy: -285.470318 where: bonds (distance) C4'-P energy: -79.885 bonds (distance) P-C4' energy: -84.634 flat angles C4'-P-C4' energy: -52.591 flat angles P-C4'-P energy: -60.132 tors. eta vs tors. theta energy: -8.229 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: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1910.428705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.428705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.428705 (E_RNA) where: Base-Base interactions energy: -1306.412 where: short stacking energy: -582.798 Base-Backbone interact. energy: -0.020 local terms energy: -603.996883 where: bonds (distance) C4'-P energy: -117.223 bonds (distance) P-C4' energy: -112.446 flat angles C4'-P-C4' energy: -124.042 flat angles P-C4'-P energy: -80.452 tors. eta vs tors. theta energy: -169.833 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: 2, replica: 3 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1798.207160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.207160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.207160 (E_RNA) where: Base-Base interactions energy: -1221.136 where: short stacking energy: -531.142 Base-Backbone interact. energy: -2.172 local terms energy: -574.898826 where: bonds (distance) C4'-P energy: -111.315 bonds (distance) P-C4' energy: -101.126 flat angles C4'-P-C4' energy: -124.707 flat angles P-C4'-P energy: -82.695 tors. eta vs tors. theta energy: -155.056 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: 3, replica: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1669.481411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.481411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.481411 (E_RNA) where: Base-Base interactions energy: -1140.085 where: short stacking energy: -480.060 Base-Backbone interact. energy: -2.573 local terms energy: -526.823064 where: bonds (distance) C4'-P energy: -94.819 bonds (distance) P-C4' energy: -109.319 flat angles C4'-P-C4' energy: -118.202 flat angles P-C4'-P energy: -78.493 tors. eta vs tors. theta energy: -125.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1716.479234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.479234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.479234 (E_RNA) where: Base-Base interactions energy: -1170.733 where: short stacking energy: -498.601 Base-Backbone interact. energy: 2.122 local terms energy: -547.867869 where: bonds (distance) C4'-P energy: -99.303 bonds (distance) P-C4' energy: -111.828 flat angles C4'-P-C4' energy: -113.107 flat angles P-C4'-P energy: -78.074 tors. eta vs tors. theta energy: -145.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1601.798414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.798414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.798414 (E_RNA) where: Base-Base interactions energy: -1097.644 where: short stacking energy: -458.912 Base-Backbone interact. energy: -2.058 local terms energy: -502.096484 where: bonds (distance) C4'-P energy: -98.200 bonds (distance) P-C4' energy: -101.216 flat angles C4'-P-C4' energy: -103.372 flat angles P-C4'-P energy: -73.112 tors. eta vs tors. theta energy: -126.196 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: 156 Temperature: 1.150000 Total energy: -1494.022575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.022575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.022575 (E_RNA) where: Base-Base interactions energy: -1026.953 where: short stacking energy: -426.040 Base-Backbone interact. energy: -0.778 local terms energy: -466.291857 where: bonds (distance) C4'-P energy: -96.154 bonds (distance) P-C4' energy: -96.164 flat angles C4'-P-C4' energy: -100.649 flat angles P-C4'-P energy: -63.652 tors. eta vs tors. theta energy: -109.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1421.975738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.975738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.975738 (E_RNA) where: Base-Base interactions energy: -969.094 where: short stacking energy: -452.196 Base-Backbone interact. energy: -1.543 local terms energy: -451.338985 where: bonds (distance) C4'-P energy: -95.718 bonds (distance) P-C4' energy: -73.150 flat angles C4'-P-C4' energy: -112.151 flat angles P-C4'-P energy: -54.767 tors. eta vs tors. theta energy: -115.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1289.754184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.754184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.754184 (E_RNA) where: Base-Base interactions energy: -894.874 where: short stacking energy: -397.466 Base-Backbone interact. energy: 2.807 local terms energy: -397.687968 where: bonds (distance) C4'-P energy: -84.995 bonds (distance) P-C4' energy: -69.374 flat angles C4'-P-C4' energy: -89.343 flat angles P-C4'-P energy: -60.500 tors. eta vs tors. theta energy: -93.477 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: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -910.050385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.050385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.050385 (E_RNA) where: Base-Base interactions energy: -562.948 where: short stacking energy: -272.493 Base-Backbone interact. energy: -2.402 local terms energy: -344.701015 where: bonds (distance) C4'-P energy: -66.484 bonds (distance) P-C4' energy: -90.027 flat angles C4'-P-C4' energy: -94.095 flat angles P-C4'-P energy: -48.223 tors. eta vs tors. theta energy: -45.872 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: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -614.444871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.444871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.444871 (E_RNA) where: Base-Base interactions energy: -307.125 where: short stacking energy: -162.911 Base-Backbone interact. energy: -0.670 local terms energy: -306.649556 where: bonds (distance) C4'-P energy: -73.086 bonds (distance) P-C4' energy: -97.480 flat angles C4'-P-C4' energy: -94.124 flat angles P-C4'-P energy: -43.535 tors. eta vs tors. theta energy: 1.576 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: 1, replica: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1906.482104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.482104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.482104 (E_RNA) where: Base-Base interactions energy: -1286.986 where: short stacking energy: -568.973 Base-Backbone interact. energy: -1.915 local terms energy: -617.580302 where: bonds (distance) C4'-P energy: -115.501 bonds (distance) P-C4' energy: -116.140 flat angles C4'-P-C4' energy: -120.639 flat angles P-C4'-P energy: -86.806 tors. eta vs tors. theta energy: -178.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1808.073741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.073741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.073741 (E_RNA) where: Base-Base interactions energy: -1242.303 where: short stacking energy: -538.925 Base-Backbone interact. energy: 0.376 local terms energy: -566.147149 where: bonds (distance) C4'-P energy: -106.603 bonds (distance) P-C4' energy: -98.408 flat angles C4'-P-C4' energy: -118.509 flat angles P-C4'-P energy: -82.639 tors. eta vs tors. theta energy: -159.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1671.731169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.731169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.731169 (E_RNA) where: Base-Base interactions energy: -1138.003 where: short stacking energy: -504.716 Base-Backbone interact. energy: 3.221 local terms energy: -536.949014 where: bonds (distance) C4'-P energy: -101.273 bonds (distance) P-C4' energy: -106.665 flat angles C4'-P-C4' energy: -118.816 flat angles P-C4'-P energy: -84.111 tors. eta vs tors. theta energy: -126.084 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: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1714.710362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.710362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.710362 (E_RNA) where: Base-Base interactions energy: -1175.338 where: short stacking energy: -499.949 Base-Backbone interact. energy: 0.415 local terms energy: -539.787564 where: bonds (distance) C4'-P energy: -93.719 bonds (distance) P-C4' energy: -103.876 flat angles C4'-P-C4' energy: -118.121 flat angles P-C4'-P energy: -73.039 tors. eta vs tors. theta energy: -151.032 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: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1592.775484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.775484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.775484 (E_RNA) where: Base-Base interactions energy: -1131.652 where: short stacking energy: -432.157 Base-Backbone interact. energy: 2.180 local terms energy: -463.303446 where: bonds (distance) C4'-P energy: -88.463 bonds (distance) P-C4' energy: -84.108 flat angles C4'-P-C4' energy: -115.624 flat angles P-C4'-P energy: -66.797 tors. eta vs tors. theta energy: -108.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1477.400797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.400797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.400797 (E_RNA) where: Base-Base interactions energy: -1006.102 where: short stacking energy: -425.752 Base-Backbone interact. energy: -1.590 local terms energy: -469.709099 where: bonds (distance) C4'-P energy: -97.544 bonds (distance) P-C4' energy: -93.374 flat angles C4'-P-C4' energy: -91.961 flat angles P-C4'-P energy: -66.436 tors. eta vs tors. theta energy: -120.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1421.728663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.728663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.728663 (E_RNA) where: Base-Base interactions energy: -964.951 where: short stacking energy: -423.108 Base-Backbone interact. energy: -1.464 local terms energy: -455.314070 where: bonds (distance) C4'-P energy: -81.685 bonds (distance) P-C4' energy: -103.153 flat angles C4'-P-C4' energy: -108.689 flat angles P-C4'-P energy: -51.706 tors. eta vs tors. theta energy: -110.082 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: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1263.988451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.988451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.988451 (E_RNA) where: Base-Base interactions energy: -842.021 where: short stacking energy: -357.863 Base-Backbone interact. energy: -0.875 local terms energy: -421.092689 where: bonds (distance) C4'-P energy: -81.027 bonds (distance) P-C4' energy: -89.940 flat angles C4'-P-C4' energy: -99.222 flat angles P-C4'-P energy: -64.190 tors. eta vs tors. theta energy: -86.713 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: 9, replica: 9 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1013.960134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.960134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.960134 (E_RNA) where: Base-Base interactions energy: -653.734 where: short stacking energy: -293.922 Base-Backbone interact. energy: 1.402 local terms energy: -361.628330 where: bonds (distance) C4'-P energy: -87.578 bonds (distance) P-C4' energy: -93.080 flat angles C4'-P-C4' energy: -86.392 flat angles P-C4'-P energy: -40.688 tors. eta vs tors. theta energy: -53.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -598.713021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.713021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.713021 (E_RNA) where: Base-Base interactions energy: -292.374 where: short stacking energy: -153.546 Base-Backbone interact. energy: 0.177 local terms energy: -306.516759 where: bonds (distance) C4'-P energy: -68.048 bonds (distance) P-C4' energy: -105.559 flat angles C4'-P-C4' energy: -81.301 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: 5.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1895.628429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.628429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.628429 (E_RNA) where: Base-Base interactions energy: -1275.036 where: short stacking energy: -566.126 Base-Backbone interact. energy: -0.046 local terms energy: -620.546850 where: bonds (distance) C4'-P energy: -105.420 bonds (distance) P-C4' energy: -115.268 flat angles C4'-P-C4' energy: -133.628 flat angles P-C4'-P energy: -94.198 tors. eta vs tors. theta energy: -172.033 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: 3 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1787.436894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.436894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.436894 (E_RNA) where: Base-Base interactions energy: -1231.427 where: short stacking energy: -519.520 Base-Backbone interact. energy: -3.566 local terms energy: -552.444059 where: bonds (distance) C4'-P energy: -90.919 bonds (distance) P-C4' energy: -95.435 flat angles C4'-P-C4' energy: -123.609 flat angles P-C4'-P energy: -83.120 tors. eta vs tors. theta energy: -159.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1760.479020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.479020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.479020 (E_RNA) where: Base-Base interactions energy: -1217.458 where: short stacking energy: -531.565 Base-Backbone interact. energy: -2.400 local terms energy: -540.621100 where: bonds (distance) C4'-P energy: -90.519 bonds (distance) P-C4' energy: -101.014 flat angles C4'-P-C4' energy: -118.335 flat angles P-C4'-P energy: -80.497 tors. eta vs tors. theta energy: -150.256 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: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1652.078455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.078455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.078455 (E_RNA) where: Base-Base interactions energy: -1135.851 where: short stacking energy: -488.700 Base-Backbone interact. energy: -2.308 local terms energy: -513.918856 where: bonds (distance) C4'-P energy: -99.995 bonds (distance) P-C4' energy: -95.092 flat angles C4'-P-C4' energy: -110.140 flat angles P-C4'-P energy: -73.206 tors. eta vs tors. theta energy: -135.486 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: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1624.870844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.870844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.870844 (E_RNA) where: Base-Base interactions energy: -1129.440 where: short stacking energy: -470.597 Base-Backbone interact. energy: -2.512 local terms energy: -492.918299 where: bonds (distance) C4'-P energy: -95.085 bonds (distance) P-C4' energy: -99.151 flat angles C4'-P-C4' energy: -101.034 flat angles P-C4'-P energy: -68.685 tors. eta vs tors. theta energy: -128.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1480.773527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.773527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.773527 (E_RNA) where: Base-Base interactions energy: -1028.007 where: short stacking energy: -433.878 Base-Backbone interact. energy: -1.856 local terms energy: -450.910408 where: bonds (distance) C4'-P energy: -88.020 bonds (distance) P-C4' energy: -99.336 flat angles C4'-P-C4' energy: -92.122 flat angles P-C4'-P energy: -56.696 tors. eta vs tors. theta energy: -114.736 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: 10 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1456.136970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.136970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.136970 (E_RNA) where: Base-Base interactions energy: -978.530 where: short stacking energy: -425.349 Base-Backbone interact. energy: -1.107 local terms energy: -476.499982 where: bonds (distance) C4'-P energy: -90.735 bonds (distance) P-C4' energy: -84.008 flat angles C4'-P-C4' energy: -121.244 flat angles P-C4'-P energy: -64.480 tors. eta vs tors. theta energy: -116.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1326.978083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.978083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.978083 (E_RNA) where: Base-Base interactions energy: -857.941 where: short stacking energy: -362.346 Base-Backbone interact. energy: 3.433 local terms energy: -472.470339 where: bonds (distance) C4'-P energy: -110.523 bonds (distance) P-C4' energy: -97.367 flat angles C4'-P-C4' energy: -106.903 flat angles P-C4'-P energy: -60.952 tors. eta vs tors. theta energy: -96.725 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: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -918.743888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.743888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.743888 (E_RNA) where: Base-Base interactions energy: -570.326 where: short stacking energy: -249.041 Base-Backbone interact. energy: 2.824 local terms energy: -351.241210 where: bonds (distance) C4'-P energy: -83.994 bonds (distance) P-C4' energy: -88.752 flat angles C4'-P-C4' energy: -92.261 flat angles P-C4'-P energy: -53.887 tors. eta vs tors. theta energy: -32.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -574.259018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.259018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.259018 (E_RNA) where: Base-Base interactions energy: -278.504 where: short stacking energy: -160.180 Base-Backbone interact. energy: 1.319 local terms energy: -297.073855 where: bonds (distance) C4'-P energy: -90.463 bonds (distance) P-C4' energy: -87.447 flat angles C4'-P-C4' energy: -71.896 flat angles P-C4'-P energy: -48.382 tors. eta vs tors. theta energy: 1.114 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: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1894.838868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.838868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.838868 (E_RNA) where: Base-Base interactions energy: -1303.982 where: short stacking energy: -561.475 Base-Backbone interact. energy: -1.727 local terms energy: -589.130329 where: bonds (distance) C4'-P energy: -101.353 bonds (distance) P-C4' energy: -103.463 flat angles C4'-P-C4' energy: -122.584 flat angles P-C4'-P energy: -93.103 tors. eta vs tors. theta energy: -168.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1788.139099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.139099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.139099 (E_RNA) where: Base-Base interactions energy: -1215.631 where: short stacking energy: -538.914 Base-Backbone interact. energy: 0.377 local terms energy: -572.885598 where: bonds (distance) C4'-P energy: -106.083 bonds (distance) P-C4' energy: -113.964 flat angles C4'-P-C4' energy: -122.834 flat angles P-C4'-P energy: -72.115 tors. eta vs tors. theta energy: -157.890 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: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1768.896435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.896435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.896435 (E_RNA) where: Base-Base interactions energy: -1202.855 where: short stacking energy: -516.943 Base-Backbone interact. energy: 0.312 local terms energy: -566.353534 where: bonds (distance) C4'-P energy: -100.187 bonds (distance) P-C4' energy: -104.458 flat angles C4'-P-C4' energy: -121.821 flat angles P-C4'-P energy: -80.530 tors. eta vs tors. theta energy: -159.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1621.051672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.051672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.051672 (E_RNA) where: Base-Base interactions energy: -1108.588 where: short stacking energy: -456.853 Base-Backbone interact. energy: -0.528 local terms energy: -511.935444 where: bonds (distance) C4'-P energy: -90.066 bonds (distance) P-C4' energy: -105.862 flat angles C4'-P-C4' energy: -110.753 flat angles P-C4'-P energy: -68.543 tors. eta vs tors. theta energy: -136.712 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: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1566.675832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.675832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.675832 (E_RNA) where: Base-Base interactions energy: -1061.267 where: short stacking energy: -450.473 Base-Backbone interact. energy: -2.577 local terms energy: -502.831005 where: bonds (distance) C4'-P energy: -99.383 bonds (distance) P-C4' energy: -111.596 flat angles C4'-P-C4' energy: -106.533 flat angles P-C4'-P energy: -60.495 tors. eta vs tors. theta energy: -124.824 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: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1448.816732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.816732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.816732 (E_RNA) where: Base-Base interactions energy: -989.556 where: short stacking energy: -430.536 Base-Backbone interact. energy: -0.894 local terms energy: -458.367113 where: bonds (distance) C4'-P energy: -92.927 bonds (distance) P-C4' energy: -91.413 flat angles C4'-P-C4' energy: -100.599 flat angles P-C4'-P energy: -59.030 tors. eta vs tors. theta energy: -114.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1391.839228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.839228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.839228 (E_RNA) where: Base-Base interactions energy: -929.317 where: short stacking energy: -396.457 Base-Backbone interact. energy: -1.692 local terms energy: -460.830795 where: bonds (distance) C4'-P energy: -111.761 bonds (distance) P-C4' energy: -82.737 flat angles C4'-P-C4' energy: -99.581 flat angles P-C4'-P energy: -66.256 tors. eta vs tors. theta energy: -100.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1318.463755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.463755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.463755 (E_RNA) where: Base-Base interactions energy: -892.170 where: short stacking energy: -364.602 Base-Backbone interact. energy: 0.448 local terms energy: -426.742547 where: bonds (distance) C4'-P energy: -71.419 bonds (distance) P-C4' energy: -90.015 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -72.310 tors. eta vs tors. theta energy: -90.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -966.413649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.413649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.413649 (E_RNA) where: Base-Base interactions energy: -595.904 where: short stacking energy: -286.498 Base-Backbone interact. energy: -3.366 local terms energy: -367.143681 where: bonds (distance) C4'-P energy: -88.145 bonds (distance) P-C4' energy: -103.655 flat angles C4'-P-C4' energy: -82.194 flat angles P-C4'-P energy: -47.711 tors. eta vs tors. theta energy: -45.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -671.215593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.215593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.215593 (E_RNA) where: Base-Base interactions energy: -372.537 where: short stacking energy: -189.374 Base-Backbone interact. energy: 3.932 local terms energy: -302.609874 where: bonds (distance) C4'-P energy: -81.921 bonds (distance) P-C4' energy: -93.613 flat angles C4'-P-C4' energy: -71.908 flat angles P-C4'-P energy: -45.513 tors. eta vs tors. theta energy: -9.655 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: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1871.563815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.563815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.563815 (E_RNA) where: Base-Base interactions energy: -1286.017 where: short stacking energy: -573.367 Base-Backbone interact. energy: -2.210 local terms energy: -583.336042 where: bonds (distance) C4'-P energy: -99.321 bonds (distance) P-C4' energy: -103.672 flat angles C4'-P-C4' energy: -127.691 flat angles P-C4'-P energy: -80.126 tors. eta vs tors. theta energy: -172.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1767.236646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.236646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.236646 (E_RNA) where: Base-Base interactions energy: -1191.149 where: short stacking energy: -522.263 Base-Backbone interact. energy: 1.881 local terms energy: -577.969076 where: bonds (distance) C4'-P energy: -106.045 bonds (distance) P-C4' energy: -107.050 flat angles C4'-P-C4' energy: -131.651 flat angles P-C4'-P energy: -85.283 tors. eta vs tors. theta energy: -147.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1766.928296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.928296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.928296 (E_RNA) where: Base-Base interactions energy: -1223.188 where: short stacking energy: -520.698 Base-Backbone interact. energy: -2.156 local terms energy: -541.584146 where: bonds (distance) C4'-P energy: -90.357 bonds (distance) P-C4' energy: -111.479 flat angles C4'-P-C4' energy: -105.971 flat angles P-C4'-P energy: -83.250 tors. eta vs tors. theta energy: -150.527 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: 1 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1688.125526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.125526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.125526 (E_RNA) where: Base-Base interactions energy: -1155.708 where: short stacking energy: -486.378 Base-Backbone interact. energy: -3.362 local terms energy: -529.056054 where: bonds (distance) C4'-P energy: -87.610 bonds (distance) P-C4' energy: -101.316 flat angles C4'-P-C4' energy: -112.575 flat angles P-C4'-P energy: -79.905 tors. eta vs tors. theta energy: -147.651 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: 4 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1565.219040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.219040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.219040 (E_RNA) where: Base-Base interactions energy: -1057.190 where: short stacking energy: -430.560 Base-Backbone interact. energy: -4.139 local terms energy: -503.889690 where: bonds (distance) C4'-P energy: -105.288 bonds (distance) P-C4' energy: -104.693 flat angles C4'-P-C4' energy: -110.352 flat angles P-C4'-P energy: -66.391 tors. eta vs tors. theta energy: -117.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1447.866347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.866347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.866347 (E_RNA) where: Base-Base interactions energy: -990.537 where: short stacking energy: -407.455 Base-Backbone interact. energy: -0.621 local terms energy: -456.707829 where: bonds (distance) C4'-P energy: -102.921 bonds (distance) P-C4' energy: -97.818 flat angles C4'-P-C4' energy: -105.855 flat angles P-C4'-P energy: -60.388 tors. eta vs tors. theta energy: -89.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1374.030606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.030606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.030606 (E_RNA) where: Base-Base interactions energy: -938.706 where: short stacking energy: -401.292 Base-Backbone interact. energy: -1.809 local terms energy: -433.515867 where: bonds (distance) C4'-P energy: -77.390 bonds (distance) P-C4' energy: -91.403 flat angles C4'-P-C4' energy: -97.386 flat angles P-C4'-P energy: -59.309 tors. eta vs tors. theta energy: -108.028 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: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1307.841018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.841018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.841018 (E_RNA) where: Base-Base interactions energy: -882.822 where: short stacking energy: -360.467 Base-Backbone interact. energy: 1.831 local terms energy: -426.849967 where: bonds (distance) C4'-P energy: -88.985 bonds (distance) P-C4' energy: -94.464 flat angles C4'-P-C4' energy: -88.005 flat angles P-C4'-P energy: -73.769 tors. eta vs tors. theta energy: -81.628 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: 160 Temperature: 1.300000 Total energy: -1002.141725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.141725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.141725 (E_RNA) where: Base-Base interactions energy: -648.988 where: short stacking energy: -278.021 Base-Backbone interact. energy: 0.099 local terms energy: -353.252848 where: bonds (distance) C4'-P energy: -86.316 bonds (distance) P-C4' energy: -89.245 flat angles C4'-P-C4' energy: -81.092 flat angles P-C4'-P energy: -48.747 tors. eta vs tors. theta energy: -47.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -669.546501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.546501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.546501 (E_RNA) where: Base-Base interactions energy: -361.562 where: short stacking energy: -169.263 Base-Backbone interact. energy: 0.320 local terms energy: -308.304047 where: bonds (distance) C4'-P energy: -90.024 bonds (distance) P-C4' energy: -102.142 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -37.130 tors. eta vs tors. theta energy: -8.393 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: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1892.396942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.396942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.396942 (E_RNA) where: Base-Base interactions energy: -1284.684 where: short stacking energy: -551.576 Base-Backbone interact. energy: -1.932 local terms energy: -605.780700 where: bonds (distance) C4'-P energy: -106.141 bonds (distance) P-C4' energy: -111.556 flat angles C4'-P-C4' energy: -126.226 flat angles P-C4'-P energy: -93.413 tors. eta vs tors. theta energy: -168.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1835.393377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.393377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.393377 (E_RNA) where: Base-Base interactions energy: -1261.572 where: short stacking energy: -551.788 Base-Backbone interact. energy: -2.342 local terms energy: -571.479837 where: bonds (distance) C4'-P energy: -96.565 bonds (distance) P-C4' energy: -104.443 flat angles C4'-P-C4' energy: -125.613 flat angles P-C4'-P energy: -90.516 tors. eta vs tors. theta energy: -154.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1742.784872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.784872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.784872 (E_RNA) where: Base-Base interactions energy: -1162.867 where: short stacking energy: -520.137 Base-Backbone interact. energy: -2.492 local terms energy: -577.426435 where: bonds (distance) C4'-P energy: -111.997 bonds (distance) P-C4' energy: -94.455 flat angles C4'-P-C4' energy: -123.232 flat angles P-C4'-P energy: -88.261 tors. eta vs tors. theta energy: -159.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1649.648502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.648502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.648502 (E_RNA) where: Base-Base interactions energy: -1122.609 where: short stacking energy: -468.025 Base-Backbone interact. energy: -3.019 local terms energy: -524.020090 where: bonds (distance) C4'-P energy: -98.933 bonds (distance) P-C4' energy: -99.483 flat angles C4'-P-C4' energy: -118.577 flat angles P-C4'-P energy: -71.510 tors. eta vs tors. theta energy: -135.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1567.558714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.558714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.558714 (E_RNA) where: Base-Base interactions energy: -1058.288 where: short stacking energy: -443.437 Base-Backbone interact. energy: -1.168 local terms energy: -508.102707 where: bonds (distance) C4'-P energy: -93.586 bonds (distance) P-C4' energy: -115.523 flat angles C4'-P-C4' energy: -107.772 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: -126.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1480.609308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.609308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.609308 (E_RNA) where: Base-Base interactions energy: -965.706 where: short stacking energy: -433.569 Base-Backbone interact. energy: -1.638 local terms energy: -513.265201 where: bonds (distance) C4'-P energy: -95.199 bonds (distance) P-C4' energy: -106.530 flat angles C4'-P-C4' energy: -111.263 flat angles P-C4'-P energy: -72.026 tors. eta vs tors. theta energy: -128.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1383.240009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.240009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.240009 (E_RNA) where: Base-Base interactions energy: -934.258 where: short stacking energy: -417.031 Base-Backbone interact. energy: 0.563 local terms energy: -449.544681 where: bonds (distance) C4'-P energy: -79.615 bonds (distance) P-C4' energy: -100.982 flat angles C4'-P-C4' energy: -95.357 flat angles P-C4'-P energy: -67.969 tors. eta vs tors. theta energy: -105.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1274.801591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.801591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.801591 (E_RNA) where: Base-Base interactions energy: -850.883 where: short stacking energy: -346.859 Base-Backbone interact. energy: -0.140 local terms energy: -423.778318 where: bonds (distance) C4'-P energy: -89.421 bonds (distance) P-C4' energy: -102.145 flat angles C4'-P-C4' energy: -97.546 flat angles P-C4'-P energy: -63.042 tors. eta vs tors. theta energy: -71.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1038.241270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.241270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.241270 (E_RNA) where: Base-Base interactions energy: -676.585 where: short stacking energy: -310.095 Base-Backbone interact. energy: 1.704 local terms energy: -363.361145 where: bonds (distance) C4'-P energy: -80.539 bonds (distance) P-C4' energy: -91.187 flat angles C4'-P-C4' energy: -86.641 flat angles P-C4'-P energy: -43.829 tors. eta vs tors. theta energy: -61.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -608.890024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.890024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.890024 (E_RNA) where: Base-Base interactions energy: -323.960 where: short stacking energy: -163.612 Base-Backbone interact. energy: 0.448 local terms energy: -285.377517 where: bonds (distance) C4'-P energy: -90.229 bonds (distance) P-C4' energy: -98.069 flat angles C4'-P-C4' energy: -65.448 flat angles P-C4'-P energy: -35.670 tors. eta vs tors. theta energy: 4.039 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: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1903.958511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.958511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.958511 (E_RNA) where: Base-Base interactions energy: -1304.883 where: short stacking energy: -573.146 Base-Backbone interact. energy: -0.164 local terms energy: -598.911725 where: bonds (distance) C4'-P energy: -111.901 bonds (distance) P-C4' energy: -119.122 flat angles C4'-P-C4' energy: -116.555 flat angles P-C4'-P energy: -82.693 tors. eta vs tors. theta energy: -168.641 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: 162 Temperature: 0.950000 Total energy: -1780.233470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.233470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.233470 (E_RNA) where: Base-Base interactions energy: -1198.941 where: short stacking energy: -515.930 Base-Backbone interact. energy: -1.776 local terms energy: -579.515714 where: bonds (distance) C4'-P energy: -107.589 bonds (distance) P-C4' energy: -109.794 flat angles C4'-P-C4' energy: -119.864 flat angles P-C4'-P energy: -86.556 tors. eta vs tors. theta energy: -155.713 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: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1740.196201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.196201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.196201 (E_RNA) where: Base-Base interactions energy: -1200.543 where: short stacking energy: -519.708 Base-Backbone interact. energy: -3.710 local terms energy: -535.943382 where: bonds (distance) C4'-P energy: -97.975 bonds (distance) P-C4' energy: -95.441 flat angles C4'-P-C4' energy: -117.502 flat angles P-C4'-P energy: -70.554 tors. eta vs tors. theta energy: -154.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1640.751969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.751969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.751969 (E_RNA) where: Base-Base interactions energy: -1131.547 where: short stacking energy: -457.345 Base-Backbone interact. energy: -2.186 local terms energy: -507.018891 where: bonds (distance) C4'-P energy: -114.733 bonds (distance) P-C4' energy: -108.589 flat angles C4'-P-C4' energy: -102.615 flat angles P-C4'-P energy: -59.261 tors. eta vs tors. theta energy: -121.820 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: 4 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1597.601349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.601349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.601349 (E_RNA) where: Base-Base interactions energy: -1134.933 where: short stacking energy: -475.266 Base-Backbone interact. energy: -3.254 local terms energy: -459.414925 where: bonds (distance) C4'-P energy: -83.105 bonds (distance) P-C4' energy: -97.258 flat angles C4'-P-C4' energy: -93.819 flat angles P-C4'-P energy: -57.956 tors. eta vs tors. theta energy: -127.276 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: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1437.709796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.709796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.709796 (E_RNA) where: Base-Base interactions energy: -986.465 where: short stacking energy: -442.076 Base-Backbone interact. energy: 2.620 local terms energy: -453.865135 where: bonds (distance) C4'-P energy: -82.392 bonds (distance) P-C4' energy: -80.768 flat angles C4'-P-C4' energy: -102.328 flat angles P-C4'-P energy: -67.643 tors. eta vs tors. theta energy: -120.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1341.424020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.424020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.424020 (E_RNA) where: Base-Base interactions energy: -910.791 where: short stacking energy: -380.750 Base-Backbone interact. energy: -1.246 local terms energy: -429.387218 where: bonds (distance) C4'-P energy: -90.618 bonds (distance) P-C4' energy: -103.870 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -39.842 tors. eta vs tors. theta energy: -104.672 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: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1237.192170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.192170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.192170 (E_RNA) where: Base-Base interactions energy: -827.350 where: short stacking energy: -330.788 Base-Backbone interact. energy: 0.941 local terms energy: -410.783259 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -97.545 flat angles C4'-P-C4' energy: -102.545 flat angles P-C4'-P energy: -61.829 tors. eta vs tors. theta energy: -62.848 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: 162 Temperature: 1.300000 Total energy: -1070.889754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.889754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.889754 (E_RNA) where: Base-Base interactions energy: -707.743 where: short stacking energy: -287.889 Base-Backbone interact. energy: 6.560 local terms energy: -369.707086 where: bonds (distance) C4'-P energy: -89.528 bonds (distance) P-C4' energy: -91.316 flat angles C4'-P-C4' energy: -95.709 flat angles P-C4'-P energy: -43.696 tors. eta vs tors. theta energy: -49.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -699.244530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.244530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.244530 (E_RNA) where: Base-Base interactions energy: -346.566 where: short stacking energy: -185.823 Base-Backbone interact. energy: -1.847 local terms energy: -350.831301 where: bonds (distance) C4'-P energy: -96.082 bonds (distance) P-C4' energy: -86.790 flat angles C4'-P-C4' energy: -80.909 flat angles P-C4'-P energy: -66.069 tors. eta vs tors. theta energy: -20.980 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: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1870.476084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.476084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.476084 (E_RNA) where: Base-Base interactions energy: -1259.930 where: short stacking energy: -535.466 Base-Backbone interact. energy: -0.433 local terms energy: -610.112282 where: bonds (distance) C4'-P energy: -126.239 bonds (distance) P-C4' energy: -108.043 flat angles C4'-P-C4' energy: -125.520 flat angles P-C4'-P energy: -84.956 tors. eta vs tors. theta energy: -165.355 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: 2, replica: 5 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1793.701312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.701312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.701312 (E_RNA) where: Base-Base interactions energy: -1217.164 where: short stacking energy: -532.528 Base-Backbone interact. energy: -3.605 local terms energy: -572.932518 where: bonds (distance) C4'-P energy: -102.560 bonds (distance) P-C4' energy: -104.924 flat angles C4'-P-C4' energy: -125.976 flat angles P-C4'-P energy: -80.959 tors. eta vs tors. theta energy: -158.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1719.168688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.168688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.168688 (E_RNA) where: Base-Base interactions energy: -1169.566 where: short stacking energy: -505.014 Base-Backbone interact. energy: -0.152 local terms energy: -549.451112 where: bonds (distance) C4'-P energy: -101.426 bonds (distance) P-C4' energy: -109.531 flat angles C4'-P-C4' energy: -112.661 flat angles P-C4'-P energy: -70.444 tors. eta vs tors. theta energy: -155.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1638.532357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.532357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.532357 (E_RNA) where: Base-Base interactions energy: -1134.342 where: short stacking energy: -451.979 Base-Backbone interact. energy: -1.902 local terms energy: -502.288497 where: bonds (distance) C4'-P energy: -91.260 bonds (distance) P-C4' energy: -93.219 flat angles C4'-P-C4' energy: -113.325 flat angles P-C4'-P energy: -71.076 tors. eta vs tors. theta energy: -133.409 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: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1594.542901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.542901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.542901 (E_RNA) where: Base-Base interactions energy: -1104.712 where: short stacking energy: -485.705 Base-Backbone interact. energy: 2.056 local terms energy: -491.887429 where: bonds (distance) C4'-P energy: -86.793 bonds (distance) P-C4' energy: -101.388 flat angles C4'-P-C4' energy: -104.708 flat angles P-C4'-P energy: -70.267 tors. eta vs tors. theta energy: -128.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1405.695225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.695225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.695225 (E_RNA) where: Base-Base interactions energy: -915.810 where: short stacking energy: -386.035 Base-Backbone interact. energy: -4.668 local terms energy: -485.216757 where: bonds (distance) C4'-P energy: -93.377 bonds (distance) P-C4' energy: -91.986 flat angles C4'-P-C4' energy: -113.501 flat angles P-C4'-P energy: -68.476 tors. eta vs tors. theta energy: -117.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1352.494607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.494607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.494607 (E_RNA) where: Base-Base interactions energy: -913.637 where: short stacking energy: -360.843 Base-Backbone interact. energy: 0.485 local terms energy: -439.343036 where: bonds (distance) C4'-P energy: -88.019 bonds (distance) P-C4' energy: -90.974 flat angles C4'-P-C4' energy: -100.372 flat angles P-C4'-P energy: -65.093 tors. eta vs tors. theta energy: -94.886 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: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1244.014789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.014789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.014789 (E_RNA) where: Base-Base interactions energy: -834.051 where: short stacking energy: -368.119 Base-Backbone interact. energy: 1.056 local terms energy: -411.019414 where: bonds (distance) C4'-P energy: -72.201 bonds (distance) P-C4' energy: -100.086 flat angles C4'-P-C4' energy: -93.196 flat angles P-C4'-P energy: -54.794 tors. eta vs tors. theta energy: -90.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1039.274416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.274416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.274416 (E_RNA) where: Base-Base interactions energy: -672.258 where: short stacking energy: -289.758 Base-Backbone interact. energy: -1.712 local terms energy: -365.304063 where: bonds (distance) C4'-P energy: -83.235 bonds (distance) P-C4' energy: -91.707 flat angles C4'-P-C4' energy: -83.175 flat angles P-C4'-P energy: -52.049 tors. eta vs tors. theta energy: -55.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -594.125840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.125840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.125840 (E_RNA) where: Base-Base interactions energy: -308.903 where: short stacking energy: -158.218 Base-Backbone interact. energy: 4.937 local terms energy: -290.159681 where: bonds (distance) C4'-P energy: -88.440 bonds (distance) P-C4' energy: -87.028 flat angles C4'-P-C4' energy: -84.344 flat angles P-C4'-P energy: -31.413 tors. eta vs tors. theta energy: 1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1904.360811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.360811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.360811 (E_RNA) where: Base-Base interactions energy: -1289.048 where: short stacking energy: -563.995 Base-Backbone interact. energy: 3.202 local terms energy: -618.513872 where: bonds (distance) C4'-P energy: -111.752 bonds (distance) P-C4' energy: -121.529 flat angles C4'-P-C4' energy: -126.843 flat angles P-C4'-P energy: -87.763 tors. eta vs tors. theta energy: -170.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1801.862647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.862647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.862647 (E_RNA) where: Base-Base interactions energy: -1240.453 where: short stacking energy: -510.931 Base-Backbone interact. energy: -0.348 local terms energy: -561.061883 where: bonds (distance) C4'-P energy: -104.873 bonds (distance) P-C4' energy: -115.964 flat angles C4'-P-C4' energy: -118.835 flat angles P-C4'-P energy: -73.418 tors. eta vs tors. theta energy: -147.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1696.429331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.429331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.429331 (E_RNA) where: Base-Base interactions energy: -1180.615 where: short stacking energy: -477.571 Base-Backbone interact. energy: -0.844 local terms energy: -514.970825 where: bonds (distance) C4'-P energy: -94.596 bonds (distance) P-C4' energy: -101.382 flat angles C4'-P-C4' energy: -115.937 flat angles P-C4'-P energy: -68.430 tors. eta vs tors. theta energy: -134.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1657.948143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.948143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.948143 (E_RNA) where: Base-Base interactions energy: -1118.223 where: short stacking energy: -475.516 Base-Backbone interact. energy: -2.808 local terms energy: -536.917259 where: bonds (distance) C4'-P energy: -100.456 bonds (distance) P-C4' energy: -116.650 flat angles C4'-P-C4' energy: -111.380 flat angles P-C4'-P energy: -74.231 tors. eta vs tors. theta energy: -134.200 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: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1533.143768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.143768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.143768 (E_RNA) where: Base-Base interactions energy: -1054.602 where: short stacking energy: -437.011 Base-Backbone interact. energy: 1.978 local terms energy: -480.519765 where: bonds (distance) C4'-P energy: -82.728 bonds (distance) P-C4' energy: -114.803 flat angles C4'-P-C4' energy: -106.137 flat angles P-C4'-P energy: -62.020 tors. eta vs tors. theta energy: -114.831 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: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1407.769996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.769996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.769996 (E_RNA) where: Base-Base interactions energy: -944.957 where: short stacking energy: -402.786 Base-Backbone interact. energy: 5.904 local terms energy: -468.717492 where: bonds (distance) C4'-P energy: -90.803 bonds (distance) P-C4' energy: -112.376 flat angles C4'-P-C4' energy: -98.858 flat angles P-C4'-P energy: -70.881 tors. eta vs tors. theta energy: -95.799 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: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1390.975340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.975340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.975340 (E_RNA) where: Base-Base interactions energy: -960.971 where: short stacking energy: -420.337 Base-Backbone interact. energy: 2.135 local terms energy: -432.139193 where: bonds (distance) C4'-P energy: -66.888 bonds (distance) P-C4' energy: -80.059 flat angles C4'-P-C4' energy: -108.240 flat angles P-C4'-P energy: -76.573 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: 8, replica: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1194.581044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.581044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.581044 (E_RNA) where: Base-Base interactions energy: -794.953 where: short stacking energy: -341.233 Base-Backbone interact. energy: -2.574 local terms energy: -397.053293 where: bonds (distance) C4'-P energy: -89.567 bonds (distance) P-C4' energy: -79.112 flat angles C4'-P-C4' energy: -105.727 flat angles P-C4'-P energy: -51.918 tors. eta vs tors. theta energy: -70.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1072.193499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.193499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.193499 (E_RNA) where: Base-Base interactions energy: -669.689 where: short stacking energy: -293.464 Base-Backbone interact. energy: -2.737 local terms energy: -399.767920 where: bonds (distance) C4'-P energy: -90.192 bonds (distance) P-C4' energy: -91.550 flat angles C4'-P-C4' energy: -93.396 flat angles P-C4'-P energy: -58.141 tors. eta vs tors. theta energy: -66.490 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: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -563.767637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.767637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.767637 (E_RNA) where: Base-Base interactions energy: -274.667 where: short stacking energy: -163.443 Base-Backbone interact. energy: 1.613 local terms energy: -290.714035 where: bonds (distance) C4'-P energy: -91.713 bonds (distance) P-C4' energy: -68.456 flat angles C4'-P-C4' energy: -68.828 flat angles P-C4'-P energy: -62.147 tors. eta vs tors. theta energy: 0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1874.311324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.311324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.311324 (E_RNA) where: Base-Base interactions energy: -1288.541 where: short stacking energy: -578.679 Base-Backbone interact. energy: 4.224 local terms energy: -589.994315 where: bonds (distance) C4'-P energy: -104.707 bonds (distance) P-C4' energy: -102.108 flat angles C4'-P-C4' energy: -127.533 flat angles P-C4'-P energy: -88.058 tors. eta vs tors. theta energy: -167.589 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: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1811.872944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.872944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.872944 (E_RNA) where: Base-Base interactions energy: -1251.562 where: short stacking energy: -543.083 Base-Backbone interact. energy: -1.816 local terms energy: -558.494485 where: bonds (distance) C4'-P energy: -90.235 bonds (distance) P-C4' energy: -106.600 flat angles C4'-P-C4' energy: -121.622 flat angles P-C4'-P energy: -84.386 tors. eta vs tors. theta energy: -155.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1714.753623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.753623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.753623 (E_RNA) where: Base-Base interactions energy: -1183.862 where: short stacking energy: -492.153 Base-Backbone interact. energy: -3.874 local terms energy: -527.017682 where: bonds (distance) C4'-P energy: -94.144 bonds (distance) P-C4' energy: -109.649 flat angles C4'-P-C4' energy: -116.012 flat angles P-C4'-P energy: -69.695 tors. eta vs tors. theta energy: -137.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1653.587480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.587480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.587480 (E_RNA) where: Base-Base interactions energy: -1128.179 where: short stacking energy: -457.672 Base-Backbone interact. energy: -3.322 local terms energy: -522.086137 where: bonds (distance) C4'-P energy: -101.563 bonds (distance) P-C4' energy: -108.746 flat angles C4'-P-C4' energy: -118.430 flat angles P-C4'-P energy: -63.924 tors. eta vs tors. theta energy: -129.423 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: 4 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1572.978350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.978350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.978350 (E_RNA) where: Base-Base interactions energy: -1086.324 where: short stacking energy: -454.370 Base-Backbone interact. energy: -3.223 local terms energy: -483.430448 where: bonds (distance) C4'-P energy: -92.483 bonds (distance) P-C4' energy: -104.937 flat angles C4'-P-C4' energy: -110.900 flat angles P-C4'-P energy: -60.981 tors. eta vs tors. theta energy: -114.129 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: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1444.633009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.633009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.633009 (E_RNA) where: Base-Base interactions energy: -964.366 where: short stacking energy: -397.735 Base-Backbone interact. energy: -0.444 local terms energy: -479.823162 where: bonds (distance) C4'-P energy: -100.174 bonds (distance) P-C4' energy: -102.820 flat angles C4'-P-C4' energy: -113.355 flat angles P-C4'-P energy: -68.477 tors. eta vs tors. theta energy: -94.998 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: 7, replica: 10 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1390.763872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.763872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.763872 (E_RNA) where: Base-Base interactions energy: -950.570 where: short stacking energy: -405.308 Base-Backbone interact. energy: -2.103 local terms energy: -438.090714 where: bonds (distance) C4'-P energy: -87.683 bonds (distance) P-C4' energy: -86.806 flat angles C4'-P-C4' energy: -99.556 flat angles P-C4'-P energy: -54.533 tors. eta vs tors. theta energy: -109.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1246.041616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.041616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.041616 (E_RNA) where: Base-Base interactions energy: -844.856 where: short stacking energy: -347.471 Base-Backbone interact. energy: -2.045 local terms energy: -399.141421 where: bonds (distance) C4'-P energy: -85.030 bonds (distance) P-C4' energy: -89.803 flat angles C4'-P-C4' energy: -88.349 flat angles P-C4'-P energy: -69.149 tors. eta vs tors. theta energy: -66.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1036.835504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.835504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.835504 (E_RNA) where: Base-Base interactions energy: -669.526 where: short stacking energy: -298.375 Base-Backbone interact. energy: -2.663 local terms energy: -364.646471 where: bonds (distance) C4'-P energy: -69.774 bonds (distance) P-C4' energy: -106.166 flat angles C4'-P-C4' energy: -82.839 flat angles P-C4'-P energy: -53.043 tors. eta vs tors. theta energy: -52.825 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: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -532.747361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.747361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.747361 (E_RNA) where: Base-Base interactions energy: -219.717 where: short stacking energy: -126.776 Base-Backbone interact. energy: -3.615 local terms energy: -309.415596 where: bonds (distance) C4'-P energy: -104.984 bonds (distance) P-C4' energy: -90.590 flat angles C4'-P-C4' energy: -85.466 flat angles P-C4'-P energy: -44.636 tors. eta vs tors. theta energy: 16.261 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: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1899.410837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.410837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.410837 (E_RNA) where: Base-Base interactions energy: -1300.164 where: short stacking energy: -572.929 Base-Backbone interact. energy: -0.748 local terms energy: -598.498151 where: bonds (distance) C4'-P energy: -100.671 bonds (distance) P-C4' energy: -119.111 flat angles C4'-P-C4' energy: -129.563 flat angles P-C4'-P energy: -84.139 tors. eta vs tors. theta energy: -165.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1807.295050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.295050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.295050 (E_RNA) where: Base-Base interactions energy: -1265.708 where: short stacking energy: -509.593 Base-Backbone interact. energy: -0.544 local terms energy: -541.043001 where: bonds (distance) C4'-P energy: -110.879 bonds (distance) P-C4' energy: -104.334 flat angles C4'-P-C4' energy: -115.122 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -150.153 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: 1 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1712.086706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.086706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.086706 (E_RNA) where: Base-Base interactions energy: -1182.476 where: short stacking energy: -484.373 Base-Backbone interact. energy: -1.992 local terms energy: -527.618689 where: bonds (distance) C4'-P energy: -104.950 bonds (distance) P-C4' energy: -109.984 flat angles C4'-P-C4' energy: -114.882 flat angles P-C4'-P energy: -66.614 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: 4, replica: 3 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1660.558606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.558606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.558606 (E_RNA) where: Base-Base interactions energy: -1148.987 where: short stacking energy: -490.436 Base-Backbone interact. energy: -2.946 local terms energy: -508.625255 where: bonds (distance) C4'-P energy: -103.841 bonds (distance) P-C4' energy: -101.642 flat angles C4'-P-C4' energy: -109.319 flat angles P-C4'-P energy: -54.305 tors. eta vs tors. theta energy: -139.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1581.848909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.848909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.848909 (E_RNA) where: Base-Base interactions energy: -1073.673 where: short stacking energy: -447.921 Base-Backbone interact. energy: 0.980 local terms energy: -509.155479 where: bonds (distance) C4'-P energy: -87.714 bonds (distance) P-C4' energy: -105.625 flat angles C4'-P-C4' energy: -119.558 flat angles P-C4'-P energy: -74.236 tors. eta vs tors. theta energy: -122.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1462.210502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.210502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.210502 (E_RNA) where: Base-Base interactions energy: -973.157 where: short stacking energy: -416.315 Base-Backbone interact. energy: -4.800 local terms energy: -484.253784 where: bonds (distance) C4'-P energy: -107.232 bonds (distance) P-C4' energy: -91.552 flat angles C4'-P-C4' energy: -97.868 flat angles P-C4'-P energy: -65.514 tors. eta vs tors. theta energy: -122.087 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: 10 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1401.870268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.870268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.870268 (E_RNA) where: Base-Base interactions energy: -955.162 where: short stacking energy: -413.788 Base-Backbone interact. energy: -1.447 local terms energy: -445.260927 where: bonds (distance) C4'-P energy: -92.773 bonds (distance) P-C4' energy: -94.337 flat angles C4'-P-C4' energy: -105.131 flat angles P-C4'-P energy: -53.999 tors. eta vs tors. theta energy: -99.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1230.678646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.678646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.678646 (E_RNA) where: Base-Base interactions energy: -800.162 where: short stacking energy: -327.249 Base-Backbone interact. energy: 0.120 local terms energy: -430.636899 where: bonds (distance) C4'-P energy: -102.997 bonds (distance) P-C4' energy: -89.293 flat angles C4'-P-C4' energy: -93.446 flat angles P-C4'-P energy: -70.822 tors. eta vs tors. theta energy: -74.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1018.614833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.614833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.614833 (E_RNA) where: Base-Base interactions energy: -641.692 where: short stacking energy: -297.300 Base-Backbone interact. energy: -1.745 local terms energy: -375.177691 where: bonds (distance) C4'-P energy: -93.161 bonds (distance) P-C4' energy: -93.642 flat angles C4'-P-C4' energy: -92.176 flat angles P-C4'-P energy: -44.686 tors. eta vs tors. theta energy: -51.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -538.957277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.957277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.957277 (E_RNA) where: Base-Base interactions energy: -229.297 where: short stacking energy: -156.441 Base-Backbone interact. energy: -1.586 local terms energy: -308.074094 where: bonds (distance) C4'-P energy: -96.707 bonds (distance) P-C4' energy: -77.718 flat angles C4'-P-C4' energy: -75.633 flat angles P-C4'-P energy: -50.992 tors. eta vs tors. theta energy: -7.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1880.563649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.563649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.563649 (E_RNA) where: Base-Base interactions energy: -1299.944 where: short stacking energy: -559.596 Base-Backbone interact. energy: -5.946 local terms energy: -574.674093 where: bonds (distance) C4'-P energy: -108.988 bonds (distance) P-C4' energy: -108.005 flat angles C4'-P-C4' energy: -113.899 flat angles P-C4'-P energy: -79.167 tors. eta vs tors. theta energy: -164.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1799.454834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.454834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.454834 (E_RNA) where: Base-Base interactions energy: -1223.180 where: short stacking energy: -530.926 Base-Backbone interact. energy: -0.630 local terms energy: -575.644739 where: bonds (distance) C4'-P energy: -110.297 bonds (distance) P-C4' energy: -104.303 flat angles C4'-P-C4' energy: -113.131 flat angles P-C4'-P energy: -87.234 tors. eta vs tors. theta energy: -160.680 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: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1735.202568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.202568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.202568 (E_RNA) where: Base-Base interactions energy: -1179.218 where: short stacking energy: -498.348 Base-Backbone interact. energy: 3.318 local terms energy: -559.302451 where: bonds (distance) C4'-P energy: -107.747 bonds (distance) P-C4' energy: -104.741 flat angles C4'-P-C4' energy: -123.838 flat angles P-C4'-P energy: -82.829 tors. eta vs tors. theta energy: -140.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1664.698211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.698211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.698211 (E_RNA) where: Base-Base interactions energy: -1155.342 where: short stacking energy: -481.537 Base-Backbone interact. energy: -3.739 local terms energy: -505.616511 where: bonds (distance) C4'-P energy: -94.689 bonds (distance) P-C4' energy: -97.618 flat angles C4'-P-C4' energy: -104.225 flat angles P-C4'-P energy: -77.664 tors. eta vs tors. theta energy: -131.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1553.317317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.317317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.317317 (E_RNA) where: Base-Base interactions energy: -1058.181 where: short stacking energy: -458.263 Base-Backbone interact. energy: -2.259 local terms energy: -492.876680 where: bonds (distance) C4'-P energy: -82.295 bonds (distance) P-C4' energy: -106.721 flat angles C4'-P-C4' energy: -107.884 flat angles P-C4'-P energy: -78.226 tors. eta vs tors. theta energy: -117.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1492.609261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.609261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.609261 (E_RNA) where: Base-Base interactions energy: -1023.973 where: short stacking energy: -447.175 Base-Backbone interact. energy: -0.895 local terms energy: -467.741444 where: bonds (distance) C4'-P energy: -100.457 bonds (distance) P-C4' energy: -100.220 flat angles C4'-P-C4' energy: -106.965 flat angles P-C4'-P energy: -54.770 tors. eta vs tors. theta energy: -105.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1387.182159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.182159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.182159 (E_RNA) where: Base-Base interactions energy: -970.951 where: short stacking energy: -404.233 Base-Backbone interact. energy: -2.988 local terms energy: -413.243013 where: bonds (distance) C4'-P energy: -83.067 bonds (distance) P-C4' energy: -77.724 flat angles C4'-P-C4' energy: -101.366 flat angles P-C4'-P energy: -58.345 tors. eta vs tors. theta energy: -92.742 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: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1228.861666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.861666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.861666 (E_RNA) where: Base-Base interactions energy: -833.336 where: short stacking energy: -357.931 Base-Backbone interact. energy: -2.202 local terms energy: -393.324336 where: bonds (distance) C4'-P energy: -77.814 bonds (distance) P-C4' energy: -93.941 flat angles C4'-P-C4' energy: -99.667 flat angles P-C4'-P energy: -52.689 tors. eta vs tors. theta energy: -69.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1031.790042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.790042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.790042 (E_RNA) where: Base-Base interactions energy: -651.942 where: short stacking energy: -302.544 Base-Backbone interact. energy: 4.550 local terms energy: -384.397904 where: bonds (distance) C4'-P energy: -97.963 bonds (distance) P-C4' energy: -98.151 flat angles C4'-P-C4' energy: -79.130 flat angles P-C4'-P energy: -46.208 tors. eta vs tors. theta energy: -62.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -509.408947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.408947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.408947 (E_RNA) where: Base-Base interactions energy: -233.140 where: short stacking energy: -141.916 Base-Backbone interact. energy: -0.780 local terms energy: -275.488764 where: bonds (distance) C4'-P energy: -96.900 bonds (distance) P-C4' energy: -71.048 flat angles C4'-P-C4' energy: -74.633 flat angles P-C4'-P energy: -43.259 tors. eta vs tors. theta energy: 10.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1874.095974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.095974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.095974 (E_RNA) where: Base-Base interactions energy: -1283.333 where: short stacking energy: -564.419 Base-Backbone interact. energy: -4.262 local terms energy: -586.500551 where: bonds (distance) C4'-P energy: -100.582 bonds (distance) P-C4' energy: -112.855 flat angles C4'-P-C4' energy: -115.205 flat angles P-C4'-P energy: -91.499 tors. eta vs tors. theta energy: -166.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1844.049353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.049353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.049353 (E_RNA) where: Base-Base interactions energy: -1250.153 where: short stacking energy: -556.051 Base-Backbone interact. energy: 2.203 local terms energy: -596.099188 where: bonds (distance) C4'-P energy: -117.100 bonds (distance) P-C4' energy: -111.300 flat angles C4'-P-C4' energy: -121.155 flat angles P-C4'-P energy: -85.480 tors. eta vs tors. theta energy: -161.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1711.255015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.255015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.255015 (E_RNA) where: Base-Base interactions energy: -1172.967 where: short stacking energy: -519.543 Base-Backbone interact. energy: -0.280 local terms energy: -538.007962 where: bonds (distance) C4'-P energy: -86.029 bonds (distance) P-C4' energy: -109.643 flat angles C4'-P-C4' energy: -113.938 flat angles P-C4'-P energy: -77.467 tors. eta vs tors. theta energy: -150.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1643.394870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.394870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.394870 (E_RNA) where: Base-Base interactions energy: -1122.657 where: short stacking energy: -457.853 Base-Backbone interact. energy: -2.072 local terms energy: -518.665968 where: bonds (distance) C4'-P energy: -100.672 bonds (distance) P-C4' energy: -103.870 flat angles C4'-P-C4' energy: -109.428 flat angles P-C4'-P energy: -75.434 tors. eta vs tors. theta energy: -129.262 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: 4 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1516.330022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.330022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.330022 (E_RNA) where: Base-Base interactions energy: -1017.388 where: short stacking energy: -435.425 Base-Backbone interact. energy: -3.578 local terms energy: -495.364114 where: bonds (distance) C4'-P energy: -103.465 bonds (distance) P-C4' energy: -88.080 flat angles C4'-P-C4' energy: -113.511 flat angles P-C4'-P energy: -79.746 tors. eta vs tors. theta energy: -110.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1513.548703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.548703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.548703 (E_RNA) where: Base-Base interactions energy: -1013.036 where: short stacking energy: -441.262 Base-Backbone interact. energy: -0.213 local terms energy: -500.300080 where: bonds (distance) C4'-P energy: -99.614 bonds (distance) P-C4' energy: -105.486 flat angles C4'-P-C4' energy: -110.232 flat angles P-C4'-P energy: -67.286 tors. eta vs tors. theta energy: -117.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1321.207682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.207682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.207682 (E_RNA) where: Base-Base interactions energy: -894.775 where: short stacking energy: -380.595 Base-Backbone interact. energy: -2.235 local terms energy: -424.198271 where: bonds (distance) C4'-P energy: -85.525 bonds (distance) P-C4' energy: -88.398 flat angles C4'-P-C4' energy: -89.820 flat angles P-C4'-P energy: -70.546 tors. eta vs tors. theta energy: -89.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1255.999389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.999389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.999389 (E_RNA) where: Base-Base interactions energy: -831.115 where: short stacking energy: -358.906 Base-Backbone interact. energy: -1.411 local terms energy: -423.473906 where: bonds (distance) C4'-P energy: -102.473 bonds (distance) P-C4' energy: -84.689 flat angles C4'-P-C4' energy: -81.772 flat angles P-C4'-P energy: -72.409 tors. eta vs tors. theta energy: -82.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1031.951135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.951135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.951135 (E_RNA) where: Base-Base interactions energy: -645.298 where: short stacking energy: -297.426 Base-Backbone interact. energy: 4.836 local terms energy: -391.489035 where: bonds (distance) C4'-P energy: -86.028 bonds (distance) P-C4' energy: -89.383 flat angles C4'-P-C4' energy: -95.289 flat angles P-C4'-P energy: -61.890 tors. eta vs tors. theta energy: -58.898 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: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -550.598865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.598865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.598865 (E_RNA) where: Base-Base interactions energy: -274.910 where: short stacking energy: -163.698 Base-Backbone interact. energy: 3.542 local terms energy: -279.230965 where: bonds (distance) C4'-P energy: -83.075 bonds (distance) P-C4' energy: -83.983 flat angles C4'-P-C4' energy: -84.185 flat angles P-C4'-P energy: -39.345 tors. eta vs tors. theta energy: 11.357 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: 5 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1878.220746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.220746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.220746 (E_RNA) where: Base-Base interactions energy: -1293.409 where: short stacking energy: -553.065 Base-Backbone interact. energy: -2.218 local terms energy: -582.594209 where: bonds (distance) C4'-P energy: -103.998 bonds (distance) P-C4' energy: -110.454 flat angles C4'-P-C4' energy: -111.230 flat angles P-C4'-P energy: -89.077 tors. eta vs tors. theta energy: -167.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1833.340447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.340447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.340447 (E_RNA) where: Base-Base interactions energy: -1250.510 where: short stacking energy: -535.072 Base-Backbone interact. energy: 1.939 local terms energy: -584.768749 where: bonds (distance) C4'-P energy: -110.764 bonds (distance) P-C4' energy: -115.365 flat angles C4'-P-C4' energy: -123.599 flat angles P-C4'-P energy: -78.165 tors. eta vs tors. theta energy: -156.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1694.382794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.382794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.382794 (E_RNA) where: Base-Base interactions energy: -1154.442 where: short stacking energy: -471.949 Base-Backbone interact. energy: -3.850 local terms energy: -536.090100 where: bonds (distance) C4'-P energy: -109.638 bonds (distance) P-C4' energy: -93.248 flat angles C4'-P-C4' energy: -118.774 flat angles P-C4'-P energy: -77.930 tors. eta vs tors. theta energy: -136.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1694.865980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.865980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.865980 (E_RNA) where: Base-Base interactions energy: -1144.369 where: short stacking energy: -492.546 Base-Backbone interact. energy: -1.390 local terms energy: -549.106916 where: bonds (distance) C4'-P energy: -90.530 bonds (distance) P-C4' energy: -113.391 flat angles C4'-P-C4' energy: -116.159 flat angles P-C4'-P energy: -83.194 tors. eta vs tors. theta energy: -145.833 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: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1546.907839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.907839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.907839 (E_RNA) where: Base-Base interactions energy: -1046.350 where: short stacking energy: -437.853 Base-Backbone interact. energy: -1.001 local terms energy: -499.556868 where: bonds (distance) C4'-P energy: -92.840 bonds (distance) P-C4' energy: -106.698 flat angles C4'-P-C4' energy: -112.404 flat angles P-C4'-P energy: -76.768 tors. eta vs tors. theta energy: -110.847 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: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1547.768582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.768582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.768582 (E_RNA) where: Base-Base interactions energy: -1053.475 where: short stacking energy: -453.013 Base-Backbone interact. energy: -0.599 local terms energy: -493.694611 where: bonds (distance) C4'-P energy: -89.511 bonds (distance) P-C4' energy: -108.961 flat angles C4'-P-C4' energy: -109.186 flat angles P-C4'-P energy: -69.358 tors. eta vs tors. theta energy: -116.679 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: 169 Temperature: 1.200000 Total energy: -1335.756095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.756095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.756095 (E_RNA) where: Base-Base interactions energy: -886.745 where: short stacking energy: -379.610 Base-Backbone interact. energy: -0.318 local terms energy: -448.693032 where: bonds (distance) C4'-P energy: -92.394 bonds (distance) P-C4' energy: -80.911 flat angles C4'-P-C4' energy: -103.030 flat angles P-C4'-P energy: -71.639 tors. eta vs tors. theta energy: -100.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1240.473589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.473589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.473589 (E_RNA) where: Base-Base interactions energy: -827.117 where: short stacking energy: -365.693 Base-Backbone interact. energy: 5.393 local terms energy: -418.749905 where: bonds (distance) C4'-P energy: -94.676 bonds (distance) P-C4' energy: -80.491 flat angles C4'-P-C4' energy: -98.027 flat angles P-C4'-P energy: -64.852 tors. eta vs tors. theta energy: -80.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1037.075596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.075596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.075596 (E_RNA) where: Base-Base interactions energy: -673.180 where: short stacking energy: -297.423 Base-Backbone interact. energy: 2.322 local terms energy: -366.217385 where: bonds (distance) C4'-P energy: -79.127 bonds (distance) P-C4' energy: -85.643 flat angles C4'-P-C4' energy: -88.720 flat angles P-C4'-P energy: -63.690 tors. eta vs tors. theta energy: -49.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -557.193327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.193327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.193327 (E_RNA) where: Base-Base interactions energy: -273.063 where: short stacking energy: -168.420 Base-Backbone interact. energy: -1.265 local terms energy: -282.864864 where: bonds (distance) C4'-P energy: -96.401 bonds (distance) P-C4' energy: -72.781 flat angles C4'-P-C4' energy: -81.086 flat angles P-C4'-P energy: -33.857 tors. eta vs tors. theta energy: 1.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1877.849064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.849064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.849064 (E_RNA) where: Base-Base interactions energy: -1305.055 where: short stacking energy: -574.221 Base-Backbone interact. energy: 4.868 local terms energy: -577.662318 where: bonds (distance) C4'-P energy: -101.581 bonds (distance) P-C4' energy: -115.854 flat angles C4'-P-C4' energy: -120.349 flat angles P-C4'-P energy: -80.935 tors. eta vs tors. theta energy: -158.943 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: 170 Temperature: 0.950000 Total energy: -1851.711870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.711870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.711870 (E_RNA) where: Base-Base interactions energy: -1291.326 where: short stacking energy: -556.244 Base-Backbone interact. energy: -1.972 local terms energy: -558.413873 where: bonds (distance) C4'-P energy: -106.559 bonds (distance) P-C4' energy: -99.865 flat angles C4'-P-C4' energy: -115.557 flat angles P-C4'-P energy: -75.078 tors. eta vs tors. theta energy: -161.354 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: 1 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1716.465730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.465730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.465730 (E_RNA) where: Base-Base interactions energy: -1170.889 where: short stacking energy: -477.183 Base-Backbone interact. energy: -3.765 local terms energy: -541.811718 where: bonds (distance) C4'-P energy: -101.162 bonds (distance) P-C4' energy: -106.469 flat angles C4'-P-C4' energy: -118.453 flat angles P-C4'-P energy: -75.469 tors. eta vs tors. theta energy: -140.259 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: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1658.625128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.625128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.625128 (E_RNA) where: Base-Base interactions energy: -1112.091 where: short stacking energy: -482.567 Base-Backbone interact. energy: -4.167 local terms energy: -542.367031 where: bonds (distance) C4'-P energy: -97.421 bonds (distance) P-C4' energy: -109.010 flat angles C4'-P-C4' energy: -114.478 flat angles P-C4'-P energy: -67.786 tors. eta vs tors. theta energy: -153.673 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: 4 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1571.227550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.227550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.227550 (E_RNA) where: Base-Base interactions energy: -1075.349 where: short stacking energy: -459.544 Base-Backbone interact. energy: -2.345 local terms energy: -493.533323 where: bonds (distance) C4'-P energy: -97.231 bonds (distance) P-C4' energy: -90.217 flat angles C4'-P-C4' energy: -111.609 flat angles P-C4'-P energy: -64.481 tors. eta vs tors. theta energy: -129.995 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: 6, replica: 10 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1514.586695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.586695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.586695 (E_RNA) where: Base-Base interactions energy: -1018.616 where: short stacking energy: -414.129 Base-Backbone interact. energy: -0.973 local terms energy: -494.997874 where: bonds (distance) C4'-P energy: -92.698 bonds (distance) P-C4' energy: -102.407 flat angles C4'-P-C4' energy: -97.295 flat angles P-C4'-P energy: -65.794 tors. eta vs tors. theta energy: -136.804 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: 7, replica: 2 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1392.207217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.207217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.207217 (E_RNA) where: Base-Base interactions energy: -947.484 where: short stacking energy: -398.251 Base-Backbone interact. energy: 1.682 local terms energy: -446.405303 where: bonds (distance) C4'-P energy: -90.810 bonds (distance) P-C4' energy: -97.403 flat angles C4'-P-C4' energy: -100.726 flat angles P-C4'-P energy: -65.483 tors. eta vs tors. theta energy: -91.983 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: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1269.470469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.470469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.470469 (E_RNA) where: Base-Base interactions energy: -843.514 where: short stacking energy: -360.469 Base-Backbone interact. energy: -2.024 local terms energy: -423.932261 where: bonds (distance) C4'-P energy: -93.699 bonds (distance) P-C4' energy: -86.465 flat angles C4'-P-C4' energy: -103.250 flat angles P-C4'-P energy: -58.463 tors. eta vs tors. theta energy: -82.055 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: 9 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1066.851227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.851227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.851227 (E_RNA) where: Base-Base interactions energy: -699.682 where: short stacking energy: -304.431 Base-Backbone interact. energy: 4.171 local terms energy: -371.340296 where: bonds (distance) C4'-P energy: -83.782 bonds (distance) P-C4' energy: -86.970 flat angles C4'-P-C4' energy: -79.982 flat angles P-C4'-P energy: -58.236 tors. eta vs tors. theta energy: -62.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -512.630196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.630196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.630196 (E_RNA) where: Base-Base interactions energy: -234.355 where: short stacking energy: -137.078 Base-Backbone interact. energy: -2.378 local terms energy: -275.897443 where: bonds (distance) C4'-P energy: -78.376 bonds (distance) P-C4' energy: -99.369 flat angles C4'-P-C4' energy: -75.804 flat angles P-C4'-P energy: -28.055 tors. eta vs tors. theta energy: 5.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1869.999032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.999032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.999032 (E_RNA) where: Base-Base interactions energy: -1288.778 where: short stacking energy: -559.528 Base-Backbone interact. energy: 1.049 local terms energy: -582.269549 where: bonds (distance) C4'-P energy: -108.661 bonds (distance) P-C4' energy: -104.038 flat angles C4'-P-C4' energy: -125.799 flat angles P-C4'-P energy: -79.029 tors. eta vs tors. theta energy: -164.743 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: 2, replica: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1843.668836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.668836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.668836 (E_RNA) where: Base-Base interactions energy: -1278.646 where: short stacking energy: -537.278 Base-Backbone interact. energy: 0.026 local terms energy: -565.048889 where: bonds (distance) C4'-P energy: -108.400 bonds (distance) P-C4' energy: -111.804 flat angles C4'-P-C4' energy: -119.766 flat angles P-C4'-P energy: -67.566 tors. eta vs tors. theta energy: -157.513 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: 1 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1739.232355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.232355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.232355 (E_RNA) where: Base-Base interactions energy: -1179.413 where: short stacking energy: -507.395 Base-Backbone interact. energy: -3.245 local terms energy: -556.575303 where: bonds (distance) C4'-P energy: -107.621 bonds (distance) P-C4' energy: -93.790 flat angles C4'-P-C4' energy: -125.061 flat angles P-C4'-P energy: -80.245 tors. eta vs tors. theta energy: -149.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1674.997477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.997477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.997477 (E_RNA) where: Base-Base interactions energy: -1131.887 where: short stacking energy: -470.576 Base-Backbone interact. energy: -2.105 local terms energy: -541.005323 where: bonds (distance) C4'-P energy: -98.875 bonds (distance) P-C4' energy: -107.390 flat angles C4'-P-C4' energy: -111.307 flat angles P-C4'-P energy: -77.173 tors. eta vs tors. theta energy: -146.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1566.257151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.257151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.257151 (E_RNA) where: Base-Base interactions energy: -1080.107 where: short stacking energy: -446.897 Base-Backbone interact. energy: -3.999 local terms energy: -482.151440 where: bonds (distance) C4'-P energy: -95.443 bonds (distance) P-C4' energy: -88.613 flat angles C4'-P-C4' energy: -114.172 flat angles P-C4'-P energy: -63.085 tors. eta vs tors. theta energy: -120.838 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: 6, replica: 10 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1542.081364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.081364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.081364 (E_RNA) where: Base-Base interactions energy: -1041.840 where: short stacking energy: -444.404 Base-Backbone interact. energy: -0.840 local terms energy: -499.401292 where: bonds (distance) C4'-P energy: -92.437 bonds (distance) P-C4' energy: -97.793 flat angles C4'-P-C4' energy: -102.719 flat angles P-C4'-P energy: -78.006 tors. eta vs tors. theta energy: -128.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1366.909538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.909538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.909538 (E_RNA) where: Base-Base interactions energy: -895.865 where: short stacking energy: -395.280 Base-Backbone interact. energy: -1.976 local terms energy: -469.068763 where: bonds (distance) C4'-P energy: -84.109 bonds (distance) P-C4' energy: -100.404 flat angles C4'-P-C4' energy: -115.606 flat angles P-C4'-P energy: -75.267 tors. eta vs tors. theta energy: -93.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1272.308603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.308603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.308603 (E_RNA) where: Base-Base interactions energy: -847.997 where: short stacking energy: -369.948 Base-Backbone interact. energy: 2.473 local terms energy: -426.784858 where: bonds (distance) C4'-P energy: -85.151 bonds (distance) P-C4' energy: -91.137 flat angles C4'-P-C4' energy: -103.136 flat angles P-C4'-P energy: -60.672 tors. eta vs tors. theta energy: -86.689 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: 9 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1155.427359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.427359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.427359 (E_RNA) where: Base-Base interactions energy: -756.485 where: short stacking energy: -327.636 Base-Backbone interact. energy: -0.097 local terms energy: -398.845504 where: bonds (distance) C4'-P energy: -86.112 bonds (distance) P-C4' energy: -77.681 flat angles C4'-P-C4' energy: -99.890 flat angles P-C4'-P energy: -60.034 tors. eta vs tors. theta energy: -75.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -583.656981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.656981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.656981 (E_RNA) where: Base-Base interactions energy: -271.334 where: short stacking energy: -151.259 Base-Backbone interact. energy: 1.572 local terms energy: -313.895268 where: bonds (distance) C4'-P energy: -87.690 bonds (distance) P-C4' energy: -101.634 flat angles C4'-P-C4' energy: -100.093 flat angles P-C4'-P energy: -35.700 tors. eta vs tors. theta energy: 11.222 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: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1886.828137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.828137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.828137 (E_RNA) where: Base-Base interactions energy: -1292.470 where: short stacking energy: -558.417 Base-Backbone interact. energy: -1.032 local terms energy: -593.326001 where: bonds (distance) C4'-P energy: -113.011 bonds (distance) P-C4' energy: -103.608 flat angles C4'-P-C4' energy: -119.950 flat angles P-C4'-P energy: -87.615 tors. eta vs tors. theta energy: -169.142 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: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1826.386117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.386117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.386117 (E_RNA) where: Base-Base interactions energy: -1248.598 where: short stacking energy: -515.894 Base-Backbone interact. energy: -1.171 local terms energy: -576.617535 where: bonds (distance) C4'-P energy: -112.546 bonds (distance) P-C4' energy: -102.096 flat angles C4'-P-C4' energy: -117.730 flat angles P-C4'-P energy: -88.745 tors. eta vs tors. theta energy: -155.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1732.926377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.926377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.926377 (E_RNA) where: Base-Base interactions energy: -1194.198 where: short stacking energy: -507.350 Base-Backbone interact. energy: -2.706 local terms energy: -536.022026 where: bonds (distance) C4'-P energy: -99.177 bonds (distance) P-C4' energy: -101.381 flat angles C4'-P-C4' energy: -122.256 flat angles P-C4'-P energy: -68.687 tors. eta vs tors. theta energy: -144.521 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: 4, replica: 1 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1668.535286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.535286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.535286 (E_RNA) where: Base-Base interactions energy: -1150.298 where: short stacking energy: -483.421 Base-Backbone interact. energy: -2.002 local terms energy: -516.235455 where: bonds (distance) C4'-P energy: -109.022 bonds (distance) P-C4' energy: -100.778 flat angles C4'-P-C4' energy: -96.512 flat angles P-C4'-P energy: -78.755 tors. eta vs tors. theta energy: -131.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1580.193834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.193834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.193834 (E_RNA) where: Base-Base interactions energy: -1072.228 where: short stacking energy: -446.987 Base-Backbone interact. energy: -0.526 local terms energy: -507.439648 where: bonds (distance) C4'-P energy: -91.961 bonds (distance) P-C4' energy: -101.984 flat angles C4'-P-C4' energy: -119.632 flat angles P-C4'-P energy: -76.554 tors. eta vs tors. theta energy: -117.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1506.634962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.634962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.634962 (E_RNA) where: Base-Base interactions energy: -1027.944 where: short stacking energy: -442.357 Base-Backbone interact. energy: -0.821 local terms energy: -477.869777 where: bonds (distance) C4'-P energy: -94.932 bonds (distance) P-C4' energy: -88.922 flat angles C4'-P-C4' energy: -111.490 flat angles P-C4'-P energy: -62.303 tors. eta vs tors. theta energy: -120.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1354.393760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.393760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.393760 (E_RNA) where: Base-Base interactions energy: -925.748 where: short stacking energy: -387.912 Base-Backbone interact. energy: 1.186 local terms energy: -429.832137 where: bonds (distance) C4'-P energy: -75.255 bonds (distance) P-C4' energy: -98.071 flat angles C4'-P-C4' energy: -113.080 flat angles P-C4'-P energy: -62.632 tors. eta vs tors. theta energy: -80.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1275.704482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.704482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.704482 (E_RNA) where: Base-Base interactions energy: -832.864 where: short stacking energy: -353.404 Base-Backbone interact. energy: -2.322 local terms energy: -440.517899 where: bonds (distance) C4'-P energy: -100.832 bonds (distance) P-C4' energy: -95.076 flat angles C4'-P-C4' energy: -100.744 flat angles P-C4'-P energy: -69.467 tors. eta vs tors. theta energy: -74.399 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: 172 Temperature: 1.300000 Total energy: -1111.790464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.790464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.790464 (E_RNA) where: Base-Base interactions energy: -738.146 where: short stacking energy: -329.466 Base-Backbone interact. energy: -1.535 local terms energy: -372.109231 where: bonds (distance) C4'-P energy: -77.282 bonds (distance) P-C4' energy: -92.426 flat angles C4'-P-C4' energy: -91.161 flat angles P-C4'-P energy: -51.967 tors. eta vs tors. theta energy: -59.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -576.804673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.804673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.804673 (E_RNA) where: Base-Base interactions energy: -276.331 where: short stacking energy: -170.937 Base-Backbone interact. energy: -2.233 local terms energy: -298.241277 where: bonds (distance) C4'-P energy: -98.079 bonds (distance) P-C4' energy: -88.484 flat angles C4'-P-C4' energy: -57.818 flat angles P-C4'-P energy: -54.301 tors. eta vs tors. theta energy: 0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1912.161918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.161918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.161918 (E_RNA) where: Base-Base interactions energy: -1316.167 where: short stacking energy: -572.524 Base-Backbone interact. energy: 3.039 local terms energy: -599.033997 where: bonds (distance) C4'-P energy: -113.613 bonds (distance) P-C4' energy: -112.536 flat angles C4'-P-C4' energy: -118.954 flat angles P-C4'-P energy: -82.444 tors. eta vs tors. theta energy: -171.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1836.937696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.937696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.937696 (E_RNA) where: Base-Base interactions energy: -1252.532 where: short stacking energy: -558.224 Base-Backbone interact. energy: -2.697 local terms energy: -581.709256 where: bonds (distance) C4'-P energy: -110.821 bonds (distance) P-C4' energy: -108.328 flat angles C4'-P-C4' energy: -116.812 flat angles P-C4'-P energy: -87.567 tors. eta vs tors. theta energy: -158.182 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: 3 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1727.906918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.906918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.906918 (E_RNA) where: Base-Base interactions energy: -1177.626 where: short stacking energy: -492.423 Base-Backbone interact. energy: 2.324 local terms energy: -552.604386 where: bonds (distance) C4'-P energy: -104.658 bonds (distance) P-C4' energy: -105.092 flat angles C4'-P-C4' energy: -115.095 flat angles P-C4'-P energy: -80.765 tors. eta vs tors. theta energy: -146.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1616.104523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.104523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.104523 (E_RNA) where: Base-Base interactions energy: -1087.427 where: short stacking energy: -436.833 Base-Backbone interact. energy: 0.954 local terms energy: -529.631759 where: bonds (distance) C4'-P energy: -94.643 bonds (distance) P-C4' energy: -106.683 flat angles C4'-P-C4' energy: -110.083 flat angles P-C4'-P energy: -89.012 tors. eta vs tors. theta energy: -129.210 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: 5, replica: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1581.923059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.923059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.923059 (E_RNA) where: Base-Base interactions energy: -1072.865 where: short stacking energy: -436.394 Base-Backbone interact. energy: -0.331 local terms energy: -508.726861 where: bonds (distance) C4'-P energy: -106.685 bonds (distance) P-C4' energy: -91.427 flat angles C4'-P-C4' energy: -115.356 flat angles P-C4'-P energy: -72.877 tors. eta vs tors. theta energy: -122.383 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: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1487.533837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.533837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.533837 (E_RNA) where: Base-Base interactions energy: -1032.330 where: short stacking energy: -424.275 Base-Backbone interact. energy: 4.126 local terms energy: -459.329260 where: bonds (distance) C4'-P energy: -108.952 bonds (distance) P-C4' energy: -92.736 flat angles C4'-P-C4' energy: -98.202 flat angles P-C4'-P energy: -59.803 tors. eta vs tors. theta energy: -99.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1402.538096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.538096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.538096 (E_RNA) where: Base-Base interactions energy: -975.638 where: short stacking energy: -428.824 Base-Backbone interact. energy: -0.898 local terms energy: -426.001617 where: bonds (distance) C4'-P energy: -86.962 bonds (distance) P-C4' energy: -80.172 flat angles C4'-P-C4' energy: -103.615 flat angles P-C4'-P energy: -50.165 tors. eta vs tors. theta energy: -105.088 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: 173 Temperature: 1.250000 Total energy: -1229.828581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.828581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.828581 (E_RNA) where: Base-Base interactions energy: -811.817 where: short stacking energy: -319.410 Base-Backbone interact. energy: -1.387 local terms energy: -416.624965 where: bonds (distance) C4'-P energy: -90.912 bonds (distance) P-C4' energy: -94.286 flat angles C4'-P-C4' energy: -93.344 flat angles P-C4'-P energy: -44.587 tors. eta vs tors. theta energy: -93.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1050.312760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.312760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.312760 (E_RNA) where: Base-Base interactions energy: -668.335 where: short stacking energy: -286.359 Base-Backbone interact. energy: 1.395 local terms energy: -383.372123 where: bonds (distance) C4'-P energy: -88.265 bonds (distance) P-C4' energy: -87.723 flat angles C4'-P-C4' energy: -99.081 flat angles P-C4'-P energy: -59.161 tors. eta vs tors. theta energy: -49.141 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: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -539.756044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.756044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.756044 (E_RNA) where: Base-Base interactions energy: -239.024 where: short stacking energy: -130.558 Base-Backbone interact. energy: -4.109 local terms energy: -296.622737 where: bonds (distance) C4'-P energy: -82.103 bonds (distance) P-C4' energy: -90.731 flat angles C4'-P-C4' energy: -89.599 flat angles P-C4'-P energy: -45.604 tors. eta vs tors. theta energy: 11.415 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: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1895.491412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.491412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.491412 (E_RNA) where: Base-Base interactions energy: -1301.273 where: short stacking energy: -568.383 Base-Backbone interact. energy: 0.769 local terms energy: -594.987392 where: bonds (distance) C4'-P energy: -102.861 bonds (distance) P-C4' energy: -118.226 flat angles C4'-P-C4' energy: -121.440 flat angles P-C4'-P energy: -80.767 tors. eta vs tors. theta energy: -171.692 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: 174 Temperature: 0.950000 Total energy: -1822.966770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.966770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.966770 (E_RNA) where: Base-Base interactions energy: -1229.011 where: short stacking energy: -532.197 Base-Backbone interact. energy: -0.068 local terms energy: -593.887265 where: bonds (distance) C4'-P energy: -122.781 bonds (distance) P-C4' energy: -110.686 flat angles C4'-P-C4' energy: -126.629 flat angles P-C4'-P energy: -72.391 tors. eta vs tors. theta energy: -161.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1752.270010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.270010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.270010 (E_RNA) where: Base-Base interactions energy: -1206.238 where: short stacking energy: -531.066 Base-Backbone interact. energy: -0.294 local terms energy: -545.738330 where: bonds (distance) C4'-P energy: -96.406 bonds (distance) P-C4' energy: -106.613 flat angles C4'-P-C4' energy: -118.323 flat angles P-C4'-P energy: -79.614 tors. eta vs tors. theta energy: -144.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1624.055182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.055182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.055182 (E_RNA) where: Base-Base interactions energy: -1115.318 where: short stacking energy: -473.677 Base-Backbone interact. energy: -0.451 local terms energy: -508.286878 where: bonds (distance) C4'-P energy: -94.896 bonds (distance) P-C4' energy: -104.367 flat angles C4'-P-C4' energy: -106.328 flat angles P-C4'-P energy: -65.375 tors. eta vs tors. theta energy: -137.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1574.808168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.808168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.808168 (E_RNA) where: Base-Base interactions energy: -1078.347 where: short stacking energy: -479.703 Base-Backbone interact. energy: 0.681 local terms energy: -497.141573 where: bonds (distance) C4'-P energy: -84.125 bonds (distance) P-C4' energy: -100.979 flat angles C4'-P-C4' energy: -106.900 flat angles P-C4'-P energy: -68.335 tors. eta vs tors. theta energy: -136.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1524.356886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.356886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.356886 (E_RNA) where: Base-Base interactions energy: -1043.618 where: short stacking energy: -474.364 Base-Backbone interact. energy: 0.604 local terms energy: -481.343169 where: bonds (distance) C4'-P energy: -93.062 bonds (distance) P-C4' energy: -96.693 flat angles C4'-P-C4' energy: -95.714 flat angles P-C4'-P energy: -81.177 tors. eta vs tors. theta energy: -114.696 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: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1398.950714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.950714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.950714 (E_RNA) where: Base-Base interactions energy: -952.035 where: short stacking energy: -402.058 Base-Backbone interact. energy: -0.371 local terms energy: -446.544284 where: bonds (distance) C4'-P energy: -95.640 bonds (distance) P-C4' energy: -84.646 flat angles C4'-P-C4' energy: -102.861 flat angles P-C4'-P energy: -67.488 tors. eta vs tors. theta energy: -95.909 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: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1231.347731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.347731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.347731 (E_RNA) where: Base-Base interactions energy: -841.424 where: short stacking energy: -338.031 Base-Backbone interact. energy: -0.726 local terms energy: -389.197291 where: bonds (distance) C4'-P energy: -76.835 bonds (distance) P-C4' energy: -86.672 flat angles C4'-P-C4' energy: -85.070 flat angles P-C4'-P energy: -58.570 tors. eta vs tors. theta energy: -82.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1057.049971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.049971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.049971 (E_RNA) where: Base-Base interactions energy: -666.871 where: short stacking energy: -305.232 Base-Backbone interact. energy: 4.681 local terms energy: -394.859800 where: bonds (distance) C4'-P energy: -85.787 bonds (distance) P-C4' energy: -85.764 flat angles C4'-P-C4' energy: -103.818 flat angles P-C4'-P energy: -64.747 tors. eta vs tors. theta energy: -54.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -586.083702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.083702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.083702 (E_RNA) where: Base-Base interactions energy: -310.841 where: short stacking energy: -164.293 Base-Backbone interact. energy: -0.124 local terms energy: -275.119160 where: bonds (distance) C4'-P energy: -72.488 bonds (distance) P-C4' energy: -97.636 flat angles C4'-P-C4' energy: -68.517 flat angles P-C4'-P energy: -46.635 tors. eta vs tors. theta energy: 10.156 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: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1895.924674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.924674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.924674 (E_RNA) where: Base-Base interactions energy: -1293.794 where: short stacking energy: -566.110 Base-Backbone interact. energy: -2.344 local terms energy: -599.786830 where: bonds (distance) C4'-P energy: -98.483 bonds (distance) P-C4' energy: -104.469 flat angles C4'-P-C4' energy: -127.427 flat angles P-C4'-P energy: -97.099 tors. eta vs tors. theta energy: -172.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1815.734878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.734878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.734878 (E_RNA) where: Base-Base interactions energy: -1250.036 where: short stacking energy: -547.318 Base-Backbone interact. energy: -4.319 local terms energy: -561.380152 where: bonds (distance) C4'-P energy: -102.887 bonds (distance) P-C4' energy: -104.646 flat angles C4'-P-C4' energy: -111.424 flat angles P-C4'-P energy: -74.204 tors. eta vs tors. theta energy: -168.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1731.350620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.350620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.350620 (E_RNA) where: Base-Base interactions energy: -1204.990 where: short stacking energy: -508.268 Base-Backbone interact. energy: -1.974 local terms energy: -524.386032 where: bonds (distance) C4'-P energy: -102.159 bonds (distance) P-C4' energy: -91.523 flat angles C4'-P-C4' energy: -114.413 flat angles P-C4'-P energy: -73.575 tors. eta vs tors. theta energy: -142.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1643.186163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.186163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.186163 (E_RNA) where: Base-Base interactions energy: -1110.567 where: short stacking energy: -478.863 Base-Backbone interact. energy: -0.963 local terms energy: -531.656569 where: bonds (distance) C4'-P energy: -102.440 bonds (distance) P-C4' energy: -96.558 flat angles C4'-P-C4' energy: -118.454 flat angles P-C4'-P energy: -78.513 tors. eta vs tors. theta energy: -135.692 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: 5, replica: 4 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1551.173383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.173383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.173383 (E_RNA) where: Base-Base interactions energy: -1067.252 where: short stacking energy: -447.031 Base-Backbone interact. energy: -2.595 local terms energy: -481.326473 where: bonds (distance) C4'-P energy: -82.756 bonds (distance) P-C4' energy: -100.720 flat angles C4'-P-C4' energy: -107.748 flat angles P-C4'-P energy: -74.715 tors. eta vs tors. theta energy: -115.388 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: 6, replica: 10 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1520.206239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.206239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.206239 (E_RNA) where: Base-Base interactions energy: -1004.725 where: short stacking energy: -437.418 Base-Backbone interact. energy: -1.542 local terms energy: -513.939439 where: bonds (distance) C4'-P energy: -101.059 bonds (distance) P-C4' energy: -90.966 flat angles C4'-P-C4' energy: -116.075 flat angles P-C4'-P energy: -85.345 tors. eta vs tors. theta energy: -120.495 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: 7, replica: 2 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1426.697189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.697189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.697189 (E_RNA) where: Base-Base interactions energy: -945.609 where: short stacking energy: -390.848 Base-Backbone interact. energy: -3.150 local terms energy: -477.938170 where: bonds (distance) C4'-P energy: -105.110 bonds (distance) P-C4' energy: -93.479 flat angles C4'-P-C4' energy: -101.887 flat angles P-C4'-P energy: -67.621 tors. eta vs tors. theta energy: -109.840 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: 175 Temperature: 1.250000 Total energy: -1197.242341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.242341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.242341 (E_RNA) where: Base-Base interactions energy: -775.444 where: short stacking energy: -332.340 Base-Backbone interact. energy: 0.133 local terms energy: -421.930907 where: bonds (distance) C4'-P energy: -89.063 bonds (distance) P-C4' energy: -103.166 flat angles C4'-P-C4' energy: -93.550 flat angles P-C4'-P energy: -60.008 tors. eta vs tors. theta energy: -76.144 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: 9 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1023.548744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.548744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.548744 (E_RNA) where: Base-Base interactions energy: -661.969 where: short stacking energy: -290.802 Base-Backbone interact. energy: 3.991 local terms energy: -365.570181 where: bonds (distance) C4'-P energy: -91.196 bonds (distance) P-C4' energy: -73.810 flat angles C4'-P-C4' energy: -101.205 flat angles P-C4'-P energy: -48.473 tors. eta vs tors. theta energy: -50.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -541.166528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.166528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.166528 (E_RNA) where: Base-Base interactions energy: -217.557 where: short stacking energy: -136.521 Base-Backbone interact. energy: -1.863 local terms energy: -321.746631 where: bonds (distance) C4'-P energy: -108.208 bonds (distance) P-C4' energy: -95.105 flat angles C4'-P-C4' energy: -88.926 flat angles P-C4'-P energy: -43.531 tors. eta vs tors. theta energy: 14.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1925.734487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.734487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.734487 (E_RNA) where: Base-Base interactions energy: -1316.604 where: short stacking energy: -571.698 Base-Backbone interact. energy: -4.815 local terms energy: -604.315605 where: bonds (distance) C4'-P energy: -118.487 bonds (distance) P-C4' energy: -106.029 flat angles C4'-P-C4' energy: -122.060 flat angles P-C4'-P energy: -84.832 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: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1835.047947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.047947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.047947 (E_RNA) where: Base-Base interactions energy: -1255.365 where: short stacking energy: -541.234 Base-Backbone interact. energy: -4.415 local terms energy: -575.267621 where: bonds (distance) C4'-P energy: -107.728 bonds (distance) P-C4' energy: -122.508 flat angles C4'-P-C4' energy: -110.865 flat angles P-C4'-P energy: -75.602 tors. eta vs tors. theta energy: -158.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1737.469550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.469550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.469550 (E_RNA) where: Base-Base interactions energy: -1206.541 where: short stacking energy: -490.123 Base-Backbone interact. energy: 2.341 local terms energy: -533.269450 where: bonds (distance) C4'-P energy: -103.311 bonds (distance) P-C4' energy: -102.585 flat angles C4'-P-C4' energy: -104.727 flat angles P-C4'-P energy: -73.415 tors. eta vs tors. theta energy: -149.232 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: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1599.842080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.842080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.842080 (E_RNA) where: Base-Base interactions energy: -1070.424 where: short stacking energy: -466.441 Base-Backbone interact. energy: -1.816 local terms energy: -527.602320 where: bonds (distance) C4'-P energy: -107.799 bonds (distance) P-C4' energy: -96.600 flat angles C4'-P-C4' energy: -109.122 flat angles P-C4'-P energy: -78.535 tors. eta vs tors. theta energy: -135.546 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: 4 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1577.545906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.545906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.545906 (E_RNA) where: Base-Base interactions energy: -1111.998 where: short stacking energy: -462.741 Base-Backbone interact. energy: 2.064 local terms energy: -467.612198 where: bonds (distance) C4'-P energy: -88.457 bonds (distance) P-C4' energy: -94.159 flat angles C4'-P-C4' energy: -103.243 flat angles P-C4'-P energy: -65.879 tors. eta vs tors. theta energy: -115.874 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: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1486.324339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.324339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.324339 (E_RNA) where: Base-Base interactions energy: -996.967 where: short stacking energy: -421.978 Base-Backbone interact. energy: -3.750 local terms energy: -485.606973 where: bonds (distance) C4'-P energy: -96.902 bonds (distance) P-C4' energy: -98.899 flat angles C4'-P-C4' energy: -101.407 flat angles P-C4'-P energy: -83.339 tors. eta vs tors. theta energy: -105.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1395.339169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.339169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.339169 (E_RNA) where: Base-Base interactions energy: -954.500 where: short stacking energy: -412.204 Base-Backbone interact. energy: -1.545 local terms energy: -439.294112 where: bonds (distance) C4'-P energy: -92.601 bonds (distance) P-C4' energy: -91.764 flat angles C4'-P-C4' energy: -110.722 flat angles P-C4'-P energy: -57.117 tors. eta vs tors. theta energy: -87.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1268.911540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.911540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.911540 (E_RNA) where: Base-Base interactions energy: -836.598 where: short stacking energy: -354.187 Base-Backbone interact. energy: -0.818 local terms energy: -431.495282 where: bonds (distance) C4'-P energy: -103.485 bonds (distance) P-C4' energy: -87.579 flat angles C4'-P-C4' energy: -92.964 flat angles P-C4'-P energy: -61.768 tors. eta vs tors. theta energy: -85.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1036.119541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.119541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.119541 (E_RNA) where: Base-Base interactions energy: -687.300 where: short stacking energy: -292.058 Base-Backbone interact. energy: -4.981 local terms energy: -343.837728 where: bonds (distance) C4'-P energy: -76.034 bonds (distance) P-C4' energy: -74.428 flat angles C4'-P-C4' energy: -91.741 flat angles P-C4'-P energy: -53.412 tors. eta vs tors. theta energy: -48.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -563.883200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.883200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.883200 (E_RNA) where: Base-Base interactions energy: -261.476 where: short stacking energy: -146.918 Base-Backbone interact. energy: 1.231 local terms energy: -303.638315 where: bonds (distance) C4'-P energy: -85.136 bonds (distance) P-C4' energy: -103.304 flat angles C4'-P-C4' energy: -88.691 flat angles P-C4'-P energy: -13.700 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: 7 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1906.427811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.427811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.427811 (E_RNA) where: Base-Base interactions energy: -1300.184 where: short stacking energy: -549.550 Base-Backbone interact. energy: -3.901 local terms energy: -602.342669 where: bonds (distance) C4'-P energy: -110.877 bonds (distance) P-C4' energy: -98.989 flat angles C4'-P-C4' energy: -124.928 flat angles P-C4'-P energy: -93.102 tors. eta vs tors. theta energy: -174.447 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: 177 Temperature: 0.950000 Total energy: -1805.535744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.535744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.535744 (E_RNA) where: Base-Base interactions energy: -1238.106 where: short stacking energy: -522.560 Base-Backbone interact. energy: -2.207 local terms energy: -565.223112 where: bonds (distance) C4'-P energy: -112.828 bonds (distance) P-C4' energy: -93.300 flat angles C4'-P-C4' energy: -117.609 flat angles P-C4'-P energy: -86.171 tors. eta vs tors. theta energy: -155.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1741.018391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.018391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.018391 (E_RNA) where: Base-Base interactions energy: -1190.577 where: short stacking energy: -512.749 Base-Backbone interact. energy: -1.398 local terms energy: -549.042870 where: bonds (distance) C4'-P energy: -100.182 bonds (distance) P-C4' energy: -107.945 flat angles C4'-P-C4' energy: -114.199 flat angles P-C4'-P energy: -79.187 tors. eta vs tors. theta energy: -147.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1642.364813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.364813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.364813 (E_RNA) where: Base-Base interactions energy: -1127.401 where: short stacking energy: -505.447 Base-Backbone interact. energy: -1.084 local terms energy: -513.879323 where: bonds (distance) C4'-P energy: -107.403 bonds (distance) P-C4' energy: -87.244 flat angles C4'-P-C4' energy: -110.854 flat angles P-C4'-P energy: -76.544 tors. eta vs tors. theta energy: -131.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1597.380206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.380206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.380206 (E_RNA) where: Base-Base interactions energy: -1114.632 where: short stacking energy: -462.016 Base-Backbone interact. energy: 0.867 local terms energy: -483.615862 where: bonds (distance) C4'-P energy: -95.064 bonds (distance) P-C4' energy: -96.609 flat angles C4'-P-C4' energy: -104.899 flat angles P-C4'-P energy: -69.150 tors. eta vs tors. theta energy: -117.893 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: 10 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1513.935532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.935532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.935532 (E_RNA) where: Base-Base interactions energy: -1021.644 where: short stacking energy: -439.573 Base-Backbone interact. energy: -2.437 local terms energy: -489.854092 where: bonds (distance) C4'-P energy: -98.087 bonds (distance) P-C4' energy: -95.249 flat angles C4'-P-C4' energy: -107.572 flat angles P-C4'-P energy: -66.073 tors. eta vs tors. theta energy: -122.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1417.238506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.238506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.238506 (E_RNA) where: Base-Base interactions energy: -977.464 where: short stacking energy: -405.350 Base-Backbone interact. energy: -2.974 local terms energy: -436.800362 where: bonds (distance) C4'-P energy: -86.536 bonds (distance) P-C4' energy: -91.676 flat angles C4'-P-C4' energy: -101.435 flat angles P-C4'-P energy: -55.046 tors. eta vs tors. theta energy: -102.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1291.865860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.865860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.865860 (E_RNA) where: Base-Base interactions energy: -832.662 where: short stacking energy: -362.214 Base-Backbone interact. energy: -0.728 local terms energy: -458.475353 where: bonds (distance) C4'-P energy: -103.789 bonds (distance) P-C4' energy: -101.243 flat angles C4'-P-C4' energy: -108.248 flat angles P-C4'-P energy: -66.042 tors. eta vs tors. theta energy: -79.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -952.009646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.009646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.009646 (E_RNA) where: Base-Base interactions energy: -614.370 where: short stacking energy: -266.143 Base-Backbone interact. energy: -1.524 local terms energy: -336.115440 where: bonds (distance) C4'-P energy: -71.472 bonds (distance) P-C4' energy: -77.586 flat angles C4'-P-C4' energy: -82.749 flat angles P-C4'-P energy: -64.583 tors. eta vs tors. theta energy: -39.726 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: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -581.451306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.451306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.451306 (E_RNA) where: Base-Base interactions energy: -273.727 where: short stacking energy: -168.290 Base-Backbone interact. energy: 0.972 local terms energy: -308.696648 where: bonds (distance) C4'-P energy: -79.828 bonds (distance) P-C4' energy: -89.990 flat angles C4'-P-C4' energy: -89.305 flat angles P-C4'-P energy: -60.146 tors. eta vs tors. theta energy: 10.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1876.080840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.080840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.080840 (E_RNA) where: Base-Base interactions energy: -1281.877 where: short stacking energy: -545.399 Base-Backbone interact. energy: -2.247 local terms energy: -591.956505 where: bonds (distance) C4'-P energy: -112.383 bonds (distance) P-C4' energy: -115.312 flat angles C4'-P-C4' energy: -126.025 flat angles P-C4'-P energy: -79.287 tors. eta vs tors. theta energy: -158.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1831.683007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.683007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.683007 (E_RNA) where: Base-Base interactions energy: -1249.782 where: short stacking energy: -544.830 Base-Backbone interact. energy: -3.383 local terms energy: -578.518037 where: bonds (distance) C4'-P energy: -107.216 bonds (distance) P-C4' energy: -103.897 flat angles C4'-P-C4' energy: -114.023 flat angles P-C4'-P energy: -90.640 tors. eta vs tors. theta energy: -162.743 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: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1749.008645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.008645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.008645 (E_RNA) where: Base-Base interactions energy: -1209.814 where: short stacking energy: -518.866 Base-Backbone interact. energy: -0.127 local terms energy: -539.067042 where: bonds (distance) C4'-P energy: -95.011 bonds (distance) P-C4' energy: -94.356 flat angles C4'-P-C4' energy: -123.077 flat angles P-C4'-P energy: -76.581 tors. eta vs tors. theta energy: -150.042 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: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1638.278729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.278729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.278729 (E_RNA) where: Base-Base interactions energy: -1130.782 where: short stacking energy: -484.849 Base-Backbone interact. energy: -0.511 local terms energy: -506.985838 where: bonds (distance) C4'-P energy: -91.244 bonds (distance) P-C4' energy: -94.843 flat angles C4'-P-C4' energy: -102.265 flat angles P-C4'-P energy: -84.079 tors. eta vs tors. theta energy: -134.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1570.554045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.554045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.554045 (E_RNA) where: Base-Base interactions energy: -1077.875 where: short stacking energy: -452.662 Base-Backbone interact. energy: -1.351 local terms energy: -491.328224 where: bonds (distance) C4'-P energy: -90.910 bonds (distance) P-C4' energy: -101.121 flat angles C4'-P-C4' energy: -109.970 flat angles P-C4'-P energy: -69.407 tors. eta vs tors. theta energy: -119.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1514.962714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.962714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.962714 (E_RNA) where: Base-Base interactions energy: -1049.702 where: short stacking energy: -451.899 Base-Backbone interact. energy: 4.367 local terms energy: -469.627471 where: bonds (distance) C4'-P energy: -92.843 bonds (distance) P-C4' energy: -102.239 flat angles C4'-P-C4' energy: -105.284 flat angles P-C4'-P energy: -60.827 tors. eta vs tors. theta energy: -108.435 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: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1361.464073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.464073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.464073 (E_RNA) where: Base-Base interactions energy: -942.625 where: short stacking energy: -401.626 Base-Backbone interact. energy: -2.398 local terms energy: -416.440750 where: bonds (distance) C4'-P energy: -78.693 bonds (distance) P-C4' energy: -84.198 flat angles C4'-P-C4' energy: -105.859 flat angles P-C4'-P energy: -46.628 tors. eta vs tors. theta energy: -101.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1284.797898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.797898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.797898 (E_RNA) where: Base-Base interactions energy: -863.575 where: short stacking energy: -363.166 Base-Backbone interact. energy: -1.125 local terms energy: -420.097907 where: bonds (distance) C4'-P energy: -80.713 bonds (distance) P-C4' energy: -99.666 flat angles C4'-P-C4' energy: -95.496 flat angles P-C4'-P energy: -65.839 tors. eta vs tors. theta energy: -78.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1028.755423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.755423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.755423 (E_RNA) where: Base-Base interactions energy: -672.877 where: short stacking energy: -297.271 Base-Backbone interact. energy: 1.002 local terms energy: -356.880501 where: bonds (distance) C4'-P energy: -72.648 bonds (distance) P-C4' energy: -92.309 flat angles C4'-P-C4' energy: -95.630 flat angles P-C4'-P energy: -55.704 tors. eta vs tors. theta energy: -40.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -546.420503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.420503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.420503 (E_RNA) where: Base-Base interactions energy: -242.626 where: short stacking energy: -134.682 Base-Backbone interact. energy: -1.001 local terms energy: -302.794098 where: bonds (distance) C4'-P energy: -78.255 bonds (distance) P-C4' energy: -89.606 flat angles C4'-P-C4' energy: -82.209 flat angles P-C4'-P energy: -60.644 tors. eta vs tors. theta energy: 7.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1890.239753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.239753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.239753 (E_RNA) where: Base-Base interactions energy: -1314.644 where: short stacking energy: -572.911 Base-Backbone interact. energy: -2.471 local terms energy: -573.125003 where: bonds (distance) C4'-P energy: -108.187 bonds (distance) P-C4' energy: -116.163 flat angles C4'-P-C4' energy: -117.663 flat angles P-C4'-P energy: -74.603 tors. eta vs tors. theta energy: -156.509 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: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1827.448900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.448900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.448900 (E_RNA) where: Base-Base interactions energy: -1251.241 where: short stacking energy: -553.160 Base-Backbone interact. energy: -3.147 local terms energy: -573.060686 where: bonds (distance) C4'-P energy: -112.970 bonds (distance) P-C4' energy: -109.384 flat angles C4'-P-C4' energy: -120.053 flat angles P-C4'-P energy: -81.445 tors. eta vs tors. theta energy: -149.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1754.514825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.514825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.514825 (E_RNA) where: Base-Base interactions energy: -1231.641 where: short stacking energy: -523.157 Base-Backbone interact. energy: -1.962 local terms energy: -520.911856 where: bonds (distance) C4'-P energy: -94.458 bonds (distance) P-C4' energy: -93.896 flat angles C4'-P-C4' energy: -115.989 flat angles P-C4'-P energy: -64.204 tors. eta vs tors. theta energy: -152.365 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: 4 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1606.820229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.820229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.820229 (E_RNA) where: Base-Base interactions energy: -1086.717 where: short stacking energy: -470.266 Base-Backbone interact. energy: -1.070 local terms energy: -519.032709 where: bonds (distance) C4'-P energy: -96.632 bonds (distance) P-C4' energy: -110.475 flat angles C4'-P-C4' energy: -112.878 flat angles P-C4'-P energy: -77.262 tors. eta vs tors. theta energy: -121.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1558.152396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.152396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.152396 (E_RNA) where: Base-Base interactions energy: -1074.568 where: short stacking energy: -477.426 Base-Backbone interact. energy: -0.752 local terms energy: -482.832058 where: bonds (distance) C4'-P energy: -79.428 bonds (distance) P-C4' energy: -103.428 flat angles C4'-P-C4' energy: -114.507 flat angles P-C4'-P energy: -68.110 tors. eta vs tors. theta energy: -117.359 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: 179 Temperature: 1.150000 Total energy: -1546.597669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.597669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.597669 (E_RNA) where: Base-Base interactions energy: -1051.715 where: short stacking energy: -448.890 Base-Backbone interact. energy: 0.389 local terms energy: -495.271155 where: bonds (distance) C4'-P energy: -89.938 bonds (distance) P-C4' energy: -95.618 flat angles C4'-P-C4' energy: -103.244 flat angles P-C4'-P energy: -79.682 tors. eta vs tors. theta energy: -126.790 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: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1371.258306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.258306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.258306 (E_RNA) where: Base-Base interactions energy: -927.426 where: short stacking energy: -395.541 Base-Backbone interact. energy: -2.557 local terms energy: -441.275273 where: bonds (distance) C4'-P energy: -83.761 bonds (distance) P-C4' energy: -87.348 flat angles C4'-P-C4' energy: -104.173 flat angles P-C4'-P energy: -63.579 tors. eta vs tors. theta energy: -102.414 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: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1271.077058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.077058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.077058 (E_RNA) where: Base-Base interactions energy: -867.536 where: short stacking energy: -370.845 Base-Backbone interact. energy: 2.497 local terms energy: -406.038405 where: bonds (distance) C4'-P energy: -95.381 bonds (distance) P-C4' energy: -92.582 flat angles C4'-P-C4' energy: -88.749 flat angles P-C4'-P energy: -35.745 tors. eta vs tors. theta energy: -93.581 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: 179 Temperature: 1.300000 Total energy: -945.534836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.534836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.534836 (E_RNA) where: Base-Base interactions energy: -578.437 where: short stacking energy: -260.671 Base-Backbone interact. energy: -0.574 local terms energy: -366.523244 where: bonds (distance) C4'-P energy: -83.454 bonds (distance) P-C4' energy: -98.051 flat angles C4'-P-C4' energy: -79.379 flat angles P-C4'-P energy: -56.797 tors. eta vs tors. theta energy: -48.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -535.796981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.796981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.796981 (E_RNA) where: Base-Base interactions energy: -247.739 where: short stacking energy: -155.633 Base-Backbone interact. energy: 2.329 local terms energy: -290.386853 where: bonds (distance) C4'-P energy: -76.306 bonds (distance) P-C4' energy: -87.551 flat angles C4'-P-C4' energy: -86.468 flat angles P-C4'-P energy: -40.668 tors. eta vs tors. theta energy: 0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1900.616284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.616284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.616284 (E_RNA) where: Base-Base interactions energy: -1318.669 where: short stacking energy: -563.366 Base-Backbone interact. energy: -1.966 local terms energy: -579.980567 where: bonds (distance) C4'-P energy: -107.430 bonds (distance) P-C4' energy: -110.020 flat angles C4'-P-C4' energy: -115.685 flat angles P-C4'-P energy: -82.769 tors. eta vs tors. theta energy: -164.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1811.368496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.368496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.368496 (E_RNA) where: Base-Base interactions energy: -1249.887 where: short stacking energy: -560.925 Base-Backbone interact. energy: -2.330 local terms energy: -559.151746 where: bonds (distance) C4'-P energy: -108.036 bonds (distance) P-C4' energy: -100.681 flat angles C4'-P-C4' energy: -115.934 flat angles P-C4'-P energy: -82.213 tors. eta vs tors. theta energy: -152.288 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: 3 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1773.609927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.609927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.609927 (E_RNA) where: Base-Base interactions energy: -1220.907 where: short stacking energy: -509.559 Base-Backbone interact. energy: -2.091 local terms energy: -550.612509 where: bonds (distance) C4'-P energy: -108.598 bonds (distance) P-C4' energy: -98.772 flat angles C4'-P-C4' energy: -110.162 flat angles P-C4'-P energy: -80.774 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: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1635.035956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.035956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.035956 (E_RNA) where: Base-Base interactions energy: -1099.301 where: short stacking energy: -475.287 Base-Backbone interact. energy: 0.235 local terms energy: -535.969998 where: bonds (distance) C4'-P energy: -110.187 bonds (distance) P-C4' energy: -106.570 flat angles C4'-P-C4' energy: -113.175 flat angles P-C4'-P energy: -69.087 tors. eta vs tors. theta energy: -136.951 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: 1 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1588.578408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.578408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.578408 (E_RNA) where: Base-Base interactions energy: -1109.781 where: short stacking energy: -459.038 Base-Backbone interact. energy: 0.450 local terms energy: -479.247403 where: bonds (distance) C4'-P energy: -97.236 bonds (distance) P-C4' energy: -101.747 flat angles C4'-P-C4' energy: -104.630 flat angles P-C4'-P energy: -73.042 tors. eta vs tors. theta energy: -102.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1505.006988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.006988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.006988 (E_RNA) where: Base-Base interactions energy: -1013.257 where: short stacking energy: -433.788 Base-Backbone interact. energy: 3.306 local terms energy: -495.055356 where: bonds (distance) C4'-P energy: -108.223 bonds (distance) P-C4' energy: -84.754 flat angles C4'-P-C4' energy: -106.275 flat angles P-C4'-P energy: -75.714 tors. eta vs tors. theta energy: -120.090 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: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1383.250898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.250898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.250898 (E_RNA) where: Base-Base interactions energy: -918.699 where: short stacking energy: -389.838 Base-Backbone interact. energy: -0.330 local terms energy: -464.222069 where: bonds (distance) C4'-P energy: -88.663 bonds (distance) P-C4' energy: -107.310 flat angles C4'-P-C4' energy: -111.119 flat angles P-C4'-P energy: -53.957 tors. eta vs tors. theta energy: -103.174 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: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1231.015958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.015958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.015958 (E_RNA) where: Base-Base interactions energy: -811.865 where: short stacking energy: -349.660 Base-Backbone interact. energy: -1.974 local terms energy: -417.176805 where: bonds (distance) C4'-P energy: -72.018 bonds (distance) P-C4' energy: -94.491 flat angles C4'-P-C4' energy: -101.943 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -88.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1016.933448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.933448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.933448 (E_RNA) where: Base-Base interactions energy: -652.266 where: short stacking energy: -306.126 Base-Backbone interact. energy: -2.139 local terms energy: -362.528224 where: bonds (distance) C4'-P energy: -93.039 bonds (distance) P-C4' energy: -85.383 flat angles C4'-P-C4' energy: -82.398 flat angles P-C4'-P energy: -45.678 tors. eta vs tors. theta energy: -56.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -557.106988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.106988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.106988 (E_RNA) where: Base-Base interactions energy: -257.247 where: short stacking energy: -171.976 Base-Backbone interact. energy: 3.507 local terms energy: -303.367211 where: bonds (distance) C4'-P energy: -84.734 bonds (distance) P-C4' energy: -93.822 flat angles C4'-P-C4' energy: -65.893 flat angles P-C4'-P energy: -46.157 tors. eta vs tors. theta energy: -12.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1895.088149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.088149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.088149 (E_RNA) where: Base-Base interactions energy: -1318.701 where: short stacking energy: -564.607 Base-Backbone interact. energy: -3.908 local terms energy: -572.478951 where: bonds (distance) C4'-P energy: -94.595 bonds (distance) P-C4' energy: -117.752 flat angles C4'-P-C4' energy: -121.066 flat angles P-C4'-P energy: -76.662 tors. eta vs tors. theta energy: -162.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1827.967737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.967737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.967737 (E_RNA) where: Base-Base interactions energy: -1275.701 where: short stacking energy: -523.331 Base-Backbone interact. energy: 1.138 local terms energy: -553.405074 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -101.178 flat angles C4'-P-C4' energy: -115.530 flat angles P-C4'-P energy: -79.017 tors. eta vs tors. theta energy: -160.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1785.539748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.539748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.539748 (E_RNA) where: Base-Base interactions energy: -1223.891 where: short stacking energy: -532.038 Base-Backbone interact. energy: -2.965 local terms energy: -558.684424 where: bonds (distance) C4'-P energy: -99.187 bonds (distance) P-C4' energy: -99.226 flat angles C4'-P-C4' energy: -121.638 flat angles P-C4'-P energy: -80.878 tors. eta vs tors. theta energy: -157.756 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: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1684.265603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.265603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.265603 (E_RNA) where: Base-Base interactions energy: -1155.168 where: short stacking energy: -498.594 Base-Backbone interact. energy: -1.259 local terms energy: -527.838948 where: bonds (distance) C4'-P energy: -92.937 bonds (distance) P-C4' energy: -101.235 flat angles C4'-P-C4' energy: -115.906 flat angles P-C4'-P energy: -86.330 tors. eta vs tors. theta energy: -131.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1593.228111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.228111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.228111 (E_RNA) where: Base-Base interactions energy: -1088.083 where: short stacking energy: -453.155 Base-Backbone interact. energy: 1.812 local terms energy: -506.956950 where: bonds (distance) C4'-P energy: -100.140 bonds (distance) P-C4' energy: -106.752 flat angles C4'-P-C4' energy: -100.934 flat angles P-C4'-P energy: -74.724 tors. eta vs tors. theta energy: -124.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1523.082727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.082727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.082727 (E_RNA) where: Base-Base interactions energy: -1032.055 where: short stacking energy: -458.058 Base-Backbone interact. energy: -2.130 local terms energy: -488.897478 where: bonds (distance) C4'-P energy: -96.171 bonds (distance) P-C4' energy: -97.688 flat angles C4'-P-C4' energy: -102.566 flat angles P-C4'-P energy: -66.455 tors. eta vs tors. theta energy: -126.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1362.604528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.604528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.604528 (E_RNA) where: Base-Base interactions energy: -920.633 where: short stacking energy: -381.626 Base-Backbone interact. energy: -2.352 local terms energy: -439.619466 where: bonds (distance) C4'-P energy: -89.567 bonds (distance) P-C4' energy: -102.464 flat angles C4'-P-C4' energy: -98.148 flat angles P-C4'-P energy: -66.552 tors. eta vs tors. theta energy: -82.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1207.740013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.740013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.740013 (E_RNA) where: Base-Base interactions energy: -810.022 where: short stacking energy: -355.446 Base-Backbone interact. energy: -0.710 local terms energy: -397.007757 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -95.051 flat angles C4'-P-C4' energy: -98.051 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: -80.447 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: -967.461647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.461647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.461647 (E_RNA) where: Base-Base interactions energy: -581.846 where: short stacking energy: -257.357 Base-Backbone interact. energy: -1.204 local terms energy: -384.411430 where: bonds (distance) C4'-P energy: -99.240 bonds (distance) P-C4' energy: -94.747 flat angles C4'-P-C4' energy: -99.503 flat angles P-C4'-P energy: -55.910 tors. eta vs tors. theta energy: -35.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -612.700039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.700039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.700039 (E_RNA) where: Base-Base interactions energy: -323.701 where: short stacking energy: -164.232 Base-Backbone interact. energy: 2.096 local terms energy: -291.095253 where: bonds (distance) C4'-P energy: -88.317 bonds (distance) P-C4' energy: -85.599 flat angles C4'-P-C4' energy: -75.253 flat angles P-C4'-P energy: -48.372 tors. eta vs tors. theta energy: 6.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1904.560103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.560103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.560103 (E_RNA) where: Base-Base interactions energy: -1299.035 where: short stacking energy: -549.468 Base-Backbone interact. energy: -3.293 local terms energy: -602.231688 where: bonds (distance) C4'-P energy: -115.996 bonds (distance) P-C4' energy: -108.473 flat angles C4'-P-C4' energy: -130.419 flat angles P-C4'-P energy: -82.590 tors. eta vs tors. theta energy: -164.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1823.954039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.954039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.954039 (E_RNA) where: Base-Base interactions energy: -1266.569 where: short stacking energy: -534.437 Base-Backbone interact. energy: -2.693 local terms energy: -554.691293 where: bonds (distance) C4'-P energy: -102.918 bonds (distance) P-C4' energy: -100.564 flat angles C4'-P-C4' energy: -108.153 flat angles P-C4'-P energy: -78.661 tors. eta vs tors. theta energy: -164.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1767.618413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.618413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.618413 (E_RNA) where: Base-Base interactions energy: -1235.636 where: short stacking energy: -532.788 Base-Backbone interact. energy: 2.645 local terms energy: -534.627386 where: bonds (distance) C4'-P energy: -97.194 bonds (distance) P-C4' energy: -90.195 flat angles C4'-P-C4' energy: -113.731 flat angles P-C4'-P energy: -86.789 tors. eta vs tors. theta energy: -146.718 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: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1642.576777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.576777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.576777 (E_RNA) where: Base-Base interactions energy: -1114.584 where: short stacking energy: -460.711 Base-Backbone interact. energy: -3.079 local terms energy: -524.912849 where: bonds (distance) C4'-P energy: -110.236 bonds (distance) P-C4' energy: -104.847 flat angles C4'-P-C4' energy: -114.984 flat angles P-C4'-P energy: -63.502 tors. eta vs tors. theta energy: -131.344 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: 1 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1574.826946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.826946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.826946 (E_RNA) where: Base-Base interactions energy: -1095.591 where: short stacking energy: -440.138 Base-Backbone interact. energy: 2.010 local terms energy: -481.245964 where: bonds (distance) C4'-P energy: -101.609 bonds (distance) P-C4' energy: -92.483 flat angles C4'-P-C4' energy: -108.434 flat angles P-C4'-P energy: -72.503 tors. eta vs tors. theta energy: -106.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1510.634960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.634960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.634960 (E_RNA) where: Base-Base interactions energy: -1040.246 where: short stacking energy: -442.307 Base-Backbone interact. energy: -2.102 local terms energy: -468.287624 where: bonds (distance) C4'-P energy: -79.385 bonds (distance) P-C4' energy: -102.830 flat angles C4'-P-C4' energy: -109.445 flat angles P-C4'-P energy: -66.144 tors. eta vs tors. theta energy: -110.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1347.924949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.924949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.924949 (E_RNA) where: Base-Base interactions energy: -907.785 where: short stacking energy: -356.656 Base-Backbone interact. energy: -2.246 local terms energy: -437.894203 where: bonds (distance) C4'-P energy: -84.921 bonds (distance) P-C4' energy: -96.868 flat angles C4'-P-C4' energy: -108.775 flat angles P-C4'-P energy: -54.431 tors. eta vs tors. theta energy: -92.899 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: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1271.535567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.535567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.535567 (E_RNA) where: Base-Base interactions energy: -849.842 where: short stacking energy: -377.043 Base-Backbone interact. energy: -0.226 local terms energy: -421.467885 where: bonds (distance) C4'-P energy: -94.760 bonds (distance) P-C4' energy: -101.986 flat angles C4'-P-C4' energy: -89.442 flat angles P-C4'-P energy: -52.874 tors. eta vs tors. theta energy: -82.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -940.094001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.094001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.094001 (E_RNA) where: Base-Base interactions energy: -576.311 where: short stacking energy: -240.723 Base-Backbone interact. energy: 3.112 local terms energy: -366.895136 where: bonds (distance) C4'-P energy: -85.604 bonds (distance) P-C4' energy: -102.134 flat angles C4'-P-C4' energy: -94.925 flat angles P-C4'-P energy: -62.678 tors. eta vs tors. theta energy: -21.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -560.054580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.054580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.054580 (E_RNA) where: Base-Base interactions energy: -268.396 where: short stacking energy: -151.380 Base-Backbone interact. energy: 1.822 local terms energy: -293.480172 where: bonds (distance) C4'-P energy: -96.484 bonds (distance) P-C4' energy: -73.166 flat angles C4'-P-C4' energy: -90.462 flat angles P-C4'-P energy: -39.374 tors. eta vs tors. theta energy: 6.005 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: 1, replica: 7 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1925.834853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.834853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.834853 (E_RNA) where: Base-Base interactions energy: -1313.072 where: short stacking energy: -566.613 Base-Backbone interact. energy: 0.029 local terms energy: -612.791017 where: bonds (distance) C4'-P energy: -111.348 bonds (distance) P-C4' energy: -115.245 flat angles C4'-P-C4' energy: -126.358 flat angles P-C4'-P energy: -84.341 tors. eta vs tors. theta energy: -175.500 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: 3 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1775.018498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.018498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.018498 (E_RNA) where: Base-Base interactions energy: -1241.122 where: short stacking energy: -516.870 Base-Backbone interact. energy: -3.657 local terms energy: -530.239706 where: bonds (distance) C4'-P energy: -98.089 bonds (distance) P-C4' energy: -101.486 flat angles C4'-P-C4' energy: -123.251 flat angles P-C4'-P energy: -68.066 tors. eta vs tors. theta energy: -139.347 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: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1759.319170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.319170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.319170 (E_RNA) where: Base-Base interactions energy: -1193.435 where: short stacking energy: -514.085 Base-Backbone interact. energy: -1.271 local terms energy: -564.613688 where: bonds (distance) C4'-P energy: -104.454 bonds (distance) P-C4' energy: -107.811 flat angles C4'-P-C4' energy: -118.325 flat angles P-C4'-P energy: -86.964 tors. eta vs tors. theta energy: -147.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1643.389090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.389090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.389090 (E_RNA) where: Base-Base interactions energy: -1116.189 where: short stacking energy: -460.546 Base-Backbone interact. energy: -1.039 local terms energy: -526.161034 where: bonds (distance) C4'-P energy: -87.761 bonds (distance) P-C4' energy: -102.828 flat angles C4'-P-C4' energy: -117.250 flat angles P-C4'-P energy: -80.664 tors. eta vs tors. theta energy: -137.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1560.921098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.921098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.921098 (E_RNA) where: Base-Base interactions energy: -1082.241 where: short stacking energy: -464.471 Base-Backbone interact. energy: 1.768 local terms energy: -480.447878 where: bonds (distance) C4'-P energy: -89.753 bonds (distance) P-C4' energy: -97.997 flat angles C4'-P-C4' energy: -100.380 flat angles P-C4'-P energy: -67.443 tors. eta vs tors. theta energy: -124.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1509.055641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.055641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.055641 (E_RNA) where: Base-Base interactions energy: -1020.735 where: short stacking energy: -428.623 Base-Backbone interact. energy: -1.678 local terms energy: -486.642750 where: bonds (distance) C4'-P energy: -81.525 bonds (distance) P-C4' energy: -98.951 flat angles C4'-P-C4' energy: -117.698 flat angles P-C4'-P energy: -72.805 tors. eta vs tors. theta energy: -115.664 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: 7, replica: 2 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1317.479079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.479079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.479079 (E_RNA) where: Base-Base interactions energy: -886.123 where: short stacking energy: -381.193 Base-Backbone interact. energy: 1.348 local terms energy: -432.704465 where: bonds (distance) C4'-P energy: -97.008 bonds (distance) P-C4' energy: -93.730 flat angles C4'-P-C4' energy: -90.477 flat angles P-C4'-P energy: -69.674 tors. eta vs tors. theta energy: -81.815 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: 6 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1234.064662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.064662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.064662 (E_RNA) where: Base-Base interactions energy: -824.060 where: short stacking energy: -340.585 Base-Backbone interact. energy: -2.415 local terms energy: -407.589964 where: bonds (distance) C4'-P energy: -86.363 bonds (distance) P-C4' energy: -81.123 flat angles C4'-P-C4' energy: -88.076 flat angles P-C4'-P energy: -64.358 tors. eta vs tors. theta energy: -87.670 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: 9, replica: 9 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -918.339729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.339729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.339729 (E_RNA) where: Base-Base interactions energy: -547.736 where: short stacking energy: -252.697 Base-Backbone interact. energy: -0.674 local terms energy: -369.929765 where: bonds (distance) C4'-P energy: -91.801 bonds (distance) P-C4' energy: -96.740 flat angles C4'-P-C4' energy: -84.577 flat angles P-C4'-P energy: -68.174 tors. eta vs tors. theta energy: -28.638 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: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -513.648621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.648621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.648621 (E_RNA) where: Base-Base interactions energy: -206.403 where: short stacking energy: -135.501 Base-Backbone interact. energy: -3.060 local terms energy: -304.185557 where: bonds (distance) C4'-P energy: -93.259 bonds (distance) P-C4' energy: -82.757 flat angles C4'-P-C4' energy: -70.003 flat angles P-C4'-P energy: -64.083 tors. eta vs tors. theta energy: 5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1949.880623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.880623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.880623 (E_RNA) where: Base-Base interactions energy: -1334.661 where: short stacking energy: -562.890 Base-Backbone interact. energy: -1.424 local terms energy: -613.795780 where: bonds (distance) C4'-P energy: -114.445 bonds (distance) P-C4' energy: -110.291 flat angles C4'-P-C4' energy: -125.221 flat angles P-C4'-P energy: -89.307 tors. eta vs tors. theta energy: -174.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1827.013953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.013953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.013953 (E_RNA) where: Base-Base interactions energy: -1258.447 where: short stacking energy: -513.174 Base-Backbone interact. energy: 0.491 local terms energy: -569.058924 where: bonds (distance) C4'-P energy: -114.440 bonds (distance) P-C4' energy: -113.322 flat angles C4'-P-C4' energy: -112.643 flat angles P-C4'-P energy: -81.590 tors. eta vs tors. theta energy: -147.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1769.913758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.913758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.913758 (E_RNA) where: Base-Base interactions energy: -1231.160 where: short stacking energy: -541.760 Base-Backbone interact. energy: -1.339 local terms energy: -537.414543 where: bonds (distance) C4'-P energy: -91.431 bonds (distance) P-C4' energy: -103.186 flat angles C4'-P-C4' energy: -117.619 flat angles P-C4'-P energy: -65.064 tors. eta vs tors. theta energy: -160.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1618.480808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.480808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.480808 (E_RNA) where: Base-Base interactions energy: -1120.153 where: short stacking energy: -469.089 Base-Backbone interact. energy: -2.371 local terms energy: -495.956763 where: bonds (distance) C4'-P energy: -94.087 bonds (distance) P-C4' energy: -99.267 flat angles C4'-P-C4' energy: -102.604 flat angles P-C4'-P energy: -65.643 tors. eta vs tors. theta energy: -134.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1560.967159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.967159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.967159 (E_RNA) where: Base-Base interactions energy: -1065.302 where: short stacking energy: -442.894 Base-Backbone interact. energy: -3.405 local terms energy: -492.260296 where: bonds (distance) C4'-P energy: -85.347 bonds (distance) P-C4' energy: -106.902 flat angles C4'-P-C4' energy: -112.086 flat angles P-C4'-P energy: -69.403 tors. eta vs tors. theta energy: -118.521 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: 6, replica: 10 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1505.736392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.736392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.736392 (E_RNA) where: Base-Base interactions energy: -1029.450 where: short stacking energy: -472.653 Base-Backbone interact. energy: 3.236 local terms energy: -479.521821 where: bonds (distance) C4'-P energy: -92.203 bonds (distance) P-C4' energy: -90.302 flat angles C4'-P-C4' energy: -106.971 flat angles P-C4'-P energy: -65.495 tors. eta vs tors. theta energy: -124.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1325.715451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.715451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.715451 (E_RNA) where: Base-Base interactions energy: -877.714 where: short stacking energy: -370.464 Base-Backbone interact. energy: 0.855 local terms energy: -448.856591 where: bonds (distance) C4'-P energy: -102.858 bonds (distance) P-C4' energy: -97.453 flat angles C4'-P-C4' energy: -102.521 flat angles P-C4'-P energy: -68.779 tors. eta vs tors. theta energy: -77.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1199.650691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.650691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.650691 (E_RNA) where: Base-Base interactions energy: -787.560 where: short stacking energy: -344.566 Base-Backbone interact. energy: -1.253 local terms energy: -410.837364 where: bonds (distance) C4'-P energy: -92.930 bonds (distance) P-C4' energy: -79.602 flat angles C4'-P-C4' energy: -98.264 flat angles P-C4'-P energy: -58.632 tors. eta vs tors. theta energy: -81.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -923.540590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.540590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.540590 (E_RNA) where: Base-Base interactions energy: -557.137 where: short stacking energy: -284.130 Base-Backbone interact. energy: -1.769 local terms energy: -364.634492 where: bonds (distance) C4'-P energy: -80.814 bonds (distance) P-C4' energy: -96.846 flat angles C4'-P-C4' energy: -84.585 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -39.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -583.407309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.407309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.407309 (E_RNA) where: Base-Base interactions energy: -299.614 where: short stacking energy: -151.495 Base-Backbone interact. energy: -0.196 local terms energy: -283.597337 where: bonds (distance) C4'-P energy: -94.532 bonds (distance) P-C4' energy: -76.753 flat angles C4'-P-C4' energy: -81.906 flat angles P-C4'-P energy: -37.564 tors. eta vs tors. theta energy: 7.158 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: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1970.742176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.742176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.742176 (E_RNA) where: Base-Base interactions energy: -1360.792 where: short stacking energy: -579.497 Base-Backbone interact. energy: -2.565 local terms energy: -607.386044 where: bonds (distance) C4'-P energy: -102.783 bonds (distance) P-C4' energy: -106.910 flat angles C4'-P-C4' energy: -126.936 flat angles P-C4'-P energy: -94.998 tors. eta vs tors. theta energy: -175.759 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: 3 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1830.611587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.611587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.611587 (E_RNA) where: Base-Base interactions energy: -1289.155 where: short stacking energy: -545.948 Base-Backbone interact. energy: -1.198 local terms energy: -540.258441 where: bonds (distance) C4'-P energy: -101.307 bonds (distance) P-C4' energy: -99.562 flat angles C4'-P-C4' energy: -115.718 flat angles P-C4'-P energy: -66.183 tors. eta vs tors. theta energy: -157.488 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: 5 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1766.743637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.743637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.743637 (E_RNA) where: Base-Base interactions energy: -1205.134 where: short stacking energy: -512.687 Base-Backbone interact. energy: -4.184 local terms energy: -557.425149 where: bonds (distance) C4'-P energy: -101.110 bonds (distance) P-C4' energy: -112.229 flat angles C4'-P-C4' energy: -117.592 flat angles P-C4'-P energy: -82.911 tors. eta vs tors. theta energy: -143.584 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: 1 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1621.953754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.953754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.953754 (E_RNA) where: Base-Base interactions energy: -1123.272 where: short stacking energy: -463.606 Base-Backbone interact. energy: -1.630 local terms energy: -497.052319 where: bonds (distance) C4'-P energy: -95.119 bonds (distance) P-C4' energy: -95.008 flat angles C4'-P-C4' energy: -119.936 flat angles P-C4'-P energy: -69.947 tors. eta vs tors. theta energy: -117.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1604.203860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.203860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.203860 (E_RNA) where: Base-Base interactions energy: -1126.119 where: short stacking energy: -459.335 Base-Backbone interact. energy: 2.241 local terms energy: -480.326691 where: bonds (distance) C4'-P energy: -84.711 bonds (distance) P-C4' energy: -90.173 flat angles C4'-P-C4' energy: -104.615 flat angles P-C4'-P energy: -70.941 tors. eta vs tors. theta energy: -129.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1520.975405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.975405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.975405 (E_RNA) where: Base-Base interactions energy: -1035.660 where: short stacking energy: -439.905 Base-Backbone interact. energy: -1.086 local terms energy: -484.229598 where: bonds (distance) C4'-P energy: -92.326 bonds (distance) P-C4' energy: -102.158 flat angles C4'-P-C4' energy: -98.626 flat angles P-C4'-P energy: -74.002 tors. eta vs tors. theta energy: -117.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1291.959240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.959240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.959240 (E_RNA) where: Base-Base interactions energy: -840.097 where: short stacking energy: -344.258 Base-Backbone interact. energy: -2.754 local terms energy: -449.108361 where: bonds (distance) C4'-P energy: -81.532 bonds (distance) P-C4' energy: -100.811 flat angles C4'-P-C4' energy: -100.084 flat angles P-C4'-P energy: -78.001 tors. eta vs tors. theta energy: -88.681 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: 185 Temperature: 1.250000 Total energy: -1230.759111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.759111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.759111 (E_RNA) where: Base-Base interactions energy: -816.798 where: short stacking energy: -337.028 Base-Backbone interact. energy: 4.112 local terms energy: -418.072491 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -103.401 flat angles C4'-P-C4' energy: -84.529 flat angles P-C4'-P energy: -61.427 tors. eta vs tors. theta energy: -77.272 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: 9 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -941.698868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.698868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.698868 (E_RNA) where: Base-Base interactions energy: -578.979 where: short stacking energy: -273.100 Base-Backbone interact. energy: 2.246 local terms energy: -364.965323 where: bonds (distance) C4'-P energy: -79.753 bonds (distance) P-C4' energy: -96.251 flat angles C4'-P-C4' energy: -78.675 flat angles P-C4'-P energy: -59.913 tors. eta vs tors. theta energy: -50.374 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: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -607.692053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.692053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.692053 (E_RNA) where: Base-Base interactions energy: -330.055 where: short stacking energy: -197.256 Base-Backbone interact. energy: -2.799 local terms energy: -274.838152 where: bonds (distance) C4'-P energy: -69.540 bonds (distance) P-C4' energy: -79.277 flat angles C4'-P-C4' energy: -80.166 flat angles P-C4'-P energy: -37.238 tors. eta vs tors. theta energy: -8.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1911.214225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.214225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.214225 (E_RNA) where: Base-Base interactions energy: -1308.672 where: short stacking energy: -549.130 Base-Backbone interact. energy: 0.060 local terms energy: -602.602856 where: bonds (distance) C4'-P energy: -113.402 bonds (distance) P-C4' energy: -111.352 flat angles C4'-P-C4' energy: -117.091 flat angles P-C4'-P energy: -88.831 tors. eta vs tors. theta energy: -171.927 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: 3 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1835.530364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.530364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.530364 (E_RNA) where: Base-Base interactions energy: -1254.641 where: short stacking energy: -532.614 Base-Backbone interact. energy: -3.549 local terms energy: -577.340239 where: bonds (distance) C4'-P energy: -105.720 bonds (distance) P-C4' energy: -107.240 flat angles C4'-P-C4' energy: -117.431 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -164.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1775.947588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.947588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.947588 (E_RNA) where: Base-Base interactions energy: -1215.380 where: short stacking energy: -520.434 Base-Backbone interact. energy: -2.097 local terms energy: -558.470192 where: bonds (distance) C4'-P energy: -103.154 bonds (distance) P-C4' energy: -111.470 flat angles C4'-P-C4' energy: -121.338 flat angles P-C4'-P energy: -77.449 tors. eta vs tors. theta energy: -145.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1670.491802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.491802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.491802 (E_RNA) where: Base-Base interactions energy: -1152.364 where: short stacking energy: -482.635 Base-Backbone interact. energy: -4.422 local terms energy: -513.705860 where: bonds (distance) C4'-P energy: -94.101 bonds (distance) P-C4' energy: -103.042 flat angles C4'-P-C4' energy: -107.410 flat angles P-C4'-P energy: -77.126 tors. eta vs tors. theta energy: -132.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1616.662493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.662493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.662493 (E_RNA) where: Base-Base interactions energy: -1095.117 where: short stacking energy: -452.634 Base-Backbone interact. energy: -3.026 local terms energy: -518.520197 where: bonds (distance) C4'-P energy: -97.609 bonds (distance) P-C4' energy: -104.656 flat angles C4'-P-C4' energy: -109.447 flat angles P-C4'-P energy: -73.134 tors. eta vs tors. theta energy: -133.675 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: 6, replica: 10 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1512.528670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.528670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.528670 (E_RNA) where: Base-Base interactions energy: -1042.029 where: short stacking energy: -449.103 Base-Backbone interact. energy: -1.230 local terms energy: -469.269412 where: bonds (distance) C4'-P energy: -84.185 bonds (distance) P-C4' energy: -107.006 flat angles C4'-P-C4' energy: -104.708 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: -110.413 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: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1259.863819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.863819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.863819 (E_RNA) where: Base-Base interactions energy: -833.815 where: short stacking energy: -353.499 Base-Backbone interact. energy: -1.423 local terms energy: -424.626053 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -97.754 flat angles C4'-P-C4' energy: -102.090 flat angles P-C4'-P energy: -61.343 tors. eta vs tors. theta energy: -75.551 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: 6 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1264.901960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.901960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.901960 (E_RNA) where: Base-Base interactions energy: -834.132 where: short stacking energy: -357.390 Base-Backbone interact. energy: 1.360 local terms energy: -432.130471 where: bonds (distance) C4'-P energy: -87.870 bonds (distance) P-C4' energy: -86.234 flat angles C4'-P-C4' energy: -102.874 flat angles P-C4'-P energy: -62.646 tors. eta vs tors. theta energy: -92.507 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: 186 Temperature: 1.300000 Total energy: -972.384354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.384354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.384354 (E_RNA) where: Base-Base interactions energy: -608.696 where: short stacking energy: -265.663 Base-Backbone interact. energy: 2.337 local terms energy: -366.025539 where: bonds (distance) C4'-P energy: -89.332 bonds (distance) P-C4' energy: -100.290 flat angles C4'-P-C4' energy: -67.908 flat angles P-C4'-P energy: -60.504 tors. eta vs tors. theta energy: -47.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -574.799074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.799074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.799074 (E_RNA) where: Base-Base interactions energy: -281.660 where: short stacking energy: -173.054 Base-Backbone interact. energy: -3.342 local terms energy: -289.796772 where: bonds (distance) C4'-P energy: -81.208 bonds (distance) P-C4' energy: -95.747 flat angles C4'-P-C4' energy: -85.928 flat angles P-C4'-P energy: -37.101 tors. eta vs tors. theta energy: 10.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1928.507680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.507680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.507680 (E_RNA) where: Base-Base interactions energy: -1329.827 where: short stacking energy: -555.988 Base-Backbone interact. energy: -1.367 local terms energy: -597.313147 where: bonds (distance) C4'-P energy: -106.653 bonds (distance) P-C4' energy: -99.737 flat angles C4'-P-C4' energy: -120.437 flat angles P-C4'-P energy: -94.576 tors. eta vs tors. theta energy: -175.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1826.466801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.466801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.466801 (E_RNA) where: Base-Base interactions energy: -1246.383 where: short stacking energy: -526.294 Base-Backbone interact. energy: -3.163 local terms energy: -576.920077 where: bonds (distance) C4'-P energy: -105.829 bonds (distance) P-C4' energy: -111.275 flat angles C4'-P-C4' energy: -117.058 flat angles P-C4'-P energy: -81.780 tors. eta vs tors. theta energy: -160.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1772.131375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.131375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.131375 (E_RNA) where: Base-Base interactions energy: -1220.671 where: short stacking energy: -528.520 Base-Backbone interact. energy: -1.262 local terms energy: -550.199203 where: bonds (distance) C4'-P energy: -98.127 bonds (distance) P-C4' energy: -99.440 flat angles C4'-P-C4' energy: -118.582 flat angles P-C4'-P energy: -78.497 tors. eta vs tors. theta energy: -155.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1645.654986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.654986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.654986 (E_RNA) where: Base-Base interactions energy: -1139.131 where: short stacking energy: -481.047 Base-Backbone interact. energy: 5.695 local terms energy: -512.218377 where: bonds (distance) C4'-P energy: -99.858 bonds (distance) P-C4' energy: -106.492 flat angles C4'-P-C4' energy: -103.874 flat angles P-C4'-P energy: -71.852 tors. eta vs tors. theta energy: -130.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1541.886023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.886023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.886023 (E_RNA) where: Base-Base interactions energy: -1054.967 where: short stacking energy: -434.881 Base-Backbone interact. energy: -2.960 local terms energy: -483.958585 where: bonds (distance) C4'-P energy: -93.141 bonds (distance) P-C4' energy: -94.498 flat angles C4'-P-C4' energy: -114.850 flat angles P-C4'-P energy: -65.226 tors. eta vs tors. theta energy: -116.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1559.346974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.346974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.346974 (E_RNA) where: Base-Base interactions energy: -1053.864 where: short stacking energy: -474.140 Base-Backbone interact. energy: -0.301 local terms energy: -505.182154 where: bonds (distance) C4'-P energy: -96.006 bonds (distance) P-C4' energy: -96.751 flat angles C4'-P-C4' energy: -109.793 flat angles P-C4'-P energy: -61.394 tors. eta vs tors. theta energy: -141.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1270.505354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.505354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.505354 (E_RNA) where: Base-Base interactions energy: -831.771 where: short stacking energy: -373.374 Base-Backbone interact. energy: -0.374 local terms energy: -438.360272 where: bonds (distance) C4'-P energy: -117.514 bonds (distance) P-C4' energy: -81.774 flat angles C4'-P-C4' energy: -100.648 flat angles P-C4'-P energy: -64.310 tors. eta vs tors. theta energy: -74.114 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: 187 Temperature: 1.250000 Total energy: -1215.187389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.187389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.187389 (E_RNA) where: Base-Base interactions energy: -788.401 where: short stacking energy: -350.185 Base-Backbone interact. energy: 0.415 local terms energy: -427.200832 where: bonds (distance) C4'-P energy: -92.047 bonds (distance) P-C4' energy: -79.190 flat angles C4'-P-C4' energy: -109.683 flat angles P-C4'-P energy: -66.817 tors. eta vs tors. theta energy: -79.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -960.475281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.475281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.475281 (E_RNA) where: Base-Base interactions energy: -615.901 where: short stacking energy: -275.204 Base-Backbone interact. energy: -0.195 local terms energy: -344.379731 where: bonds (distance) C4'-P energy: -73.009 bonds (distance) P-C4' energy: -89.503 flat angles C4'-P-C4' energy: -88.276 flat angles P-C4'-P energy: -50.686 tors. eta vs tors. theta energy: -42.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -651.452614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.452614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.452614 (E_RNA) where: Base-Base interactions energy: -360.012 where: short stacking energy: -181.621 Base-Backbone interact. energy: 0.266 local terms energy: -291.706134 where: bonds (distance) C4'-P energy: -69.632 bonds (distance) P-C4' energy: -93.082 flat angles C4'-P-C4' energy: -78.808 flat angles P-C4'-P energy: -46.185 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1902.355373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.355373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.355373 (E_RNA) where: Base-Base interactions energy: -1315.346 where: short stacking energy: -574.706 Base-Backbone interact. energy: -6.148 local terms energy: -580.860784 where: bonds (distance) C4'-P energy: -102.411 bonds (distance) P-C4' energy: -109.519 flat angles C4'-P-C4' energy: -113.226 flat angles P-C4'-P energy: -86.150 tors. eta vs tors. theta energy: -169.555 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: 3 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1785.574116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.574116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.574116 (E_RNA) where: Base-Base interactions energy: -1227.224 where: short stacking energy: -490.561 Base-Backbone interact. energy: -2.705 local terms energy: -555.645447 where: bonds (distance) C4'-P energy: -100.956 bonds (distance) P-C4' energy: -118.944 flat angles C4'-P-C4' energy: -128.267 flat angles P-C4'-P energy: -70.328 tors. eta vs tors. theta energy: -137.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1819.440900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.440900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.440900 (E_RNA) where: Base-Base interactions energy: -1241.045 where: short stacking energy: -527.274 Base-Backbone interact. energy: -2.869 local terms energy: -575.527072 where: bonds (distance) C4'-P energy: -98.033 bonds (distance) P-C4' energy: -118.811 flat angles C4'-P-C4' energy: -114.832 flat angles P-C4'-P energy: -88.955 tors. eta vs tors. theta energy: -154.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1654.428584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.428584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.428584 (E_RNA) where: Base-Base interactions energy: -1155.682 where: short stacking energy: -471.307 Base-Backbone interact. energy: 2.063 local terms energy: -500.809867 where: bonds (distance) C4'-P energy: -96.479 bonds (distance) P-C4' energy: -110.242 flat angles C4'-P-C4' energy: -113.566 flat angles P-C4'-P energy: -56.868 tors. eta vs tors. theta energy: -123.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1580.557938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.557938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.557938 (E_RNA) where: Base-Base interactions energy: -1060.649 where: short stacking energy: -461.503 Base-Backbone interact. energy: -3.266 local terms energy: -516.642465 where: bonds (distance) C4'-P energy: -110.253 bonds (distance) P-C4' energy: -98.948 flat angles C4'-P-C4' energy: -111.375 flat angles P-C4'-P energy: -71.195 tors. eta vs tors. theta energy: -124.872 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: 6, replica: 10 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1481.450083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.450083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.450083 (E_RNA) where: Base-Base interactions energy: -998.959 where: short stacking energy: -416.605 Base-Backbone interact. energy: -1.691 local terms energy: -480.799801 where: bonds (distance) C4'-P energy: -102.384 bonds (distance) P-C4' energy: -85.811 flat angles C4'-P-C4' energy: -100.882 flat angles P-C4'-P energy: -76.976 tors. eta vs tors. theta energy: -114.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1272.191105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.191105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.191105 (E_RNA) where: Base-Base interactions energy: -864.547 where: short stacking energy: -354.547 Base-Backbone interact. energy: -1.634 local terms energy: -406.009562 where: bonds (distance) C4'-P energy: -81.625 bonds (distance) P-C4' energy: -83.439 flat angles C4'-P-C4' energy: -84.768 flat angles P-C4'-P energy: -68.738 tors. eta vs tors. theta energy: -87.439 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: 6 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1192.337787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.337787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.337787 (E_RNA) where: Base-Base interactions energy: -781.893 where: short stacking energy: -357.781 Base-Backbone interact. energy: -2.173 local terms energy: -408.271527 where: bonds (distance) C4'-P energy: -93.612 bonds (distance) P-C4' energy: -74.457 flat angles C4'-P-C4' energy: -99.874 flat angles P-C4'-P energy: -59.886 tors. eta vs tors. theta energy: -80.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1059.966308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.966308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.966308 (E_RNA) where: Base-Base interactions energy: -674.614 where: short stacking energy: -265.813 Base-Backbone interact. energy: -3.441 local terms energy: -381.911393 where: bonds (distance) C4'-P energy: -78.018 bonds (distance) P-C4' energy: -100.423 flat angles C4'-P-C4' energy: -82.575 flat angles P-C4'-P energy: -67.113 tors. eta vs tors. theta energy: -53.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -631.204547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.204547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.204547 (E_RNA) where: Base-Base interactions energy: -324.162 where: short stacking energy: -188.393 Base-Backbone interact. energy: 3.251 local terms energy: -310.293796 where: bonds (distance) C4'-P energy: -97.408 bonds (distance) P-C4' energy: -91.827 flat angles C4'-P-C4' energy: -65.839 flat angles P-C4'-P energy: -42.286 tors. eta vs tors. theta energy: -12.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1904.560705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.560705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.560705 (E_RNA) where: Base-Base interactions energy: -1313.244 where: short stacking energy: -572.006 Base-Backbone interact. energy: -0.009 local terms energy: -591.307718 where: bonds (distance) C4'-P energy: -99.823 bonds (distance) P-C4' energy: -103.520 flat angles C4'-P-C4' energy: -129.138 flat angles P-C4'-P energy: -89.702 tors. eta vs tors. theta energy: -169.125 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: 189 Temperature: 0.950000 Total energy: -1809.261792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.261792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.261792 (E_RNA) where: Base-Base interactions energy: -1233.615 where: short stacking energy: -525.154 Base-Backbone interact. energy: -4.642 local terms energy: -571.005326 where: bonds (distance) C4'-P energy: -101.299 bonds (distance) P-C4' energy: -104.152 flat angles C4'-P-C4' energy: -119.452 flat angles P-C4'-P energy: -84.879 tors. eta vs tors. theta energy: -161.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1738.092286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.092286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.092286 (E_RNA) where: Base-Base interactions energy: -1190.985 where: short stacking energy: -512.119 Base-Backbone interact. energy: -0.830 local terms energy: -546.277893 where: bonds (distance) C4'-P energy: -112.015 bonds (distance) P-C4' energy: -100.719 flat angles C4'-P-C4' energy: -114.518 flat angles P-C4'-P energy: -74.660 tors. eta vs tors. theta energy: -144.366 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: 1 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1634.535161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.535161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.535161 (E_RNA) where: Base-Base interactions energy: -1147.413 where: short stacking energy: -470.399 Base-Backbone interact. energy: -1.995 local terms energy: -485.126988 where: bonds (distance) C4'-P energy: -99.871 bonds (distance) P-C4' energy: -100.192 flat angles C4'-P-C4' energy: -104.508 flat angles P-C4'-P energy: -51.398 tors. eta vs tors. theta energy: -129.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1574.742208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.742208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.742208 (E_RNA) where: Base-Base interactions energy: -1070.905 where: short stacking energy: -467.879 Base-Backbone interact. energy: 2.472 local terms energy: -506.309605 where: bonds (distance) C4'-P energy: -86.910 bonds (distance) P-C4' energy: -105.687 flat angles C4'-P-C4' energy: -97.225 flat angles P-C4'-P energy: -83.198 tors. eta vs tors. theta energy: -133.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1494.752181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.752181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.752181 (E_RNA) where: Base-Base interactions energy: -1019.616 where: short stacking energy: -455.434 Base-Backbone interact. energy: -0.370 local terms energy: -474.766353 where: bonds (distance) C4'-P energy: -92.102 bonds (distance) P-C4' energy: -85.182 flat angles C4'-P-C4' energy: -115.880 flat angles P-C4'-P energy: -66.978 tors. eta vs tors. theta energy: -114.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1252.076135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.076135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.076135 (E_RNA) where: Base-Base interactions energy: -842.991 where: short stacking energy: -365.348 Base-Backbone interact. energy: -1.062 local terms energy: -408.022721 where: bonds (distance) C4'-P energy: -76.617 bonds (distance) P-C4' energy: -90.692 flat angles C4'-P-C4' energy: -100.834 flat angles P-C4'-P energy: -65.928 tors. eta vs tors. theta energy: -73.952 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: 6 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1243.772563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.772563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.772563 (E_RNA) where: Base-Base interactions energy: -835.094 where: short stacking energy: -376.636 Base-Backbone interact. energy: -1.604 local terms energy: -407.074742 where: bonds (distance) C4'-P energy: -78.422 bonds (distance) P-C4' energy: -94.349 flat angles C4'-P-C4' energy: -97.249 flat angles P-C4'-P energy: -58.452 tors. eta vs tors. theta energy: -78.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -998.395437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.395437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.395437 (E_RNA) where: Base-Base interactions energy: -635.761 where: short stacking energy: -279.883 Base-Backbone interact. energy: -5.617 local terms energy: -357.018147 where: bonds (distance) C4'-P energy: -78.529 bonds (distance) P-C4' energy: -97.370 flat angles C4'-P-C4' energy: -95.209 flat angles P-C4'-P energy: -46.429 tors. eta vs tors. theta energy: -39.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -557.561740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.561740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.561740 (E_RNA) where: Base-Base interactions energy: -283.527 where: short stacking energy: -168.186 Base-Backbone interact. energy: 2.306 local terms energy: -276.340827 where: bonds (distance) C4'-P energy: -68.866 bonds (distance) P-C4' energy: -66.439 flat angles C4'-P-C4' energy: -86.270 flat angles P-C4'-P energy: -67.973 tors. eta vs tors. theta energy: 13.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1925.474056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.474056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.474056 (E_RNA) where: Base-Base interactions energy: -1330.545 where: short stacking energy: -579.891 Base-Backbone interact. energy: -3.307 local terms energy: -591.622687 where: bonds (distance) C4'-P energy: -123.859 bonds (distance) P-C4' energy: -107.249 flat angles C4'-P-C4' energy: -114.147 flat angles P-C4'-P energy: -82.955 tors. eta vs tors. theta energy: -163.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1809.545035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.545035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.545035 (E_RNA) where: Base-Base interactions energy: -1248.615 where: short stacking energy: -544.231 Base-Backbone interact. energy: -2.792 local terms energy: -558.138115 where: bonds (distance) C4'-P energy: -98.803 bonds (distance) P-C4' energy: -99.710 flat angles C4'-P-C4' energy: -116.610 flat angles P-C4'-P energy: -81.984 tors. eta vs tors. theta energy: -161.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1749.570357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.570357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.570357 (E_RNA) where: Base-Base interactions energy: -1178.807 where: short stacking energy: -486.884 Base-Backbone interact. energy: -2.321 local terms energy: -568.442860 where: bonds (distance) C4'-P energy: -103.608 bonds (distance) P-C4' energy: -116.569 flat angles C4'-P-C4' energy: -123.328 flat angles P-C4'-P energy: -84.538 tors. eta vs tors. theta energy: -140.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1641.701889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.701889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.701889 (E_RNA) where: Base-Base interactions energy: -1136.411 where: short stacking energy: -461.394 Base-Backbone interact. energy: -0.447 local terms energy: -504.843390 where: bonds (distance) C4'-P energy: -113.605 bonds (distance) P-C4' energy: -91.778 flat angles C4'-P-C4' energy: -99.364 flat angles P-C4'-P energy: -75.407 tors. eta vs tors. theta energy: -124.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1595.925640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.925640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.925640 (E_RNA) where: Base-Base interactions energy: -1114.213 where: short stacking energy: -439.714 Base-Backbone interact. energy: 0.347 local terms energy: -482.059746 where: bonds (distance) C4'-P energy: -89.011 bonds (distance) P-C4' energy: -96.384 flat angles C4'-P-C4' energy: -104.003 flat angles P-C4'-P energy: -69.095 tors. eta vs tors. theta energy: -123.567 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: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1504.251061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.251061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.251061 (E_RNA) where: Base-Base interactions energy: -1014.036 where: short stacking energy: -419.315 Base-Backbone interact. energy: -1.348 local terms energy: -488.866669 where: bonds (distance) C4'-P energy: -107.064 bonds (distance) P-C4' energy: -103.272 flat angles C4'-P-C4' energy: -111.024 flat angles P-C4'-P energy: -55.656 tors. eta vs tors. theta energy: -111.850 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: 2 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1300.514393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.514393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.514393 (E_RNA) where: Base-Base interactions energy: -868.903 where: short stacking energy: -378.051 Base-Backbone interact. energy: -1.052 local terms energy: -430.559269 where: bonds (distance) C4'-P energy: -82.766 bonds (distance) P-C4' energy: -89.159 flat angles C4'-P-C4' energy: -101.581 flat angles P-C4'-P energy: -63.283 tors. eta vs tors. theta energy: -93.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1219.696965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.696965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.696965 (E_RNA) where: Base-Base interactions energy: -791.180 where: short stacking energy: -343.437 Base-Backbone interact. energy: 2.406 local terms energy: -430.922517 where: bonds (distance) C4'-P energy: -92.888 bonds (distance) P-C4' energy: -99.756 flat angles C4'-P-C4' energy: -98.900 flat angles P-C4'-P energy: -47.772 tors. eta vs tors. theta energy: -91.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -956.001916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.001916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.001916 (E_RNA) where: Base-Base interactions energy: -611.566 where: short stacking energy: -244.496 Base-Backbone interact. energy: 1.061 local terms energy: -345.496741 where: bonds (distance) C4'-P energy: -85.626 bonds (distance) P-C4' energy: -90.887 flat angles C4'-P-C4' energy: -84.476 flat angles P-C4'-P energy: -49.030 tors. eta vs tors. theta energy: -35.478 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: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -519.307891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.307891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.307891 (E_RNA) where: Base-Base interactions energy: -243.060 where: short stacking energy: -129.640 Base-Backbone interact. energy: 1.550 local terms energy: -277.797368 where: bonds (distance) C4'-P energy: -74.987 bonds (distance) P-C4' energy: -92.145 flat angles C4'-P-C4' energy: -78.375 flat angles P-C4'-P energy: -52.503 tors. eta vs tors. theta energy: 20.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1922.725107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.725107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.725107 (E_RNA) where: Base-Base interactions energy: -1323.597 where: short stacking energy: -589.917 Base-Backbone interact. energy: 0.584 local terms energy: -599.711504 where: bonds (distance) C4'-P energy: -107.782 bonds (distance) P-C4' energy: -102.704 flat angles C4'-P-C4' energy: -115.069 flat angles P-C4'-P energy: -93.867 tors. eta vs tors. theta energy: -180.289 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: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1819.879128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.879128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.879128 (E_RNA) where: Base-Base interactions energy: -1249.883 where: short stacking energy: -542.786 Base-Backbone interact. energy: -2.354 local terms energy: -567.641942 where: bonds (distance) C4'-P energy: -105.523 bonds (distance) P-C4' energy: -93.612 flat angles C4'-P-C4' energy: -128.217 flat angles P-C4'-P energy: -79.296 tors. eta vs tors. theta energy: -160.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1770.768717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.768717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.768717 (E_RNA) where: Base-Base interactions energy: -1225.795 where: short stacking energy: -523.534 Base-Backbone interact. energy: -2.320 local terms energy: -542.654060 where: bonds (distance) C4'-P energy: -103.829 bonds (distance) P-C4' energy: -100.978 flat angles C4'-P-C4' energy: -114.159 flat angles P-C4'-P energy: -77.961 tors. eta vs tors. theta energy: -145.727 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: 1 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1632.101653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.101653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.101653 (E_RNA) where: Base-Base interactions energy: -1131.504 where: short stacking energy: -464.819 Base-Backbone interact. energy: -1.577 local terms energy: -499.020670 where: bonds (distance) C4'-P energy: -102.956 bonds (distance) P-C4' energy: -97.016 flat angles C4'-P-C4' energy: -102.173 flat angles P-C4'-P energy: -77.852 tors. eta vs tors. theta energy: -119.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1550.768977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.768977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.768977 (E_RNA) where: Base-Base interactions energy: -1063.386 where: short stacking energy: -440.989 Base-Backbone interact. energy: -1.518 local terms energy: -485.865884 where: bonds (distance) C4'-P energy: -106.749 bonds (distance) P-C4' energy: -96.226 flat angles C4'-P-C4' energy: -112.375 flat angles P-C4'-P energy: -62.780 tors. eta vs tors. theta energy: -107.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1489.263255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.263255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.263255 (E_RNA) where: Base-Base interactions energy: -1005.317 where: short stacking energy: -435.676 Base-Backbone interact. energy: -1.535 local terms energy: -482.411760 where: bonds (distance) C4'-P energy: -85.610 bonds (distance) P-C4' energy: -99.608 flat angles C4'-P-C4' energy: -107.890 flat angles P-C4'-P energy: -71.760 tors. eta vs tors. theta energy: -117.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1268.722553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.722553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.722553 (E_RNA) where: Base-Base interactions energy: -840.965 where: short stacking energy: -354.265 Base-Backbone interact. energy: -3.191 local terms energy: -424.567066 where: bonds (distance) C4'-P energy: -97.667 bonds (distance) P-C4' energy: -79.497 flat angles C4'-P-C4' energy: -96.930 flat angles P-C4'-P energy: -61.493 tors. eta vs tors. theta energy: -88.981 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: 191 Temperature: 1.250000 Total energy: -1209.838754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.838754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.838754 (E_RNA) where: Base-Base interactions energy: -791.457 where: short stacking energy: -349.145 Base-Backbone interact. energy: -1.543 local terms energy: -416.838401 where: bonds (distance) C4'-P energy: -86.726 bonds (distance) P-C4' energy: -103.401 flat angles C4'-P-C4' energy: -94.865 flat angles P-C4'-P energy: -57.937 tors. eta vs tors. theta energy: -73.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -889.281552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.281552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.281552 (E_RNA) where: Base-Base interactions energy: -538.303 where: short stacking energy: -255.509 Base-Backbone interact. energy: -1.497 local terms energy: -349.481388 where: bonds (distance) C4'-P energy: -84.822 bonds (distance) P-C4' energy: -76.288 flat angles C4'-P-C4' energy: -97.854 flat angles P-C4'-P energy: -57.677 tors. eta vs tors. theta energy: -32.840 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: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -538.376089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.376089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.376089 (E_RNA) where: Base-Base interactions energy: -255.907 where: short stacking energy: -155.349 Base-Backbone interact. energy: -1.888 local terms energy: -280.581098 where: bonds (distance) C4'-P energy: -92.767 bonds (distance) P-C4' energy: -91.301 flat angles C4'-P-C4' energy: -62.105 flat angles P-C4'-P energy: -41.131 tors. eta vs tors. theta energy: 6.722 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: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1918.994960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.994960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.994960 (E_RNA) where: Base-Base interactions energy: -1325.291 where: short stacking energy: -556.018 Base-Backbone interact. energy: 0.198 local terms energy: -593.902530 where: bonds (distance) C4'-P energy: -114.688 bonds (distance) P-C4' energy: -104.819 flat angles C4'-P-C4' energy: -124.784 flat angles P-C4'-P energy: -80.298 tors. eta vs tors. theta energy: -169.312 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: 192 Temperature: 0.950000 Total energy: -1831.587233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.587233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.587233 (E_RNA) where: Base-Base interactions energy: -1257.920 where: short stacking energy: -575.359 Base-Backbone interact. energy: -2.824 local terms energy: -570.842521 where: bonds (distance) C4'-P energy: -88.037 bonds (distance) P-C4' energy: -103.559 flat angles C4'-P-C4' energy: -120.993 flat angles P-C4'-P energy: -94.577 tors. eta vs tors. theta energy: -163.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1741.315074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.315074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.315074 (E_RNA) where: Base-Base interactions energy: -1194.808 where: short stacking energy: -512.865 Base-Backbone interact. energy: -3.626 local terms energy: -542.881108 where: bonds (distance) C4'-P energy: -106.673 bonds (distance) P-C4' energy: -96.798 flat angles C4'-P-C4' energy: -124.909 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -138.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1646.823437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.823437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.823437 (E_RNA) where: Base-Base interactions energy: -1127.647 where: short stacking energy: -481.996 Base-Backbone interact. energy: -3.725 local terms energy: -515.451095 where: bonds (distance) C4'-P energy: -83.991 bonds (distance) P-C4' energy: -104.158 flat angles C4'-P-C4' energy: -115.765 flat angles P-C4'-P energy: -80.024 tors. eta vs tors. theta energy: -131.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1547.272443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.272443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.272443 (E_RNA) where: Base-Base interactions energy: -1054.751 where: short stacking energy: -445.292 Base-Backbone interact. energy: -0.047 local terms energy: -492.474470 where: bonds (distance) C4'-P energy: -101.168 bonds (distance) P-C4' energy: -100.412 flat angles C4'-P-C4' energy: -100.558 flat angles P-C4'-P energy: -69.058 tors. eta vs tors. theta energy: -121.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1540.812013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.812013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.812013 (E_RNA) where: Base-Base interactions energy: -1040.434 where: short stacking energy: -450.246 Base-Backbone interact. energy: -0.809 local terms energy: -499.569053 where: bonds (distance) C4'-P energy: -98.646 bonds (distance) P-C4' energy: -104.084 flat angles C4'-P-C4' energy: -108.268 flat angles P-C4'-P energy: -72.772 tors. eta vs tors. theta energy: -115.800 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: 7, replica: 6 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1284.812367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.812367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.812367 (E_RNA) where: Base-Base interactions energy: -838.640 where: short stacking energy: -386.412 Base-Backbone interact. energy: 1.124 local terms energy: -447.295865 where: bonds (distance) C4'-P energy: -93.630 bonds (distance) P-C4' energy: -97.867 flat angles C4'-P-C4' energy: -93.225 flat angles P-C4'-P energy: -69.287 tors. eta vs tors. theta energy: -93.287 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: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1240.184800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.184800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.184800 (E_RNA) where: Base-Base interactions energy: -827.912 where: short stacking energy: -365.719 Base-Backbone interact. energy: -3.030 local terms energy: -409.243498 where: bonds (distance) C4'-P energy: -73.488 bonds (distance) P-C4' energy: -87.775 flat angles C4'-P-C4' energy: -94.752 flat angles P-C4'-P energy: -59.292 tors. eta vs tors. theta energy: -93.936 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: 9 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -930.629933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.629933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.629933 (E_RNA) where: Base-Base interactions energy: -576.793 where: short stacking energy: -275.686 Base-Backbone interact. energy: -3.016 local terms energy: -350.821072 where: bonds (distance) C4'-P energy: -85.810 bonds (distance) P-C4' energy: -92.811 flat angles C4'-P-C4' energy: -86.399 flat angles P-C4'-P energy: -54.268 tors. eta vs tors. theta energy: -31.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -525.230290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.230290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.230290 (E_RNA) where: Base-Base interactions energy: -230.482 where: short stacking energy: -160.298 Base-Backbone interact. energy: 3.252 local terms energy: -298.000717 where: bonds (distance) C4'-P energy: -91.981 bonds (distance) P-C4' energy: -83.444 flat angles C4'-P-C4' energy: -94.878 flat angles P-C4'-P energy: -37.491 tors. eta vs tors. theta energy: 9.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1932.673287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.673287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.673287 (E_RNA) where: Base-Base interactions energy: -1357.510 where: short stacking energy: -593.067 Base-Backbone interact. energy: -0.417 local terms energy: -574.745794 where: bonds (distance) C4'-P energy: -103.846 bonds (distance) P-C4' energy: -89.770 flat angles C4'-P-C4' energy: -125.133 flat angles P-C4'-P energy: -80.982 tors. eta vs tors. theta energy: -175.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1852.119534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.119534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.119534 (E_RNA) where: Base-Base interactions energy: -1260.656 where: short stacking energy: -579.064 Base-Backbone interact. energy: -2.470 local terms energy: -588.994144 where: bonds (distance) C4'-P energy: -105.486 bonds (distance) P-C4' energy: -99.155 flat angles C4'-P-C4' energy: -130.645 flat angles P-C4'-P energy: -81.594 tors. eta vs tors. theta energy: -172.114 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: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1720.737051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.737051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.737051 (E_RNA) where: Base-Base interactions energy: -1173.955 where: short stacking energy: -487.893 Base-Backbone interact. energy: -3.015 local terms energy: -543.767744 where: bonds (distance) C4'-P energy: -95.539 bonds (distance) P-C4' energy: -102.449 flat angles C4'-P-C4' energy: -120.730 flat angles P-C4'-P energy: -79.065 tors. eta vs tors. theta energy: -145.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1656.141538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.141538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.141538 (E_RNA) where: Base-Base interactions energy: -1149.881 where: short stacking energy: -461.307 Base-Backbone interact. energy: -2.365 local terms energy: -503.895636 where: bonds (distance) C4'-P energy: -91.079 bonds (distance) P-C4' energy: -90.996 flat angles C4'-P-C4' energy: -114.352 flat angles P-C4'-P energy: -77.129 tors. eta vs tors. theta energy: -130.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1584.747424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.747424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.747424 (E_RNA) where: Base-Base interactions energy: -1070.994 where: short stacking energy: -467.063 Base-Backbone interact. energy: -1.138 local terms energy: -512.615718 where: bonds (distance) C4'-P energy: -86.092 bonds (distance) P-C4' energy: -97.328 flat angles C4'-P-C4' energy: -116.509 flat angles P-C4'-P energy: -80.618 tors. eta vs tors. theta energy: -132.069 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: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1531.825268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.825268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.825268 (E_RNA) where: Base-Base interactions energy: -1052.076 where: short stacking energy: -444.408 Base-Backbone interact. energy: -0.540 local terms energy: -479.208741 where: bonds (distance) C4'-P energy: -85.362 bonds (distance) P-C4' energy: -102.917 flat angles C4'-P-C4' energy: -113.220 flat angles P-C4'-P energy: -63.420 tors. eta vs tors. theta energy: -114.289 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: 193 Temperature: 1.200000 Total energy: -1312.731316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.731316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.731316 (E_RNA) where: Base-Base interactions energy: -876.278 where: short stacking energy: -374.352 Base-Backbone interact. energy: 0.322 local terms energy: -436.774891 where: bonds (distance) C4'-P energy: -102.758 bonds (distance) P-C4' energy: -88.509 flat angles C4'-P-C4' energy: -88.995 flat angles P-C4'-P energy: -66.546 tors. eta vs tors. theta energy: -89.968 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: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1222.709820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.709820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.709820 (E_RNA) where: Base-Base interactions energy: -809.362 where: short stacking energy: -340.740 Base-Backbone interact. energy: -1.675 local terms energy: -411.673117 where: bonds (distance) C4'-P energy: -87.359 bonds (distance) P-C4' energy: -83.694 flat angles C4'-P-C4' energy: -99.876 flat angles P-C4'-P energy: -66.445 tors. eta vs tors. theta energy: -74.299 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: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -868.162077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.162077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.162077 (E_RNA) where: Base-Base interactions energy: -524.842 where: short stacking energy: -254.406 Base-Backbone interact. energy: -0.629 local terms energy: -342.691490 where: bonds (distance) C4'-P energy: -84.001 bonds (distance) P-C4' energy: -81.590 flat angles C4'-P-C4' energy: -80.986 flat angles P-C4'-P energy: -51.944 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: 10, replica: 8 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -495.531215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.531215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.531215 (E_RNA) where: Base-Base interactions energy: -223.765 where: short stacking energy: -131.437 Base-Backbone interact. energy: -1.062 local terms energy: -270.704694 where: bonds (distance) C4'-P energy: -79.215 bonds (distance) P-C4' energy: -92.809 flat angles C4'-P-C4' energy: -76.976 flat angles P-C4'-P energy: -42.270 tors. eta vs tors. theta energy: 20.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1936.115547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.115547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.115547 (E_RNA) where: Base-Base interactions energy: -1331.119 where: short stacking energy: -574.828 Base-Backbone interact. energy: -1.319 local terms energy: -603.677396 where: bonds (distance) C4'-P energy: -100.933 bonds (distance) P-C4' energy: -119.772 flat angles C4'-P-C4' energy: -123.022 flat angles P-C4'-P energy: -86.928 tors. eta vs tors. theta energy: -173.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1866.650478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.650478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.650478 (E_RNA) where: Base-Base interactions energy: -1273.035 where: short stacking energy: -547.096 Base-Backbone interact. energy: -2.115 local terms energy: -591.500526 where: bonds (distance) C4'-P energy: -114.535 bonds (distance) P-C4' energy: -100.926 flat angles C4'-P-C4' energy: -134.556 flat angles P-C4'-P energy: -75.375 tors. eta vs tors. theta energy: -166.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1712.640196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.640196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.640196 (E_RNA) where: Base-Base interactions energy: -1182.270 where: short stacking energy: -503.215 Base-Backbone interact. energy: -3.572 local terms energy: -526.798447 where: bonds (distance) C4'-P energy: -100.068 bonds (distance) P-C4' energy: -105.538 flat angles C4'-P-C4' energy: -115.963 flat angles P-C4'-P energy: -73.505 tors. eta vs tors. theta energy: -131.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1645.136971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.136971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.136971 (E_RNA) where: Base-Base interactions energy: -1142.151 where: short stacking energy: -460.413 Base-Backbone interact. energy: -4.151 local terms energy: -498.835827 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -103.384 flat angles C4'-P-C4' energy: -112.960 flat angles P-C4'-P energy: -67.595 tors. eta vs tors. theta energy: -120.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1585.588004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.588004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.588004 (E_RNA) where: Base-Base interactions energy: -1090.227 where: short stacking energy: -428.060 Base-Backbone interact. energy: -1.497 local terms energy: -493.863579 where: bonds (distance) C4'-P energy: -97.591 bonds (distance) P-C4' energy: -102.510 flat angles C4'-P-C4' energy: -111.875 flat angles P-C4'-P energy: -69.790 tors. eta vs tors. theta energy: -112.097 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: 4 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1570.865715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.865715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.865715 (E_RNA) where: Base-Base interactions energy: -1073.752 where: short stacking energy: -451.237 Base-Backbone interact. energy: -3.013 local terms energy: -494.101431 where: bonds (distance) C4'-P energy: -89.687 bonds (distance) P-C4' energy: -105.768 flat angles C4'-P-C4' energy: -109.136 flat angles P-C4'-P energy: -57.664 tors. eta vs tors. theta energy: -131.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1325.333507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.333507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.333507 (E_RNA) where: Base-Base interactions energy: -887.091 where: short stacking energy: -384.725 Base-Backbone interact. energy: -1.229 local terms energy: -437.013341 where: bonds (distance) C4'-P energy: -91.555 bonds (distance) P-C4' energy: -87.061 flat angles C4'-P-C4' energy: -104.491 flat angles P-C4'-P energy: -56.715 tors. eta vs tors. theta energy: -97.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1196.208641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.208641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.208641 (E_RNA) where: Base-Base interactions energy: -792.889 where: short stacking energy: -334.987 Base-Backbone interact. energy: 0.628 local terms energy: -403.948153 where: bonds (distance) C4'-P energy: -90.121 bonds (distance) P-C4' energy: -88.752 flat angles C4'-P-C4' energy: -95.654 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -78.225 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: 194 Temperature: 1.300000 Total energy: -892.413936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.413936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.413936 (E_RNA) where: Base-Base interactions energy: -535.708 where: short stacking energy: -239.995 Base-Backbone interact. energy: 0.531 local terms energy: -357.237018 where: bonds (distance) C4'-P energy: -98.877 bonds (distance) P-C4' energy: -89.942 flat angles C4'-P-C4' energy: -87.311 flat angles P-C4'-P energy: -46.230 tors. eta vs tors. theta energy: -34.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -557.413151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.413151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.413151 (E_RNA) where: Base-Base interactions energy: -248.118 where: short stacking energy: -164.361 Base-Backbone interact. energy: 0.465 local terms energy: -309.760298 where: bonds (distance) C4'-P energy: -84.164 bonds (distance) P-C4' energy: -112.837 flat angles C4'-P-C4' energy: -82.831 flat angles P-C4'-P energy: -49.867 tors. eta vs tors. theta energy: 19.938 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: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1914.804412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.804412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.804412 (E_RNA) where: Base-Base interactions energy: -1302.867 where: short stacking energy: -552.496 Base-Backbone interact. energy: -2.242 local terms energy: -609.694894 where: bonds (distance) C4'-P energy: -119.401 bonds (distance) P-C4' energy: -113.244 flat angles C4'-P-C4' energy: -120.767 flat angles P-C4'-P energy: -85.317 tors. eta vs tors. theta energy: -170.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1858.841487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.841487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.841487 (E_RNA) where: Base-Base interactions energy: -1273.864 where: short stacking energy: -571.099 Base-Backbone interact. energy: -3.015 local terms energy: -581.962873 where: bonds (distance) C4'-P energy: -104.765 bonds (distance) P-C4' energy: -110.334 flat angles C4'-P-C4' energy: -123.779 flat angles P-C4'-P energy: -80.251 tors. eta vs tors. theta energy: -162.835 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: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1720.245883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.245883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.245883 (E_RNA) where: Base-Base interactions energy: -1180.140 where: short stacking energy: -477.833 Base-Backbone interact. energy: -3.733 local terms energy: -536.373274 where: bonds (distance) C4'-P energy: -94.703 bonds (distance) P-C4' energy: -118.446 flat angles C4'-P-C4' energy: -120.711 flat angles P-C4'-P energy: -68.394 tors. eta vs tors. theta energy: -134.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1632.987135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.987135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.987135 (E_RNA) where: Base-Base interactions energy: -1106.775 where: short stacking energy: -467.134 Base-Backbone interact. energy: -0.213 local terms energy: -525.999667 where: bonds (distance) C4'-P energy: -87.126 bonds (distance) P-C4' energy: -116.692 flat angles C4'-P-C4' energy: -113.153 flat angles P-C4'-P energy: -89.472 tors. eta vs tors. theta energy: -119.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1570.261495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.261495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.261495 (E_RNA) where: Base-Base interactions energy: -1063.901 where: short stacking energy: -454.215 Base-Backbone interact. energy: -0.249 local terms energy: -506.112093 where: bonds (distance) C4'-P energy: -94.842 bonds (distance) P-C4' energy: -99.400 flat angles C4'-P-C4' energy: -116.177 flat angles P-C4'-P energy: -77.790 tors. eta vs tors. theta energy: -117.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1522.820465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.820465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.820465 (E_RNA) where: Base-Base interactions energy: -1055.364 where: short stacking energy: -450.522 Base-Backbone interact. energy: 0.246 local terms energy: -467.701749 where: bonds (distance) C4'-P energy: -77.235 bonds (distance) P-C4' energy: -99.479 flat angles C4'-P-C4' energy: -108.226 flat angles P-C4'-P energy: -65.633 tors. eta vs tors. theta energy: -117.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1313.763617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.763617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.763617 (E_RNA) where: Base-Base interactions energy: -867.125 where: short stacking energy: -373.847 Base-Backbone interact. energy: -1.442 local terms energy: -445.195966 where: bonds (distance) C4'-P energy: -92.877 bonds (distance) P-C4' energy: -99.149 flat angles C4'-P-C4' energy: -86.302 flat angles P-C4'-P energy: -73.749 tors. eta vs tors. theta energy: -93.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1194.592794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.592794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.592794 (E_RNA) where: Base-Base interactions energy: -837.682 where: short stacking energy: -364.282 Base-Backbone interact. energy: 5.538 local terms energy: -362.448673 where: bonds (distance) C4'-P energy: -90.628 bonds (distance) P-C4' energy: -80.925 flat angles C4'-P-C4' energy: -79.796 flat angles P-C4'-P energy: -32.952 tors. eta vs tors. theta energy: -78.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -918.742717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.742717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.742717 (E_RNA) where: Base-Base interactions energy: -576.437 where: short stacking energy: -256.470 Base-Backbone interact. energy: 0.829 local terms energy: -343.134323 where: bonds (distance) C4'-P energy: -101.798 bonds (distance) P-C4' energy: -58.659 flat angles C4'-P-C4' energy: -89.825 flat angles P-C4'-P energy: -56.109 tors. eta vs tors. theta energy: -36.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -498.801819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.801819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.801819 (E_RNA) where: Base-Base interactions energy: -232.797 where: short stacking energy: -139.006 Base-Backbone interact. energy: -4.145 local terms energy: -261.860355 where: bonds (distance) C4'-P energy: -86.239 bonds (distance) P-C4' energy: -89.123 flat angles C4'-P-C4' energy: -70.645 flat angles P-C4'-P energy: -38.900 tors. eta vs tors. theta energy: 23.047 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: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1948.894703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.894703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.894703 (E_RNA) where: Base-Base interactions energy: -1350.955 where: short stacking energy: -585.936 Base-Backbone interact. energy: -1.755 local terms energy: -596.184486 where: bonds (distance) C4'-P energy: -106.980 bonds (distance) P-C4' energy: -105.738 flat angles C4'-P-C4' energy: -118.617 flat angles P-C4'-P energy: -84.128 tors. eta vs tors. theta energy: -180.721 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: 196 Temperature: 0.950000 Total energy: -1838.124514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.124514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.124514 (E_RNA) where: Base-Base interactions energy: -1235.170 where: short stacking energy: -544.661 Base-Backbone interact. energy: -4.886 local terms energy: -598.069010 where: bonds (distance) C4'-P energy: -104.541 bonds (distance) P-C4' energy: -106.938 flat angles C4'-P-C4' energy: -127.456 flat angles P-C4'-P energy: -89.200 tors. eta vs tors. theta energy: -169.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1724.384901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.384901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.384901 (E_RNA) where: Base-Base interactions energy: -1192.730 where: short stacking energy: -525.531 Base-Backbone interact. energy: -0.231 local terms energy: -531.423310 where: bonds (distance) C4'-P energy: -82.663 bonds (distance) P-C4' energy: -114.939 flat angles C4'-P-C4' energy: -111.860 flat angles P-C4'-P energy: -81.471 tors. eta vs tors. theta energy: -140.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1641.523700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.523700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.523700 (E_RNA) where: Base-Base interactions energy: -1130.509 where: short stacking energy: -488.126 Base-Backbone interact. energy: -1.082 local terms energy: -509.933396 where: bonds (distance) C4'-P energy: -101.367 bonds (distance) P-C4' energy: -100.934 flat angles C4'-P-C4' energy: -103.263 flat angles P-C4'-P energy: -72.763 tors. eta vs tors. theta energy: -131.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1581.810825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.810825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.810825 (E_RNA) where: Base-Base interactions energy: -1079.362 where: short stacking energy: -453.711 Base-Backbone interact. energy: -1.747 local terms energy: -500.702106 where: bonds (distance) C4'-P energy: -94.788 bonds (distance) P-C4' energy: -92.457 flat angles C4'-P-C4' energy: -109.051 flat angles P-C4'-P energy: -61.390 tors. eta vs tors. theta energy: -143.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1546.206991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.206991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.206991 (E_RNA) where: Base-Base interactions energy: -1046.268 where: short stacking energy: -451.519 Base-Backbone interact. energy: -2.491 local terms energy: -497.447596 where: bonds (distance) C4'-P energy: -97.486 bonds (distance) P-C4' energy: -103.022 flat angles C4'-P-C4' energy: -99.877 flat angles P-C4'-P energy: -79.457 tors. eta vs tors. theta energy: -117.606 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: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1321.875408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.875408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.875408 (E_RNA) where: Base-Base interactions energy: -881.556 where: short stacking energy: -396.835 Base-Backbone interact. energy: 2.475 local terms energy: -442.794121 where: bonds (distance) C4'-P energy: -86.886 bonds (distance) P-C4' energy: -91.926 flat angles C4'-P-C4' energy: -98.966 flat angles P-C4'-P energy: -61.858 tors. eta vs tors. theta energy: -103.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1254.885074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.885074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.885074 (E_RNA) where: Base-Base interactions energy: -836.383 where: short stacking energy: -364.815 Base-Backbone interact. energy: 2.934 local terms energy: -421.436162 where: bonds (distance) C4'-P energy: -78.984 bonds (distance) P-C4' energy: -83.302 flat angles C4'-P-C4' energy: -110.289 flat angles P-C4'-P energy: -61.674 tors. eta vs tors. theta energy: -87.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -977.243715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.243715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.243715 (E_RNA) where: Base-Base interactions energy: -622.027 where: short stacking energy: -286.513 Base-Backbone interact. energy: -0.574 local terms energy: -354.642944 where: bonds (distance) C4'-P energy: -76.490 bonds (distance) P-C4' energy: -78.759 flat angles C4'-P-C4' energy: -85.855 flat angles P-C4'-P energy: -63.840 tors. eta vs tors. theta energy: -49.698 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: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -494.053945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.053945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.053945 (E_RNA) where: Base-Base interactions energy: -204.232 where: short stacking energy: -130.169 Base-Backbone interact. energy: 2.168 local terms energy: -291.989585 where: bonds (distance) C4'-P energy: -83.117 bonds (distance) P-C4' energy: -101.139 flat angles C4'-P-C4' energy: -84.679 flat angles P-C4'-P energy: -40.664 tors. eta vs tors. theta energy: 17.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1930.550218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.550218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.550218 (E_RNA) where: Base-Base interactions energy: -1325.529 where: short stacking energy: -572.027 Base-Backbone interact. energy: -2.921 local terms energy: -602.100692 where: bonds (distance) C4'-P energy: -102.713 bonds (distance) P-C4' energy: -110.270 flat angles C4'-P-C4' energy: -135.568 flat angles P-C4'-P energy: -77.190 tors. eta vs tors. theta energy: -176.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1822.403223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.403223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.403223 (E_RNA) where: Base-Base interactions energy: -1234.669 where: short stacking energy: -550.651 Base-Backbone interact. energy: -2.639 local terms energy: -585.095156 where: bonds (distance) C4'-P energy: -99.983 bonds (distance) P-C4' energy: -115.809 flat angles C4'-P-C4' energy: -118.633 flat angles P-C4'-P energy: -84.849 tors. eta vs tors. theta energy: -165.821 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: 3, replica: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1710.354527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.354527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.354527 (E_RNA) where: Base-Base interactions energy: -1160.478 where: short stacking energy: -474.359 Base-Backbone interact. energy: -3.415 local terms energy: -546.461387 where: bonds (distance) C4'-P energy: -109.845 bonds (distance) P-C4' energy: -106.279 flat angles C4'-P-C4' energy: -117.839 flat angles P-C4'-P energy: -83.294 tors. eta vs tors. theta energy: -129.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1657.928125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.928125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.928125 (E_RNA) where: Base-Base interactions energy: -1140.445 where: short stacking energy: -491.027 Base-Backbone interact. energy: -2.234 local terms energy: -515.249655 where: bonds (distance) C4'-P energy: -105.695 bonds (distance) P-C4' energy: -84.826 flat angles C4'-P-C4' energy: -112.673 flat angles P-C4'-P energy: -70.675 tors. eta vs tors. theta energy: -141.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1583.981413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.981413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.981413 (E_RNA) where: Base-Base interactions energy: -1100.635 where: short stacking energy: -473.131 Base-Backbone interact. energy: -3.715 local terms energy: -479.630719 where: bonds (distance) C4'-P energy: -94.709 bonds (distance) P-C4' energy: -98.389 flat angles C4'-P-C4' energy: -96.648 flat angles P-C4'-P energy: -63.272 tors. eta vs tors. theta energy: -126.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1537.107982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.107982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.107982 (E_RNA) where: Base-Base interactions energy: -1043.204 where: short stacking energy: -426.064 Base-Backbone interact. energy: -3.631 local terms energy: -490.273321 where: bonds (distance) C4'-P energy: -98.366 bonds (distance) P-C4' energy: -100.974 flat angles C4'-P-C4' energy: -108.689 flat angles P-C4'-P energy: -65.843 tors. eta vs tors. theta energy: -116.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1251.332599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.332599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.332599 (E_RNA) where: Base-Base interactions energy: -819.973 where: short stacking energy: -345.961 Base-Backbone interact. energy: -2.398 local terms energy: -428.961803 where: bonds (distance) C4'-P energy: -85.510 bonds (distance) P-C4' energy: -103.509 flat angles C4'-P-C4' energy: -89.862 flat angles P-C4'-P energy: -69.839 tors. eta vs tors. theta energy: -80.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1298.994335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.994335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.994335 (E_RNA) where: Base-Base interactions energy: -862.949 where: short stacking energy: -353.629 Base-Backbone interact. energy: -0.937 local terms energy: -435.108943 where: bonds (distance) C4'-P energy: -101.705 bonds (distance) P-C4' energy: -95.576 flat angles C4'-P-C4' energy: -114.221 flat angles P-C4'-P energy: -50.862 tors. eta vs tors. theta energy: -72.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -968.024891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.024891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.024891 (E_RNA) where: Base-Base interactions energy: -591.668 where: short stacking energy: -271.581 Base-Backbone interact. energy: 0.505 local terms energy: -376.861517 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -87.638 flat angles C4'-P-C4' energy: -89.951 flat angles P-C4'-P energy: -46.010 tors. eta vs tors. theta energy: -61.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -512.430613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.430613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.430613 (E_RNA) where: Base-Base interactions energy: -243.197 where: short stacking energy: -165.004 Base-Backbone interact. energy: 4.118 local terms energy: -273.351752 where: bonds (distance) C4'-P energy: -77.357 bonds (distance) P-C4' energy: -82.194 flat angles C4'-P-C4' energy: -72.456 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: 5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1917.421205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.421205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.421205 (E_RNA) where: Base-Base interactions energy: -1319.512 where: short stacking energy: -573.870 Base-Backbone interact. energy: -1.233 local terms energy: -596.676112 where: bonds (distance) C4'-P energy: -116.726 bonds (distance) P-C4' energy: -106.633 flat angles C4'-P-C4' energy: -122.318 flat angles P-C4'-P energy: -84.834 tors. eta vs tors. theta energy: -166.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1821.673387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.673387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.673387 (E_RNA) where: Base-Base interactions energy: -1244.903 where: short stacking energy: -544.199 Base-Backbone interact. energy: -3.815 local terms energy: -572.955231 where: bonds (distance) C4'-P energy: -105.203 bonds (distance) P-C4' energy: -105.043 flat angles C4'-P-C4' energy: -120.390 flat angles P-C4'-P energy: -76.147 tors. eta vs tors. theta energy: -166.172 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: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1738.656244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.656244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.656244 (E_RNA) where: Base-Base interactions energy: -1191.857 where: short stacking energy: -503.934 Base-Backbone interact. energy: -2.889 local terms energy: -543.910411 where: bonds (distance) C4'-P energy: -107.075 bonds (distance) P-C4' energy: -115.574 flat angles C4'-P-C4' energy: -108.175 flat angles P-C4'-P energy: -79.448 tors. eta vs tors. theta energy: -133.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1616.837629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.837629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.837629 (E_RNA) where: Base-Base interactions energy: -1077.910 where: short stacking energy: -449.440 Base-Backbone interact. energy: 2.707 local terms energy: -541.634990 where: bonds (distance) C4'-P energy: -101.783 bonds (distance) P-C4' energy: -114.343 flat angles C4'-P-C4' energy: -123.047 flat angles P-C4'-P energy: -72.771 tors. eta vs tors. theta energy: -129.692 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: 5, replica: 10 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1566.383595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.383595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.383595 (E_RNA) where: Base-Base interactions energy: -1070.883 where: short stacking energy: -438.011 Base-Backbone interact. energy: -0.973 local terms energy: -494.527572 where: bonds (distance) C4'-P energy: -108.889 bonds (distance) P-C4' energy: -105.870 flat angles C4'-P-C4' energy: -98.392 flat angles P-C4'-P energy: -62.755 tors. eta vs tors. theta energy: -118.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1548.941971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.941971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.941971 (E_RNA) where: Base-Base interactions energy: -1074.358 where: short stacking energy: -441.131 Base-Backbone interact. energy: -2.186 local terms energy: -472.398287 where: bonds (distance) C4'-P energy: -92.175 bonds (distance) P-C4' energy: -91.374 flat angles C4'-P-C4' energy: -113.434 flat angles P-C4'-P energy: -54.388 tors. eta vs tors. theta energy: -121.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1311.015548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.015548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.015548 (E_RNA) where: Base-Base interactions energy: -878.113 where: short stacking energy: -376.470 Base-Backbone interact. energy: -1.131 local terms energy: -431.771677 where: bonds (distance) C4'-P energy: -76.692 bonds (distance) P-C4' energy: -93.371 flat angles C4'-P-C4' energy: -111.517 flat angles P-C4'-P energy: -54.905 tors. eta vs tors. theta energy: -95.287 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: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1185.834567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.834567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.834567 (E_RNA) where: Base-Base interactions energy: -789.087 where: short stacking energy: -334.729 Base-Backbone interact. energy: -0.994 local terms energy: -395.753198 where: bonds (distance) C4'-P energy: -67.601 bonds (distance) P-C4' energy: -99.096 flat angles C4'-P-C4' energy: -88.470 flat angles P-C4'-P energy: -65.179 tors. eta vs tors. theta energy: -75.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -914.522183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.522183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.522183 (E_RNA) where: Base-Base interactions energy: -551.898 where: short stacking energy: -263.032 Base-Backbone interact. energy: -2.646 local terms energy: -359.977911 where: bonds (distance) C4'-P energy: -81.160 bonds (distance) P-C4' energy: -91.653 flat angles C4'-P-C4' energy: -85.433 flat angles P-C4'-P energy: -69.755 tors. eta vs tors. theta energy: -31.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -507.572911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.572911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.572911 (E_RNA) where: Base-Base interactions energy: -216.124 where: short stacking energy: -139.388 Base-Backbone interact. energy: -1.457 local terms energy: -289.992025 where: bonds (distance) C4'-P energy: -89.997 bonds (distance) P-C4' energy: -93.149 flat angles C4'-P-C4' energy: -77.940 flat angles P-C4'-P energy: -43.536 tors. eta vs tors. theta energy: 14.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1915.380543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.380543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.380543 (E_RNA) where: Base-Base interactions energy: -1325.548 where: short stacking energy: -562.813 Base-Backbone interact. energy: -1.800 local terms energy: -588.033040 where: bonds (distance) C4'-P energy: -91.838 bonds (distance) P-C4' energy: -125.062 flat angles C4'-P-C4' energy: -123.587 flat angles P-C4'-P energy: -79.595 tors. eta vs tors. theta energy: -167.951 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: 199 Temperature: 0.950000 Total energy: -1865.890825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.890825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.890825 (E_RNA) where: Base-Base interactions energy: -1278.482 where: short stacking energy: -563.491 Base-Backbone interact. energy: -2.436 local terms energy: -584.972355 where: bonds (distance) C4'-P energy: -104.851 bonds (distance) P-C4' energy: -103.871 flat angles C4'-P-C4' energy: -122.089 flat angles P-C4'-P energy: -82.662 tors. eta vs tors. theta energy: -171.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1712.779047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.779047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.779047 (E_RNA) where: Base-Base interactions energy: -1174.505 where: short stacking energy: -505.076 Base-Backbone interact. energy: -0.962 local terms energy: -537.311532 where: bonds (distance) C4'-P energy: -104.954 bonds (distance) P-C4' energy: -101.921 flat angles C4'-P-C4' energy: -111.015 flat angles P-C4'-P energy: -83.604 tors. eta vs tors. theta energy: -135.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1651.035472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.035472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.035472 (E_RNA) where: Base-Base interactions energy: -1157.143 where: short stacking energy: -490.580 Base-Backbone interact. energy: 1.916 local terms energy: -495.808873 where: bonds (distance) C4'-P energy: -92.467 bonds (distance) P-C4' energy: -90.256 flat angles C4'-P-C4' energy: -113.322 flat angles P-C4'-P energy: -69.691 tors. eta vs tors. theta energy: -130.074 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: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1560.858674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.858674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.858674 (E_RNA) where: Base-Base interactions energy: -1064.316 where: short stacking energy: -455.896 Base-Backbone interact. energy: 0.414 local terms energy: -496.956987 where: bonds (distance) C4'-P energy: -88.313 bonds (distance) P-C4' energy: -102.875 flat angles C4'-P-C4' energy: -105.168 flat angles P-C4'-P energy: -70.844 tors. eta vs tors. theta energy: -129.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1596.752516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.752516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.752516 (E_RNA) where: Base-Base interactions energy: -1099.877 where: short stacking energy: -449.932 Base-Backbone interact. energy: -3.841 local terms energy: -493.034250 where: bonds (distance) C4'-P energy: -92.789 bonds (distance) P-C4' energy: -93.433 flat angles C4'-P-C4' energy: -115.892 flat angles P-C4'-P energy: -67.607 tors. eta vs tors. theta energy: -123.313 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: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1316.769315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.769315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.769315 (E_RNA) where: Base-Base interactions energy: -840.633 where: short stacking energy: -372.118 Base-Backbone interact. energy: -1.374 local terms energy: -474.762162 where: bonds (distance) C4'-P energy: -102.182 bonds (distance) P-C4' energy: -106.773 flat angles C4'-P-C4' energy: -93.122 flat angles P-C4'-P energy: -75.568 tors. eta vs tors. theta energy: -97.116 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: 8, replica: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1184.070134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.070134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.070134 (E_RNA) where: Base-Base interactions energy: -795.246 where: short stacking energy: -346.046 Base-Backbone interact. energy: -0.743 local terms energy: -388.080557 where: bonds (distance) C4'-P energy: -89.760 bonds (distance) P-C4' energy: -103.578 flat angles C4'-P-C4' energy: -83.440 flat angles P-C4'-P energy: -46.359 tors. eta vs tors. theta energy: -64.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -952.787097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.787097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.787097 (E_RNA) where: Base-Base interactions energy: -571.468 where: short stacking energy: -287.614 Base-Backbone interact. energy: -3.690 local terms energy: -377.629147 where: bonds (distance) C4'-P energy: -88.044 bonds (distance) P-C4' energy: -102.673 flat angles C4'-P-C4' energy: -73.605 flat angles P-C4'-P energy: -61.299 tors. eta vs tors. theta energy: -52.008 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: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -536.143404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.143404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.143404 (E_RNA) where: Base-Base interactions energy: -269.592 where: short stacking energy: -156.086 Base-Backbone interact. energy: 2.846 local terms energy: -269.397589 where: bonds (distance) C4'-P energy: -71.613 bonds (distance) P-C4' energy: -90.033 flat angles C4'-P-C4' energy: -68.849 flat angles P-C4'-P energy: -45.100 tors. eta vs tors. theta energy: 6.197 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: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1932.631211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.631211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.631211 (E_RNA) where: Base-Base interactions energy: -1326.547 where: short stacking energy: -588.352 Base-Backbone interact. energy: -1.748 local terms energy: -604.335491 where: bonds (distance) C4'-P energy: -106.823 bonds (distance) P-C4' energy: -114.267 flat angles C4'-P-C4' energy: -127.449 flat angles P-C4'-P energy: -77.703 tors. eta vs tors. theta energy: -178.094 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: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1852.417272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.417272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.417272 (E_RNA) where: Base-Base interactions energy: -1280.432 where: short stacking energy: -548.740 Base-Backbone interact. energy: 2.055 local terms energy: -574.040996 where: bonds (distance) C4'-P energy: -110.426 bonds (distance) P-C4' energy: -117.133 flat angles C4'-P-C4' energy: -116.883 flat angles P-C4'-P energy: -71.009 tors. eta vs tors. theta energy: -158.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1741.413163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.413163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.413163 (E_RNA) where: Base-Base interactions energy: -1190.750 where: short stacking energy: -515.572 Base-Backbone interact. energy: -2.033 local terms energy: -548.629787 where: bonds (distance) C4'-P energy: -95.462 bonds (distance) P-C4' energy: -105.787 flat angles C4'-P-C4' energy: -117.858 flat angles P-C4'-P energy: -82.108 tors. eta vs tors. theta energy: -147.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1703.781538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.781538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.781538 (E_RNA) where: Base-Base interactions energy: -1167.391 where: short stacking energy: -478.136 Base-Backbone interact. energy: -1.021 local terms energy: -535.369983 where: bonds (distance) C4'-P energy: -103.460 bonds (distance) P-C4' energy: -99.816 flat angles C4'-P-C4' energy: -115.761 flat angles P-C4'-P energy: -75.520 tors. eta vs tors. theta energy: -140.813 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: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1609.605392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.605392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.605392 (E_RNA) where: Base-Base interactions energy: -1128.433 where: short stacking energy: -462.350 Base-Backbone interact. energy: -3.366 local terms energy: -477.806356 where: bonds (distance) C4'-P energy: -84.413 bonds (distance) P-C4' energy: -93.961 flat angles C4'-P-C4' energy: -97.113 flat angles P-C4'-P energy: -77.096 tors. eta vs tors. theta energy: -125.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1554.124990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.124990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.124990 (E_RNA) where: Base-Base interactions energy: -1056.292 where: short stacking energy: -442.885 Base-Backbone interact. energy: -2.117 local terms energy: -495.715280 where: bonds (distance) C4'-P energy: -92.124 bonds (distance) P-C4' energy: -97.554 flat angles C4'-P-C4' energy: -105.953 flat angles P-C4'-P energy: -76.044 tors. eta vs tors. theta energy: -124.040 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: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1307.787091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.787091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.787091 (E_RNA) where: Base-Base interactions energy: -841.102 where: short stacking energy: -386.886 Base-Backbone interact. energy: -1.850 local terms energy: -464.834431 where: bonds (distance) C4'-P energy: -89.926 bonds (distance) P-C4' energy: -110.164 flat angles C4'-P-C4' energy: -98.245 flat angles P-C4'-P energy: -63.424 tors. eta vs tors. theta energy: -103.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1246.597286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.597286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.597286 (E_RNA) where: Base-Base interactions energy: -847.554 where: short stacking energy: -358.098 Base-Backbone interact. energy: 2.643 local terms energy: -401.686085 where: bonds (distance) C4'-P energy: -95.738 bonds (distance) P-C4' energy: -89.781 flat angles C4'-P-C4' energy: -82.721 flat angles P-C4'-P energy: -58.246 tors. eta vs tors. theta energy: -75.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1004.400658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.400658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.400658 (E_RNA) where: Base-Base interactions energy: -629.132 where: short stacking energy: -288.311 Base-Backbone interact. energy: -3.121 local terms energy: -372.147937 where: bonds (distance) C4'-P energy: -100.204 bonds (distance) P-C4' energy: -82.946 flat angles C4'-P-C4' energy: -92.871 flat angles P-C4'-P energy: -43.378 tors. eta vs tors. theta energy: -52.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -528.844573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.844573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.844573 (E_RNA) where: Base-Base interactions energy: -250.575 where: short stacking energy: -159.955 Base-Backbone interact. energy: 0.828 local terms energy: -279.098035 where: bonds (distance) C4'-P energy: -80.934 bonds (distance) P-C4' energy: -91.777 flat angles C4'-P-C4' energy: -62.968 flat angles P-C4'-P energy: -50.195 tors. eta vs tors. theta energy: 6.776 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: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1943.483148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.483148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.483148 (E_RNA) where: Base-Base interactions energy: -1354.710 where: short stacking energy: -598.659 Base-Backbone interact. energy: -4.544 local terms energy: -584.229184 where: bonds (distance) C4'-P energy: -95.859 bonds (distance) P-C4' energy: -107.751 flat angles C4'-P-C4' energy: -124.722 flat angles P-C4'-P energy: -83.492 tors. eta vs tors. theta energy: -172.405 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: 2, replica: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1860.493700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.493700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.493700 (E_RNA) where: Base-Base interactions energy: -1251.066 where: short stacking energy: -533.689 Base-Backbone interact. energy: -3.519 local terms energy: -605.907916 where: bonds (distance) C4'-P energy: -118.413 bonds (distance) P-C4' energy: -111.952 flat angles C4'-P-C4' energy: -127.982 flat angles P-C4'-P energy: -82.728 tors. eta vs tors. theta energy: -164.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1746.366320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.366320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.366320 (E_RNA) where: Base-Base interactions energy: -1200.373 where: short stacking energy: -516.609 Base-Backbone interact. energy: 0.411 local terms energy: -546.404794 where: bonds (distance) C4'-P energy: -100.022 bonds (distance) P-C4' energy: -106.965 flat angles C4'-P-C4' energy: -117.785 flat angles P-C4'-P energy: -83.114 tors. eta vs tors. theta energy: -138.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1670.091121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.091121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.091121 (E_RNA) where: Base-Base interactions energy: -1163.464 where: short stacking energy: -490.199 Base-Backbone interact. energy: -2.221 local terms energy: -504.406058 where: bonds (distance) C4'-P energy: -82.410 bonds (distance) P-C4' energy: -106.995 flat angles C4'-P-C4' energy: -110.731 flat angles P-C4'-P energy: -75.201 tors. eta vs tors. theta energy: -129.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1605.254786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.254786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.254786 (E_RNA) where: Base-Base interactions energy: -1102.823 where: short stacking energy: -458.767 Base-Backbone interact. energy: -3.545 local terms energy: -498.886520 where: bonds (distance) C4'-P energy: -94.098 bonds (distance) P-C4' energy: -106.286 flat angles C4'-P-C4' energy: -110.229 flat angles P-C4'-P energy: -67.876 tors. eta vs tors. theta energy: -120.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1582.372940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.372940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.372940 (E_RNA) where: Base-Base interactions energy: -1065.803 where: short stacking energy: -446.112 Base-Backbone interact. energy: -0.883 local terms energy: -515.686556 where: bonds (distance) C4'-P energy: -102.971 bonds (distance) P-C4' energy: -100.947 flat angles C4'-P-C4' energy: -116.140 flat angles P-C4'-P energy: -69.971 tors. eta vs tors. theta energy: -125.657 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: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1333.048246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.048246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.048246 (E_RNA) where: Base-Base interactions energy: -904.671 where: short stacking energy: -369.616 Base-Backbone interact. energy: 2.543 local terms energy: -430.920540 where: bonds (distance) C4'-P energy: -81.389 bonds (distance) P-C4' energy: -82.463 flat angles C4'-P-C4' energy: -100.824 flat angles P-C4'-P energy: -64.795 tors. eta vs tors. theta energy: -101.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1233.384631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.384631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.384631 (E_RNA) where: Base-Base interactions energy: -822.950 where: short stacking energy: -340.906 Base-Backbone interact. energy: 3.718 local terms energy: -414.153091 where: bonds (distance) C4'-P energy: -78.729 bonds (distance) P-C4' energy: -98.310 flat angles C4'-P-C4' energy: -103.466 flat angles P-C4'-P energy: -44.302 tors. eta vs tors. theta energy: -89.346 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: 201 Temperature: 1.300000 Total energy: -984.852571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.852571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.852571 (E_RNA) where: Base-Base interactions energy: -607.943 where: short stacking energy: -283.203 Base-Backbone interact. energy: -2.634 local terms energy: -374.275135 where: bonds (distance) C4'-P energy: -86.600 bonds (distance) P-C4' energy: -89.991 flat angles C4'-P-C4' energy: -86.299 flat angles P-C4'-P energy: -59.573 tors. eta vs tors. theta energy: -51.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -549.742773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.742773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.742773 (E_RNA) where: Base-Base interactions energy: -269.376 where: short stacking energy: -179.791 Base-Backbone interact. energy: 2.893 local terms energy: -283.259313 where: bonds (distance) C4'-P energy: -76.872 bonds (distance) P-C4' energy: -67.978 flat angles C4'-P-C4' energy: -80.944 flat angles P-C4'-P energy: -41.924 tors. eta vs tors. theta energy: -15.541 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: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1929.807948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.807948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.807948 (E_RNA) where: Base-Base interactions energy: -1339.322 where: short stacking energy: -579.678 Base-Backbone interact. energy: -3.767 local terms energy: -586.718688 where: bonds (distance) C4'-P energy: -106.866 bonds (distance) P-C4' energy: -114.019 flat angles C4'-P-C4' energy: -123.242 flat angles P-C4'-P energy: -73.466 tors. eta vs tors. theta energy: -169.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1833.942636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.942636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.942636 (E_RNA) where: Base-Base interactions energy: -1255.348 where: short stacking energy: -520.247 Base-Backbone interact. energy: -2.571 local terms energy: -576.023162 where: bonds (distance) C4'-P energy: -115.470 bonds (distance) P-C4' energy: -109.740 flat angles C4'-P-C4' energy: -112.490 flat angles P-C4'-P energy: -73.324 tors. eta vs tors. theta energy: -164.999 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: 3, replica: 1 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1724.044422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.044422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.044422 (E_RNA) where: Base-Base interactions energy: -1187.726 where: short stacking energy: -498.404 Base-Backbone interact. energy: -2.473 local terms energy: -533.845950 where: bonds (distance) C4'-P energy: -100.516 bonds (distance) P-C4' energy: -106.294 flat angles C4'-P-C4' energy: -117.378 flat angles P-C4'-P energy: -82.444 tors. eta vs tors. theta energy: -127.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1666.781181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.781181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.781181 (E_RNA) where: Base-Base interactions energy: -1147.772 where: short stacking energy: -492.926 Base-Backbone interact. energy: -2.891 local terms energy: -516.118130 where: bonds (distance) C4'-P energy: -97.071 bonds (distance) P-C4' energy: -97.396 flat angles C4'-P-C4' energy: -106.010 flat angles P-C4'-P energy: -71.270 tors. eta vs tors. theta energy: -144.372 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: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1605.044850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.044850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.044850 (E_RNA) where: Base-Base interactions energy: -1102.819 where: short stacking energy: -444.170 Base-Backbone interact. energy: -1.816 local terms energy: -500.410369 where: bonds (distance) C4'-P energy: -95.437 bonds (distance) P-C4' energy: -95.829 flat angles C4'-P-C4' energy: -107.291 flat angles P-C4'-P energy: -70.181 tors. eta vs tors. theta energy: -131.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1546.480133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.480133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.480133 (E_RNA) where: Base-Base interactions energy: -1070.509 where: short stacking energy: -452.835 Base-Backbone interact. energy: 4.641 local terms energy: -480.611360 where: bonds (distance) C4'-P energy: -79.826 bonds (distance) P-C4' energy: -99.037 flat angles C4'-P-C4' energy: -99.546 flat angles P-C4'-P energy: -70.114 tors. eta vs tors. theta energy: -132.089 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: 202 Temperature: 1.200000 Total energy: -1309.075048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.075048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.075048 (E_RNA) where: Base-Base interactions energy: -851.311 where: short stacking energy: -375.475 Base-Backbone interact. energy: -2.718 local terms energy: -455.046335 where: bonds (distance) C4'-P energy: -76.084 bonds (distance) P-C4' energy: -94.281 flat angles C4'-P-C4' energy: -115.576 flat angles P-C4'-P energy: -70.528 tors. eta vs tors. theta energy: -98.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1198.591733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.591733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.591733 (E_RNA) where: Base-Base interactions energy: -786.958 where: short stacking energy: -358.382 Base-Backbone interact. energy: 8.897 local terms energy: -420.530402 where: bonds (distance) C4'-P energy: -88.025 bonds (distance) P-C4' energy: -103.494 flat angles C4'-P-C4' energy: -100.802 flat angles P-C4'-P energy: -56.564 tors. eta vs tors. theta energy: -71.645 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: 9 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -968.867435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.867435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.867435 (E_RNA) where: Base-Base interactions energy: -619.901 where: short stacking energy: -283.668 Base-Backbone interact. energy: 2.296 local terms energy: -351.261961 where: bonds (distance) C4'-P energy: -84.919 bonds (distance) P-C4' energy: -92.395 flat angles C4'-P-C4' energy: -88.866 flat angles P-C4'-P energy: -37.638 tors. eta vs tors. theta energy: -47.444 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: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -571.843276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.843276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.843276 (E_RNA) where: Base-Base interactions energy: -269.097 where: short stacking energy: -181.568 Base-Backbone interact. energy: 0.409 local terms energy: -303.156165 where: bonds (distance) C4'-P energy: -79.669 bonds (distance) P-C4' energy: -81.978 flat angles C4'-P-C4' energy: -67.215 flat angles P-C4'-P energy: -64.464 tors. eta vs tors. theta energy: -9.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1965.724321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.724321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.724321 (E_RNA) where: Base-Base interactions energy: -1345.017 where: short stacking energy: -584.653 Base-Backbone interact. energy: -1.868 local terms energy: -618.838904 where: bonds (distance) C4'-P energy: -120.895 bonds (distance) P-C4' energy: -118.625 flat angles C4'-P-C4' energy: -128.351 flat angles P-C4'-P energy: -78.077 tors. eta vs tors. theta energy: -172.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1821.535922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.535922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.535922 (E_RNA) where: Base-Base interactions energy: -1253.897 where: short stacking energy: -541.107 Base-Backbone interact. energy: -4.083 local terms energy: -563.555605 where: bonds (distance) C4'-P energy: -106.655 bonds (distance) P-C4' energy: -104.596 flat angles C4'-P-C4' energy: -112.246 flat angles P-C4'-P energy: -78.802 tors. eta vs tors. theta energy: -161.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1700.899720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.899720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.899720 (E_RNA) where: Base-Base interactions energy: -1153.043 where: short stacking energy: -484.396 Base-Backbone interact. energy: -0.634 local terms energy: -547.222202 where: bonds (distance) C4'-P energy: -95.984 bonds (distance) P-C4' energy: -113.309 flat angles C4'-P-C4' energy: -114.989 flat angles P-C4'-P energy: -79.934 tors. eta vs tors. theta energy: -143.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1666.238170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.238170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.238170 (E_RNA) where: Base-Base interactions energy: -1137.321 where: short stacking energy: -488.852 Base-Backbone interact. energy: -1.777 local terms energy: -527.139579 where: bonds (distance) C4'-P energy: -101.522 bonds (distance) P-C4' energy: -97.810 flat angles C4'-P-C4' energy: -123.232 flat angles P-C4'-P energy: -75.591 tors. eta vs tors. theta energy: -128.985 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: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1617.550785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.550785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.550785 (E_RNA) where: Base-Base interactions energy: -1120.726 where: short stacking energy: -444.720 Base-Backbone interact. energy: -1.490 local terms energy: -495.334446 where: bonds (distance) C4'-P energy: -91.392 bonds (distance) P-C4' energy: -96.212 flat angles C4'-P-C4' energy: -112.140 flat angles P-C4'-P energy: -73.410 tors. eta vs tors. theta energy: -122.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1570.170566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.170566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.170566 (E_RNA) where: Base-Base interactions energy: -1056.113 where: short stacking energy: -455.217 Base-Backbone interact. energy: -0.537 local terms energy: -513.520481 where: bonds (distance) C4'-P energy: -77.039 bonds (distance) P-C4' energy: -115.273 flat angles C4'-P-C4' energy: -113.564 flat angles P-C4'-P energy: -76.506 tors. eta vs tors. theta energy: -131.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1367.681605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.681605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.681605 (E_RNA) where: Base-Base interactions energy: -925.546 where: short stacking energy: -390.275 Base-Backbone interact. energy: -1.109 local terms energy: -441.027073 where: bonds (distance) C4'-P energy: -97.201 bonds (distance) P-C4' energy: -86.187 flat angles C4'-P-C4' energy: -104.076 flat angles P-C4'-P energy: -48.235 tors. eta vs tors. theta energy: -105.327 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: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1216.358757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.358757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.358757 (E_RNA) where: Base-Base interactions energy: -808.835 where: short stacking energy: -349.435 Base-Backbone interact. energy: 4.340 local terms energy: -411.864131 where: bonds (distance) C4'-P energy: -97.389 bonds (distance) P-C4' energy: -87.079 flat angles C4'-P-C4' energy: -92.118 flat angles P-C4'-P energy: -49.167 tors. eta vs tors. theta energy: -86.112 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: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -940.837101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.837101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.837101 (E_RNA) where: Base-Base interactions energy: -608.617 where: short stacking energy: -247.523 Base-Backbone interact. energy: 2.143 local terms energy: -334.363343 where: bonds (distance) C4'-P energy: -84.175 bonds (distance) P-C4' energy: -89.312 flat angles C4'-P-C4' energy: -92.328 flat angles P-C4'-P energy: -36.462 tors. eta vs tors. theta energy: -32.086 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: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -613.818221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.818221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.818221 (E_RNA) where: Base-Base interactions energy: -284.347 where: short stacking energy: -163.953 Base-Backbone interact. energy: -1.707 local terms energy: -327.764325 where: bonds (distance) C4'-P energy: -101.220 bonds (distance) P-C4' energy: -98.962 flat angles C4'-P-C4' energy: -94.463 flat angles P-C4'-P energy: -44.901 tors. eta vs tors. theta energy: 11.781 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: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1936.359405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.359405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.359405 (E_RNA) where: Base-Base interactions energy: -1321.412 where: short stacking energy: -573.766 Base-Backbone interact. energy: -1.852 local terms energy: -613.094482 where: bonds (distance) C4'-P energy: -115.403 bonds (distance) P-C4' energy: -109.740 flat angles C4'-P-C4' energy: -121.165 flat angles P-C4'-P energy: -84.642 tors. eta vs tors. theta energy: -182.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1834.765931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.765931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.765931 (E_RNA) where: Base-Base interactions energy: -1247.565 where: short stacking energy: -561.494 Base-Backbone interact. energy: -0.203 local terms energy: -586.997661 where: bonds (distance) C4'-P energy: -108.792 bonds (distance) P-C4' energy: -105.767 flat angles C4'-P-C4' energy: -118.240 flat angles P-C4'-P energy: -90.483 tors. eta vs tors. theta energy: -163.716 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: 3, replica: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1686.745090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.745090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.745090 (E_RNA) where: Base-Base interactions energy: -1160.828 where: short stacking energy: -470.111 Base-Backbone interact. energy: -2.027 local terms energy: -523.890233 where: bonds (distance) C4'-P energy: -100.334 bonds (distance) P-C4' energy: -100.766 flat angles C4'-P-C4' energy: -109.973 flat angles P-C4'-P energy: -73.208 tors. eta vs tors. theta energy: -139.610 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: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1691.366447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.366447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.366447 (E_RNA) where: Base-Base interactions energy: -1151.823 where: short stacking energy: -486.476 Base-Backbone interact. energy: 1.689 local terms energy: -541.231935 where: bonds (distance) C4'-P energy: -86.836 bonds (distance) P-C4' energy: -103.464 flat angles C4'-P-C4' energy: -124.047 flat angles P-C4'-P energy: -80.544 tors. eta vs tors. theta energy: -146.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1583.810200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.810200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.810200 (E_RNA) where: Base-Base interactions energy: -1082.089 where: short stacking energy: -475.091 Base-Backbone interact. energy: -0.604 local terms energy: -501.117422 where: bonds (distance) C4'-P energy: -85.768 bonds (distance) P-C4' energy: -106.041 flat angles C4'-P-C4' energy: -104.323 flat angles P-C4'-P energy: -64.969 tors. eta vs tors. theta energy: -140.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1577.565664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.565664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.565664 (E_RNA) where: Base-Base interactions energy: -1078.526 where: short stacking energy: -442.449 Base-Backbone interact. energy: -1.160 local terms energy: -497.880480 where: bonds (distance) C4'-P energy: -109.413 bonds (distance) P-C4' energy: -96.776 flat angles C4'-P-C4' energy: -105.328 flat angles P-C4'-P energy: -63.291 tors. eta vs tors. theta energy: -123.073 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: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1355.225503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.225503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.225503 (E_RNA) where: Base-Base interactions energy: -907.713 where: short stacking energy: -377.761 Base-Backbone interact. energy: -3.179 local terms energy: -444.333226 where: bonds (distance) C4'-P energy: -80.112 bonds (distance) P-C4' energy: -108.174 flat angles C4'-P-C4' energy: -97.130 flat angles P-C4'-P energy: -66.084 tors. eta vs tors. theta energy: -92.834 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: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1202.702980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.702980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.702980 (E_RNA) where: Base-Base interactions energy: -789.618 where: short stacking energy: -339.586 Base-Backbone interact. energy: -0.485 local terms energy: -412.599841 where: bonds (distance) C4'-P energy: -94.288 bonds (distance) P-C4' energy: -86.894 flat angles C4'-P-C4' energy: -100.494 flat angles P-C4'-P energy: -73.997 tors. eta vs tors. theta energy: -56.927 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: 9 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -903.597619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.597619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.597619 (E_RNA) where: Base-Base interactions energy: -553.388 where: short stacking energy: -270.914 Base-Backbone interact. energy: 1.217 local terms energy: -351.426645 where: bonds (distance) C4'-P energy: -89.672 bonds (distance) P-C4' energy: -88.601 flat angles C4'-P-C4' energy: -94.347 flat angles P-C4'-P energy: -45.272 tors. eta vs tors. theta energy: -33.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -555.235657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.235657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.235657 (E_RNA) where: Base-Base interactions energy: -271.203 where: short stacking energy: -170.117 Base-Backbone interact. energy: -0.569 local terms energy: -283.463572 where: bonds (distance) C4'-P energy: -87.710 bonds (distance) P-C4' energy: -82.809 flat angles C4'-P-C4' energy: -63.776 flat angles P-C4'-P energy: -62.641 tors. eta vs tors. theta energy: 13.472 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: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1942.708215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.708215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.708215 (E_RNA) where: Base-Base interactions energy: -1314.673 where: short stacking energy: -566.370 Base-Backbone interact. energy: -1.738 local terms energy: -626.297120 where: bonds (distance) C4'-P energy: -117.701 bonds (distance) P-C4' energy: -116.558 flat angles C4'-P-C4' energy: -127.990 flat angles P-C4'-P energy: -89.157 tors. eta vs tors. theta energy: -174.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1843.266157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.266157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.266157 (E_RNA) where: Base-Base interactions energy: -1262.514 where: short stacking energy: -534.680 Base-Backbone interact. energy: -2.640 local terms energy: -578.112127 where: bonds (distance) C4'-P energy: -108.235 bonds (distance) P-C4' energy: -99.563 flat angles C4'-P-C4' energy: -126.478 flat angles P-C4'-P energy: -84.293 tors. eta vs tors. theta energy: -159.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1688.906393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.906393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.906393 (E_RNA) where: Base-Base interactions energy: -1147.164 where: short stacking energy: -483.467 Base-Backbone interact. energy: -2.579 local terms energy: -539.164234 where: bonds (distance) C4'-P energy: -89.808 bonds (distance) P-C4' energy: -113.915 flat angles C4'-P-C4' energy: -113.197 flat angles P-C4'-P energy: -85.106 tors. eta vs tors. theta energy: -137.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1695.998313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.998313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.998313 (E_RNA) where: Base-Base interactions energy: -1139.442 where: short stacking energy: -487.121 Base-Backbone interact. energy: -0.647 local terms energy: -555.909400 where: bonds (distance) C4'-P energy: -104.625 bonds (distance) P-C4' energy: -113.016 flat angles C4'-P-C4' energy: -115.309 flat angles P-C4'-P energy: -76.734 tors. eta vs tors. theta energy: -146.226 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: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1638.311770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.311770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.311770 (E_RNA) where: Base-Base interactions energy: -1108.175 where: short stacking energy: -466.664 Base-Backbone interact. energy: -1.563 local terms energy: -528.573598 where: bonds (distance) C4'-P energy: -100.692 bonds (distance) P-C4' energy: -100.492 flat angles C4'-P-C4' energy: -112.599 flat angles P-C4'-P energy: -87.014 tors. eta vs tors. theta energy: -127.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1540.273703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.273703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.273703 (E_RNA) where: Base-Base interactions energy: -1054.634 where: short stacking energy: -432.819 Base-Backbone interact. energy: -2.052 local terms energy: -483.587766 where: bonds (distance) C4'-P energy: -85.768 bonds (distance) P-C4' energy: -87.963 flat angles C4'-P-C4' energy: -107.317 flat angles P-C4'-P energy: -80.682 tors. eta vs tors. theta energy: -121.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1364.018884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.018884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.018884 (E_RNA) where: Base-Base interactions energy: -885.833 where: short stacking energy: -375.705 Base-Backbone interact. energy: 0.335 local terms energy: -478.521377 where: bonds (distance) C4'-P energy: -104.418 bonds (distance) P-C4' energy: -107.830 flat angles C4'-P-C4' energy: -108.731 flat angles P-C4'-P energy: -58.678 tors. eta vs tors. theta energy: -98.865 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: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1264.424914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.424914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.424914 (E_RNA) where: Base-Base interactions energy: -855.342 where: short stacking energy: -368.932 Base-Backbone interact. energy: 2.082 local terms energy: -411.165439 where: bonds (distance) C4'-P energy: -78.988 bonds (distance) P-C4' energy: -114.388 flat angles C4'-P-C4' energy: -81.127 flat angles P-C4'-P energy: -49.025 tors. eta vs tors. theta energy: -87.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -905.371244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.371244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.371244 (E_RNA) where: Base-Base interactions energy: -578.380 where: short stacking energy: -253.852 Base-Backbone interact. energy: -2.830 local terms energy: -324.161541 where: bonds (distance) C4'-P energy: -69.627 bonds (distance) P-C4' energy: -83.068 flat angles C4'-P-C4' energy: -69.858 flat angles P-C4'-P energy: -54.404 tors. eta vs tors. theta energy: -47.205 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: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -642.046024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.046024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.046024 (E_RNA) where: Base-Base interactions energy: -337.418 where: short stacking energy: -180.294 Base-Backbone interact. energy: -3.224 local terms energy: -301.403663 where: bonds (distance) C4'-P energy: -90.314 bonds (distance) P-C4' energy: -96.758 flat angles C4'-P-C4' energy: -67.887 flat angles P-C4'-P energy: -43.660 tors. eta vs tors. theta energy: -2.785 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: 7 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1939.539927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.539927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.539927 (E_RNA) where: Base-Base interactions energy: -1308.806 where: short stacking energy: -565.301 Base-Backbone interact. energy: -2.037 local terms energy: -628.697541 where: bonds (distance) C4'-P energy: -115.405 bonds (distance) P-C4' energy: -113.700 flat angles C4'-P-C4' energy: -127.469 flat angles P-C4'-P energy: -99.049 tors. eta vs tors. theta energy: -173.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1840.225312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.225312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.225312 (E_RNA) where: Base-Base interactions energy: -1244.090 where: short stacking energy: -557.265 Base-Backbone interact. energy: -5.453 local terms energy: -590.682018 where: bonds (distance) C4'-P energy: -99.575 bonds (distance) P-C4' energy: -119.359 flat angles C4'-P-C4' energy: -125.852 flat angles P-C4'-P energy: -82.046 tors. eta vs tors. theta energy: -163.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1705.446634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.446634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.446634 (E_RNA) where: Base-Base interactions energy: -1180.891 where: short stacking energy: -513.693 Base-Backbone interact. energy: 2.463 local terms energy: -527.017810 where: bonds (distance) C4'-P energy: -103.342 bonds (distance) P-C4' energy: -104.558 flat angles C4'-P-C4' energy: -109.242 flat angles P-C4'-P energy: -75.111 tors. eta vs tors. theta energy: -134.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1658.858016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.858016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.858016 (E_RNA) where: Base-Base interactions energy: -1115.791 where: short stacking energy: -476.778 Base-Backbone interact. energy: -5.822 local terms energy: -537.245150 where: bonds (distance) C4'-P energy: -99.928 bonds (distance) P-C4' energy: -99.882 flat angles C4'-P-C4' energy: -125.276 flat angles P-C4'-P energy: -81.797 tors. eta vs tors. theta energy: -130.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1582.356551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.356551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.356551 (E_RNA) where: Base-Base interactions energy: -1105.403 where: short stacking energy: -464.181 Base-Backbone interact. energy: -2.249 local terms energy: -474.704295 where: bonds (distance) C4'-P energy: -76.636 bonds (distance) P-C4' energy: -95.154 flat angles C4'-P-C4' energy: -113.219 flat angles P-C4'-P energy: -71.328 tors. eta vs tors. theta energy: -118.368 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: 10 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1622.971370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.971370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.971370 (E_RNA) where: Base-Base interactions energy: -1121.957 where: short stacking energy: -474.296 Base-Backbone interact. energy: 7.359 local terms energy: -508.373782 where: bonds (distance) C4'-P energy: -82.538 bonds (distance) P-C4' energy: -97.480 flat angles C4'-P-C4' energy: -116.922 flat angles P-C4'-P energy: -82.415 tors. eta vs tors. theta energy: -129.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1383.741138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.741138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.741138 (E_RNA) where: Base-Base interactions energy: -931.804 where: short stacking energy: -401.313 Base-Backbone interact. energy: -1.159 local terms energy: -450.778567 where: bonds (distance) C4'-P energy: -90.559 bonds (distance) P-C4' energy: -94.590 flat angles C4'-P-C4' energy: -89.198 flat angles P-C4'-P energy: -66.752 tors. eta vs tors. theta energy: -109.680 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: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1225.235215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.235215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.235215 (E_RNA) where: Base-Base interactions energy: -816.656 where: short stacking energy: -346.520 Base-Backbone interact. energy: -1.748 local terms energy: -406.831480 where: bonds (distance) C4'-P energy: -94.860 bonds (distance) P-C4' energy: -85.189 flat angles C4'-P-C4' energy: -95.611 flat angles P-C4'-P energy: -55.833 tors. eta vs tors. theta energy: -75.339 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: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -878.716929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.716929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.716929 (E_RNA) where: Base-Base interactions energy: -545.821 where: short stacking energy: -254.421 Base-Backbone interact. energy: 1.902 local terms energy: -334.798554 where: bonds (distance) C4'-P energy: -67.650 bonds (distance) P-C4' energy: -80.959 flat angles C4'-P-C4' energy: -97.018 flat angles P-C4'-P energy: -58.074 tors. eta vs tors. theta energy: -31.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -557.310968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.310968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.310968 (E_RNA) where: Base-Base interactions energy: -274.826 where: short stacking energy: -134.826 Base-Backbone interact. energy: -0.940 local terms energy: -281.545217 where: bonds (distance) C4'-P energy: -98.955 bonds (distance) P-C4' energy: -90.370 flat angles C4'-P-C4' energy: -61.423 flat angles P-C4'-P energy: -52.878 tors. eta vs tors. theta energy: 22.081 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: 1, replica: 7 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1923.912218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.912218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.912218 (E_RNA) where: Base-Base interactions energy: -1330.370 where: short stacking energy: -577.475 Base-Backbone interact. energy: 1.342 local terms energy: -594.883751 where: bonds (distance) C4'-P energy: -105.795 bonds (distance) P-C4' energy: -105.507 flat angles C4'-P-C4' energy: -122.357 flat angles P-C4'-P energy: -84.972 tors. eta vs tors. theta energy: -176.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1837.406422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.406422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.406422 (E_RNA) where: Base-Base interactions energy: -1253.117 where: short stacking energy: -534.088 Base-Backbone interact. energy: -2.385 local terms energy: -581.904741 where: bonds (distance) C4'-P energy: -100.270 bonds (distance) P-C4' energy: -110.271 flat angles C4'-P-C4' energy: -128.673 flat angles P-C4'-P energy: -84.716 tors. eta vs tors. theta energy: -157.974 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: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1715.140802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.140802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.140802 (E_RNA) where: Base-Base interactions energy: -1160.387 where: short stacking energy: -498.149 Base-Backbone interact. energy: -0.775 local terms energy: -553.979068 where: bonds (distance) C4'-P energy: -96.450 bonds (distance) P-C4' energy: -113.262 flat angles C4'-P-C4' energy: -120.864 flat angles P-C4'-P energy: -74.585 tors. eta vs tors. theta energy: -148.818 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: 1 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1680.752760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.752760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.752760 (E_RNA) where: Base-Base interactions energy: -1139.087 where: short stacking energy: -487.056 Base-Backbone interact. energy: -0.412 local terms energy: -541.253741 where: bonds (distance) C4'-P energy: -110.575 bonds (distance) P-C4' energy: -104.052 flat angles C4'-P-C4' energy: -118.338 flat angles P-C4'-P energy: -66.092 tors. eta vs tors. theta energy: -142.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1640.196568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.196568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.196568 (E_RNA) where: Base-Base interactions energy: -1125.636 where: short stacking energy: -479.524 Base-Backbone interact. energy: 0.415 local terms energy: -514.976250 where: bonds (distance) C4'-P energy: -75.416 bonds (distance) P-C4' energy: -105.712 flat angles C4'-P-C4' energy: -121.782 flat angles P-C4'-P energy: -69.201 tors. eta vs tors. theta energy: -142.865 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: 10 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1608.973340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.973340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.973340 (E_RNA) where: Base-Base interactions energy: -1127.495 where: short stacking energy: -481.291 Base-Backbone interact. energy: 2.577 local terms energy: -484.055995 where: bonds (distance) C4'-P energy: -87.979 bonds (distance) P-C4' energy: -99.767 flat angles C4'-P-C4' energy: -107.362 flat angles P-C4'-P energy: -59.940 tors. eta vs tors. theta energy: -129.007 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: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1354.170518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.170518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.170518 (E_RNA) where: Base-Base interactions energy: -899.173 where: short stacking energy: -397.250 Base-Backbone interact. energy: -0.902 local terms energy: -454.096117 where: bonds (distance) C4'-P energy: -81.456 bonds (distance) P-C4' energy: -93.388 flat angles C4'-P-C4' energy: -101.769 flat angles P-C4'-P energy: -67.470 tors. eta vs tors. theta energy: -110.012 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: 8, replica: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1273.529447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.529447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.529447 (E_RNA) where: Base-Base interactions energy: -854.755 where: short stacking energy: -383.817 Base-Backbone interact. energy: -2.257 local terms energy: -416.516830 where: bonds (distance) C4'-P energy: -91.087 bonds (distance) P-C4' energy: -102.082 flat angles C4'-P-C4' energy: -91.848 flat angles P-C4'-P energy: -47.429 tors. eta vs tors. theta energy: -84.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -883.940632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.940632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.940632 (E_RNA) where: Base-Base interactions energy: -543.846 where: short stacking energy: -268.683 Base-Backbone interact. energy: 1.551 local terms energy: -341.645705 where: bonds (distance) C4'-P energy: -86.628 bonds (distance) P-C4' energy: -92.028 flat angles C4'-P-C4' energy: -84.704 flat angles P-C4'-P energy: -42.396 tors. eta vs tors. theta energy: -35.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -570.177400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.177400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.177400 (E_RNA) where: Base-Base interactions energy: -288.634 where: short stacking energy: -184.873 Base-Backbone interact. energy: 3.107 local terms energy: -284.650638 where: bonds (distance) C4'-P energy: -85.683 bonds (distance) P-C4' energy: -80.745 flat angles C4'-P-C4' energy: -70.034 flat angles P-C4'-P energy: -61.290 tors. eta vs tors. theta energy: 13.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1938.392730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.392730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.392730 (E_RNA) where: Base-Base interactions energy: -1332.265 where: short stacking energy: -565.744 Base-Backbone interact. energy: 0.799 local terms energy: -606.926619 where: bonds (distance) C4'-P energy: -112.705 bonds (distance) P-C4' energy: -114.255 flat angles C4'-P-C4' energy: -119.421 flat angles P-C4'-P energy: -91.191 tors. eta vs tors. theta energy: -169.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1840.372033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.372033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.372033 (E_RNA) where: Base-Base interactions energy: -1286.771 where: short stacking energy: -553.162 Base-Backbone interact. energy: -0.935 local terms energy: -552.666054 where: bonds (distance) C4'-P energy: -95.414 bonds (distance) P-C4' energy: -109.701 flat angles C4'-P-C4' energy: -119.515 flat angles P-C4'-P energy: -68.181 tors. eta vs tors. theta energy: -159.856 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: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1715.715767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.715767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.715767 (E_RNA) where: Base-Base interactions energy: -1170.342 where: short stacking energy: -491.722 Base-Backbone interact. energy: 0.006 local terms energy: -545.380257 where: bonds (distance) C4'-P energy: -105.735 bonds (distance) P-C4' energy: -102.314 flat angles C4'-P-C4' energy: -111.125 flat angles P-C4'-P energy: -80.007 tors. eta vs tors. theta energy: -146.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1661.217159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.217159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.217159 (E_RNA) where: Base-Base interactions energy: -1117.309 where: short stacking energy: -495.220 Base-Backbone interact. energy: -2.665 local terms energy: -541.242880 where: bonds (distance) C4'-P energy: -99.864 bonds (distance) P-C4' energy: -100.611 flat angles C4'-P-C4' energy: -113.905 flat angles P-C4'-P energy: -82.819 tors. eta vs tors. theta energy: -144.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1574.270098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.270098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.270098 (E_RNA) where: Base-Base interactions energy: -1085.872 where: short stacking energy: -463.540 Base-Backbone interact. energy: 0.166 local terms energy: -488.563669 where: bonds (distance) C4'-P energy: -95.927 bonds (distance) P-C4' energy: -95.511 flat angles C4'-P-C4' energy: -102.427 flat angles P-C4'-P energy: -59.114 tors. eta vs tors. theta energy: -135.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1562.001178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.001178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.001178 (E_RNA) where: Base-Base interactions energy: -1085.473 where: short stacking energy: -441.032 Base-Backbone interact. energy: 2.152 local terms energy: -478.680341 where: bonds (distance) C4'-P energy: -83.553 bonds (distance) P-C4' energy: -104.753 flat angles C4'-P-C4' energy: -112.692 flat angles P-C4'-P energy: -52.068 tors. eta vs tors. theta energy: -125.614 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: 208 Temperature: 1.200000 Total energy: -1402.582768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.582768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.582768 (E_RNA) where: Base-Base interactions energy: -934.744 where: short stacking energy: -415.686 Base-Backbone interact. energy: -2.490 local terms energy: -465.348829 where: bonds (distance) C4'-P energy: -90.823 bonds (distance) P-C4' energy: -84.225 flat angles C4'-P-C4' energy: -102.841 flat angles P-C4'-P energy: -79.186 tors. eta vs tors. theta energy: -108.274 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: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1271.551621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.551621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.551621 (E_RNA) where: Base-Base interactions energy: -830.930 where: short stacking energy: -366.364 Base-Backbone interact. energy: -1.097 local terms energy: -439.524414 where: bonds (distance) C4'-P energy: -95.880 bonds (distance) P-C4' energy: -85.937 flat angles C4'-P-C4' energy: -102.660 flat angles P-C4'-P energy: -60.349 tors. eta vs tors. theta energy: -94.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1007.702095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.702095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.702095 (E_RNA) where: Base-Base interactions energy: -628.375 where: short stacking energy: -270.239 Base-Backbone interact. energy: 0.655 local terms energy: -379.982366 where: bonds (distance) C4'-P energy: -91.451 bonds (distance) P-C4' energy: -106.057 flat angles C4'-P-C4' energy: -69.718 flat angles P-C4'-P energy: -63.282 tors. eta vs tors. theta energy: -49.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -593.101058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.101058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.101058 (E_RNA) where: Base-Base interactions energy: -300.622 where: short stacking energy: -156.732 Base-Backbone interact. energy: -5.753 local terms energy: -286.726631 where: bonds (distance) C4'-P energy: -93.302 bonds (distance) P-C4' energy: -87.399 flat angles C4'-P-C4' energy: -72.929 flat angles P-C4'-P energy: -37.692 tors. eta vs tors. theta energy: 4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1907.378939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.378939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.378939 (E_RNA) where: Base-Base interactions energy: -1294.999 where: short stacking energy: -589.967 Base-Backbone interact. energy: -2.841 local terms energy: -609.538830 where: bonds (distance) C4'-P energy: -113.833 bonds (distance) P-C4' energy: -115.740 flat angles C4'-P-C4' energy: -118.119 flat angles P-C4'-P energy: -89.780 tors. eta vs tors. theta energy: -172.067 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: 209 Temperature: 0.950000 Total energy: -1850.050640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.050640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.050640 (E_RNA) where: Base-Base interactions energy: -1267.683 where: short stacking energy: -565.032 Base-Backbone interact. energy: -2.081 local terms energy: -580.287113 where: bonds (distance) C4'-P energy: -104.714 bonds (distance) P-C4' energy: -103.702 flat angles C4'-P-C4' energy: -119.163 flat angles P-C4'-P energy: -83.239 tors. eta vs tors. theta energy: -169.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1751.544832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.544832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.544832 (E_RNA) where: Base-Base interactions energy: -1189.778 where: short stacking energy: -526.406 Base-Backbone interact. energy: -1.505 local terms energy: -560.262063 where: bonds (distance) C4'-P energy: -102.482 bonds (distance) P-C4' energy: -95.359 flat angles C4'-P-C4' energy: -107.397 flat angles P-C4'-P energy: -89.027 tors. eta vs tors. theta energy: -165.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1633.892487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.892487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.892487 (E_RNA) where: Base-Base interactions energy: -1095.385 where: short stacking energy: -464.645 Base-Backbone interact. energy: -3.695 local terms energy: -534.812591 where: bonds (distance) C4'-P energy: -106.306 bonds (distance) P-C4' energy: -98.858 flat angles C4'-P-C4' energy: -119.662 flat angles P-C4'-P energy: -71.680 tors. eta vs tors. theta energy: -138.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1558.532493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.532493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.532493 (E_RNA) where: Base-Base interactions energy: -1078.963 where: short stacking energy: -434.944 Base-Backbone interact. energy: -1.205 local terms energy: -478.364667 where: bonds (distance) C4'-P energy: -102.858 bonds (distance) P-C4' energy: -87.562 flat angles C4'-P-C4' energy: -107.016 flat angles P-C4'-P energy: -58.970 tors. eta vs tors. theta energy: -121.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1587.439879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.439879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.439879 (E_RNA) where: Base-Base interactions energy: -1111.723 where: short stacking energy: -472.049 Base-Backbone interact. energy: -3.035 local terms energy: -472.681849 where: bonds (distance) C4'-P energy: -88.604 bonds (distance) P-C4' energy: -82.759 flat angles C4'-P-C4' energy: -105.757 flat angles P-C4'-P energy: -69.955 tors. eta vs tors. theta energy: -125.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1383.424556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.424556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.424556 (E_RNA) where: Base-Base interactions energy: -950.504 where: short stacking energy: -420.292 Base-Backbone interact. energy: -0.496 local terms energy: -432.424633 where: bonds (distance) C4'-P energy: -85.445 bonds (distance) P-C4' energy: -94.417 flat angles C4'-P-C4' energy: -79.565 flat angles P-C4'-P energy: -62.829 tors. eta vs tors. theta energy: -110.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1254.519317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.519317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.519317 (E_RNA) where: Base-Base interactions energy: -835.232 where: short stacking energy: -334.418 Base-Backbone interact. energy: 2.202 local terms energy: -421.489000 where: bonds (distance) C4'-P energy: -78.320 bonds (distance) P-C4' energy: -92.889 flat angles C4'-P-C4' energy: -111.093 flat angles P-C4'-P energy: -66.638 tors. eta vs tors. theta energy: -72.548 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: 209 Temperature: 1.300000 Total energy: -990.050633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.050633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.050633 (E_RNA) where: Base-Base interactions energy: -601.276 where: short stacking energy: -278.272 Base-Backbone interact. energy: -1.069 local terms energy: -387.706048 where: bonds (distance) C4'-P energy: -89.767 bonds (distance) P-C4' energy: -93.705 flat angles C4'-P-C4' energy: -91.343 flat angles P-C4'-P energy: -57.801 tors. eta vs tors. theta energy: -55.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -584.023679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.023679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.023679 (E_RNA) where: Base-Base interactions energy: -286.266 where: short stacking energy: -162.232 Base-Backbone interact. energy: -0.758 local terms energy: -297.000367 where: bonds (distance) C4'-P energy: -79.434 bonds (distance) P-C4' energy: -97.767 flat angles C4'-P-C4' energy: -77.043 flat angles P-C4'-P energy: -55.040 tors. eta vs tors. theta energy: 12.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1907.109376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.109376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.109376 (E_RNA) where: Base-Base interactions energy: -1310.722 where: short stacking energy: -553.622 Base-Backbone interact. energy: -0.851 local terms energy: -595.536360 where: bonds (distance) C4'-P energy: -103.605 bonds (distance) P-C4' energy: -112.234 flat angles C4'-P-C4' energy: -121.473 flat angles P-C4'-P energy: -92.340 tors. eta vs tors. theta energy: -165.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1844.016076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.016076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.016076 (E_RNA) where: Base-Base interactions energy: -1284.334 where: short stacking energy: -555.291 Base-Backbone interact. energy: 0.659 local terms energy: -560.341337 where: bonds (distance) C4'-P energy: -99.495 bonds (distance) P-C4' energy: -94.302 flat angles C4'-P-C4' energy: -118.332 flat angles P-C4'-P energy: -78.603 tors. eta vs tors. theta energy: -169.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1694.542896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.542896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.542896 (E_RNA) where: Base-Base interactions energy: -1171.482 where: short stacking energy: -511.407 Base-Backbone interact. energy: -2.549 local terms energy: -520.511557 where: bonds (distance) C4'-P energy: -99.424 bonds (distance) P-C4' energy: -85.145 flat angles C4'-P-C4' energy: -112.216 flat angles P-C4'-P energy: -81.910 tors. eta vs tors. theta energy: -141.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1647.519512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.519512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.519512 (E_RNA) where: Base-Base interactions energy: -1110.765 where: short stacking energy: -473.446 Base-Backbone interact. energy: -0.874 local terms energy: -535.880679 where: bonds (distance) C4'-P energy: -100.002 bonds (distance) P-C4' energy: -102.268 flat angles C4'-P-C4' energy: -116.021 flat angles P-C4'-P energy: -82.840 tors. eta vs tors. theta energy: -134.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1618.020952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.020952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.020952 (E_RNA) where: Base-Base interactions energy: -1135.580 where: short stacking energy: -446.836 Base-Backbone interact. energy: -3.596 local terms energy: -478.844833 where: bonds (distance) C4'-P energy: -108.793 bonds (distance) P-C4' energy: -101.863 flat angles C4'-P-C4' energy: -93.793 flat angles P-C4'-P energy: -61.228 tors. eta vs tors. theta energy: -113.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1533.434396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.434396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.434396 (E_RNA) where: Base-Base interactions energy: -1026.074 where: short stacking energy: -433.202 Base-Backbone interact. energy: -2.294 local terms energy: -505.065818 where: bonds (distance) C4'-P energy: -102.823 bonds (distance) P-C4' energy: -108.867 flat angles C4'-P-C4' energy: -104.353 flat angles P-C4'-P energy: -75.097 tors. eta vs tors. theta energy: -113.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1392.203297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.203297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.203297 (E_RNA) where: Base-Base interactions energy: -913.932 where: short stacking energy: -417.696 Base-Backbone interact. energy: 3.341 local terms energy: -481.612271 where: bonds (distance) C4'-P energy: -103.330 bonds (distance) P-C4' energy: -105.183 flat angles C4'-P-C4' energy: -100.831 flat angles P-C4'-P energy: -55.758 tors. eta vs tors. theta energy: -116.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1228.361685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.361685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.361685 (E_RNA) where: Base-Base interactions energy: -801.471 where: short stacking energy: -345.873 Base-Backbone interact. energy: 6.279 local terms energy: -433.170090 where: bonds (distance) C4'-P energy: -100.816 bonds (distance) P-C4' energy: -92.409 flat angles C4'-P-C4' energy: -97.427 flat angles P-C4'-P energy: -63.425 tors. eta vs tors. theta energy: -79.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -913.048395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.048395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.048395 (E_RNA) where: Base-Base interactions energy: -535.178 where: short stacking energy: -250.732 Base-Backbone interact. energy: 3.024 local terms energy: -380.895093 where: bonds (distance) C4'-P energy: -98.739 bonds (distance) P-C4' energy: -105.792 flat angles C4'-P-C4' energy: -90.559 flat angles P-C4'-P energy: -38.133 tors. eta vs tors. theta energy: -47.672 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: 8 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -598.280463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.280463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.280463 (E_RNA) where: Base-Base interactions energy: -298.070 where: short stacking energy: -186.462 Base-Backbone interact. energy: -4.072 local terms energy: -296.138352 where: bonds (distance) C4'-P energy: -90.682 bonds (distance) P-C4' energy: -69.627 flat angles C4'-P-C4' energy: -72.605 flat angles P-C4'-P energy: -42.393 tors. eta vs tors. theta energy: -20.831 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: 1, replica: 7 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1920.221357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.221357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.221357 (E_RNA) where: Base-Base interactions energy: -1323.644 where: short stacking energy: -551.775 Base-Backbone interact. energy: -2.864 local terms energy: -593.713225 where: bonds (distance) C4'-P energy: -115.797 bonds (distance) P-C4' energy: -98.107 flat angles C4'-P-C4' energy: -123.021 flat angles P-C4'-P energy: -88.588 tors. eta vs tors. theta energy: -168.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1831.552807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.552807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.552807 (E_RNA) where: Base-Base interactions energy: -1269.592 where: short stacking energy: -536.267 Base-Backbone interact. energy: -2.381 local terms energy: -559.579172 where: bonds (distance) C4'-P energy: -98.241 bonds (distance) P-C4' energy: -97.497 flat angles C4'-P-C4' energy: -119.320 flat angles P-C4'-P energy: -78.578 tors. eta vs tors. theta energy: -165.943 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: 3 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1687.600125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.600125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.600125 (E_RNA) where: Base-Base interactions energy: -1150.364 where: short stacking energy: -478.181 Base-Backbone interact. energy: 1.052 local terms energy: -538.288816 where: bonds (distance) C4'-P energy: -92.781 bonds (distance) P-C4' energy: -100.777 flat angles C4'-P-C4' energy: -120.011 flat angles P-C4'-P energy: -83.647 tors. eta vs tors. theta energy: -141.073 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: 1 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1639.399732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.399732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.399732 (E_RNA) where: Base-Base interactions energy: -1113.593 where: short stacking energy: -480.255 Base-Backbone interact. energy: -2.505 local terms energy: -523.302002 where: bonds (distance) C4'-P energy: -96.453 bonds (distance) P-C4' energy: -103.335 flat angles C4'-P-C4' energy: -106.537 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -144.196 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: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1628.405465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.405465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.405465 (E_RNA) where: Base-Base interactions energy: -1115.741 where: short stacking energy: -477.301 Base-Backbone interact. energy: 0.808 local terms energy: -513.472985 where: bonds (distance) C4'-P energy: -104.040 bonds (distance) P-C4' energy: -93.344 flat angles C4'-P-C4' energy: -102.310 flat angles P-C4'-P energy: -79.760 tors. eta vs tors. theta energy: -134.019 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: 10 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1500.144321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.144321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.144321 (E_RNA) where: Base-Base interactions energy: -1005.189 where: short stacking energy: -437.510 Base-Backbone interact. energy: 2.261 local terms energy: -497.216673 where: bonds (distance) C4'-P energy: -106.482 bonds (distance) P-C4' energy: -104.018 flat angles C4'-P-C4' energy: -106.601 flat angles P-C4'-P energy: -66.672 tors. eta vs tors. theta energy: -113.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1375.760977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.760977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.760977 (E_RNA) where: Base-Base interactions energy: -913.795 where: short stacking energy: -378.808 Base-Backbone interact. energy: -0.884 local terms energy: -461.081744 where: bonds (distance) C4'-P energy: -102.871 bonds (distance) P-C4' energy: -109.744 flat angles C4'-P-C4' energy: -99.292 flat angles P-C4'-P energy: -54.566 tors. eta vs tors. theta energy: -94.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1216.727559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.727559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.727559 (E_RNA) where: Base-Base interactions energy: -822.599 where: short stacking energy: -346.992 Base-Backbone interact. energy: -0.453 local terms energy: -393.675262 where: bonds (distance) C4'-P energy: -64.837 bonds (distance) P-C4' energy: -85.605 flat angles C4'-P-C4' energy: -99.171 flat angles P-C4'-P energy: -57.476 tors. eta vs tors. theta energy: -86.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -868.761394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.761394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.761394 (E_RNA) where: Base-Base interactions energy: -526.631 where: short stacking energy: -249.415 Base-Backbone interact. energy: 0.750 local terms energy: -342.879631 where: bonds (distance) C4'-P energy: -83.095 bonds (distance) P-C4' energy: -105.614 flat angles C4'-P-C4' energy: -76.176 flat angles P-C4'-P energy: -55.894 tors. eta vs tors. theta energy: -22.102 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: 8 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -603.588185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.588185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.588185 (E_RNA) where: Base-Base interactions energy: -286.765 where: short stacking energy: -171.799 Base-Backbone interact. energy: 2.839 local terms energy: -319.662215 where: bonds (distance) C4'-P energy: -81.195 bonds (distance) P-C4' energy: -105.370 flat angles C4'-P-C4' energy: -76.538 flat angles P-C4'-P energy: -49.291 tors. eta vs tors. theta energy: -7.268 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: 7 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1948.450894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.450894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.450894 (E_RNA) where: Base-Base interactions energy: -1328.999 where: short stacking energy: -576.953 Base-Backbone interact. energy: -3.572 local terms energy: -615.879780 where: bonds (distance) C4'-P energy: -116.195 bonds (distance) P-C4' energy: -115.200 flat angles C4'-P-C4' energy: -129.226 flat angles P-C4'-P energy: -86.095 tors. eta vs tors. theta energy: -169.164 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: 212 Temperature: 0.950000 Total energy: -1832.494088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.494088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.494088 (E_RNA) where: Base-Base interactions energy: -1261.721 where: short stacking energy: -538.945 Base-Backbone interact. energy: 0.188 local terms energy: -570.960691 where: bonds (distance) C4'-P energy: -101.548 bonds (distance) P-C4' energy: -104.369 flat angles C4'-P-C4' energy: -123.960 flat angles P-C4'-P energy: -78.682 tors. eta vs tors. theta energy: -162.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1727.965959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.965959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.965959 (E_RNA) where: Base-Base interactions energy: -1196.181 where: short stacking energy: -518.350 Base-Backbone interact. energy: -2.287 local terms energy: -529.497731 where: bonds (distance) C4'-P energy: -87.481 bonds (distance) P-C4' energy: -90.620 flat angles C4'-P-C4' energy: -129.711 flat angles P-C4'-P energy: -75.568 tors. eta vs tors. theta energy: -146.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1651.008583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.008583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.008583 (E_RNA) where: Base-Base interactions energy: -1134.170 where: short stacking energy: -473.819 Base-Backbone interact. energy: -2.531 local terms energy: -514.307513 where: bonds (distance) C4'-P energy: -101.632 bonds (distance) P-C4' energy: -96.960 flat angles C4'-P-C4' energy: -118.101 flat angles P-C4'-P energy: -73.125 tors. eta vs tors. theta energy: -124.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1653.458393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.458393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.458393 (E_RNA) where: Base-Base interactions energy: -1166.429 where: short stacking energy: -469.356 Base-Backbone interact. energy: 3.972 local terms energy: -491.001186 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -92.036 flat angles C4'-P-C4' energy: -107.269 flat angles P-C4'-P energy: -63.375 tors. eta vs tors. theta energy: -136.878 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: 10 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1521.367498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.367498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.367498 (E_RNA) where: Base-Base interactions energy: -1049.599 where: short stacking energy: -454.341 Base-Backbone interact. energy: -4.704 local terms energy: -467.064306 where: bonds (distance) C4'-P energy: -89.655 bonds (distance) P-C4' energy: -99.546 flat angles C4'-P-C4' energy: -82.297 flat angles P-C4'-P energy: -70.793 tors. eta vs tors. theta energy: -124.773 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: 6 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1384.647064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.647064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.647064 (E_RNA) where: Base-Base interactions energy: -915.320 where: short stacking energy: -400.750 Base-Backbone interact. energy: -0.818 local terms energy: -468.509767 where: bonds (distance) C4'-P energy: -87.364 bonds (distance) P-C4' energy: -101.552 flat angles C4'-P-C4' energy: -102.236 flat angles P-C4'-P energy: -70.594 tors. eta vs tors. theta energy: -106.763 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: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1227.679985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.679985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.679985 (E_RNA) where: Base-Base interactions energy: -817.924 where: short stacking energy: -358.506 Base-Backbone interact. energy: -0.768 local terms energy: -408.988352 where: bonds (distance) C4'-P energy: -87.649 bonds (distance) P-C4' energy: -70.672 flat angles C4'-P-C4' energy: -103.603 flat angles P-C4'-P energy: -71.993 tors. eta vs tors. theta energy: -75.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -907.770346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.770346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.770346 (E_RNA) where: Base-Base interactions energy: -540.811 where: short stacking energy: -261.497 Base-Backbone interact. energy: 0.732 local terms energy: -367.691616 where: bonds (distance) C4'-P energy: -80.629 bonds (distance) P-C4' energy: -94.439 flat angles C4'-P-C4' energy: -93.407 flat angles P-C4'-P energy: -51.363 tors. eta vs tors. theta energy: -47.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -596.536562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.536562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.536562 (E_RNA) where: Base-Base interactions energy: -297.036 where: short stacking energy: -175.569 Base-Backbone interact. energy: 1.708 local terms energy: -301.208872 where: bonds (distance) C4'-P energy: -86.475 bonds (distance) P-C4' energy: -90.040 flat angles C4'-P-C4' energy: -75.767 flat angles P-C4'-P energy: -41.757 tors. eta vs tors. theta energy: -7.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1937.714672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.714672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.714672 (E_RNA) where: Base-Base interactions energy: -1325.276 where: short stacking energy: -553.169 Base-Backbone interact. energy: -3.206 local terms energy: -609.233267 where: bonds (distance) C4'-P energy: -123.344 bonds (distance) P-C4' energy: -103.392 flat angles C4'-P-C4' energy: -127.082 flat angles P-C4'-P energy: -86.367 tors. eta vs tors. theta energy: -169.048 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: 213 Temperature: 0.950000 Total energy: -1839.746408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.746408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.746408 (E_RNA) where: Base-Base interactions energy: -1267.748 where: short stacking energy: -562.916 Base-Backbone interact. energy: -1.702 local terms energy: -570.296597 where: bonds (distance) C4'-P energy: -105.304 bonds (distance) P-C4' energy: -110.105 flat angles C4'-P-C4' energy: -115.739 flat angles P-C4'-P energy: -70.911 tors. eta vs tors. theta energy: -168.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1722.337586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.337586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.337586 (E_RNA) where: Base-Base interactions energy: -1176.435 where: short stacking energy: -496.477 Base-Backbone interact. energy: -3.956 local terms energy: -541.946672 where: bonds (distance) C4'-P energy: -95.627 bonds (distance) P-C4' energy: -102.000 flat angles C4'-P-C4' energy: -120.111 flat angles P-C4'-P energy: -73.543 tors. eta vs tors. theta energy: -150.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1658.935628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.935628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.935628 (E_RNA) where: Base-Base interactions energy: -1159.916 where: short stacking energy: -497.366 Base-Backbone interact. energy: -4.608 local terms energy: -494.411545 where: bonds (distance) C4'-P energy: -102.130 bonds (distance) P-C4' energy: -84.684 flat angles C4'-P-C4' energy: -102.952 flat angles P-C4'-P energy: -67.171 tors. eta vs tors. theta energy: -137.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1630.161328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.161328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.161328 (E_RNA) where: Base-Base interactions energy: -1119.939 where: short stacking energy: -458.769 Base-Backbone interact. energy: 4.303 local terms energy: -514.525555 where: bonds (distance) C4'-P energy: -88.919 bonds (distance) P-C4' energy: -100.495 flat angles C4'-P-C4' energy: -122.928 flat angles P-C4'-P energy: -72.001 tors. eta vs tors. theta energy: -130.182 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: 10 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1575.706238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.706238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.706238 (E_RNA) where: Base-Base interactions energy: -1090.155 where: short stacking energy: -469.590 Base-Backbone interact. energy: 3.912 local terms energy: -489.463146 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -90.367 flat angles C4'-P-C4' energy: -102.633 flat angles P-C4'-P energy: -69.751 tors. eta vs tors. theta energy: -132.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1379.881950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.881950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.881950 (E_RNA) where: Base-Base interactions energy: -923.214 where: short stacking energy: -386.754 Base-Backbone interact. energy: 0.267 local terms energy: -456.935168 where: bonds (distance) C4'-P energy: -83.433 bonds (distance) P-C4' energy: -108.124 flat angles C4'-P-C4' energy: -100.890 flat angles P-C4'-P energy: -67.153 tors. eta vs tors. theta energy: -97.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1159.157396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.157396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.157396 (E_RNA) where: Base-Base interactions energy: -762.528 where: short stacking energy: -339.441 Base-Backbone interact. energy: 1.032 local terms energy: -397.661784 where: bonds (distance) C4'-P energy: -97.411 bonds (distance) P-C4' energy: -85.030 flat angles C4'-P-C4' energy: -89.178 flat angles P-C4'-P energy: -61.816 tors. eta vs tors. theta energy: -64.227 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: 9 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -961.019669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.019669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.019669 (E_RNA) where: Base-Base interactions energy: -580.620 where: short stacking energy: -273.597 Base-Backbone interact. energy: 0.776 local terms energy: -381.175309 where: bonds (distance) C4'-P energy: -87.501 bonds (distance) P-C4' energy: -88.282 flat angles C4'-P-C4' energy: -96.445 flat angles P-C4'-P energy: -50.017 tors. eta vs tors. theta energy: -58.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -536.723996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.723996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.723996 (E_RNA) where: Base-Base interactions energy: -258.428 where: short stacking energy: -141.186 Base-Backbone interact. energy: 4.411 local terms energy: -282.706641 where: bonds (distance) C4'-P energy: -72.735 bonds (distance) P-C4' energy: -80.686 flat angles C4'-P-C4' energy: -61.785 flat angles P-C4'-P energy: -61.024 tors. eta vs tors. theta energy: -6.476 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: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1915.431770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.431770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.431770 (E_RNA) where: Base-Base interactions energy: -1334.096 where: short stacking energy: -558.598 Base-Backbone interact. energy: -3.207 local terms energy: -578.128572 where: bonds (distance) C4'-P energy: -108.256 bonds (distance) P-C4' energy: -96.528 flat angles C4'-P-C4' energy: -128.142 flat angles P-C4'-P energy: -83.247 tors. eta vs tors. theta energy: -161.955 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: 214 Temperature: 0.950000 Total energy: -1855.517205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.517205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.517205 (E_RNA) where: Base-Base interactions energy: -1282.843 where: short stacking energy: -582.763 Base-Backbone interact. energy: -1.866 local terms energy: -570.807631 where: bonds (distance) C4'-P energy: -103.429 bonds (distance) P-C4' energy: -98.220 flat angles C4'-P-C4' energy: -111.195 flat angles P-C4'-P energy: -84.904 tors. eta vs tors. theta energy: -173.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1738.049274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.049274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.049274 (E_RNA) where: Base-Base interactions energy: -1166.284 where: short stacking energy: -517.107 Base-Backbone interact. energy: -3.305 local terms energy: -568.459933 where: bonds (distance) C4'-P energy: -106.808 bonds (distance) P-C4' energy: -109.372 flat angles C4'-P-C4' energy: -121.546 flat angles P-C4'-P energy: -85.513 tors. eta vs tors. theta energy: -145.220 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: 4, replica: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1654.183879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.183879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.183879 (E_RNA) where: Base-Base interactions energy: -1120.423 where: short stacking energy: -469.422 Base-Backbone interact. energy: -0.919 local terms energy: -532.842833 where: bonds (distance) C4'-P energy: -106.384 bonds (distance) P-C4' energy: -109.057 flat angles C4'-P-C4' energy: -109.661 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -133.223 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: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1609.118462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.118462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.118462 (E_RNA) where: Base-Base interactions energy: -1096.095 where: short stacking energy: -444.202 Base-Backbone interact. energy: -3.649 local terms energy: -509.374486 where: bonds (distance) C4'-P energy: -107.910 bonds (distance) P-C4' energy: -88.849 flat angles C4'-P-C4' energy: -110.743 flat angles P-C4'-P energy: -80.317 tors. eta vs tors. theta energy: -121.556 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: 10 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1594.974862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.974862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.974862 (E_RNA) where: Base-Base interactions energy: -1090.041 where: short stacking energy: -467.348 Base-Backbone interact. energy: -0.325 local terms energy: -504.608440 where: bonds (distance) C4'-P energy: -92.607 bonds (distance) P-C4' energy: -109.986 flat angles C4'-P-C4' energy: -108.797 flat angles P-C4'-P energy: -61.850 tors. eta vs tors. theta energy: -131.369 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: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1346.671205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.671205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.671205 (E_RNA) where: Base-Base interactions energy: -886.029 where: short stacking energy: -404.615 Base-Backbone interact. energy: -2.407 local terms energy: -458.235068 where: bonds (distance) C4'-P energy: -85.963 bonds (distance) P-C4' energy: -102.390 flat angles C4'-P-C4' energy: -95.924 flat angles P-C4'-P energy: -66.029 tors. eta vs tors. theta energy: -107.928 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: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1169.771444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.771444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.771444 (E_RNA) where: Base-Base interactions energy: -777.733 where: short stacking energy: -328.448 Base-Backbone interact. energy: 1.169 local terms energy: -393.207131 where: bonds (distance) C4'-P energy: -80.369 bonds (distance) P-C4' energy: -93.774 flat angles C4'-P-C4' energy: -81.398 flat angles P-C4'-P energy: -68.214 tors. eta vs tors. theta energy: -69.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -920.269352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.269352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.269352 (E_RNA) where: Base-Base interactions energy: -560.655 where: short stacking energy: -279.132 Base-Backbone interact. energy: 5.853 local terms energy: -365.467416 where: bonds (distance) C4'-P energy: -92.185 bonds (distance) P-C4' energy: -93.925 flat angles C4'-P-C4' energy: -85.743 flat angles P-C4'-P energy: -49.819 tors. eta vs tors. theta energy: -43.797 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: 8 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -565.419961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.419961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.419961 (E_RNA) where: Base-Base interactions energy: -255.801 where: short stacking energy: -160.341 Base-Backbone interact. energy: 0.781 local terms energy: -310.399573 where: bonds (distance) C4'-P energy: -86.398 bonds (distance) P-C4' energy: -99.412 flat angles C4'-P-C4' energy: -80.760 flat angles P-C4'-P energy: -43.965 tors. eta vs tors. theta energy: 0.134 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: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1938.402630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.402630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.402630 (E_RNA) where: Base-Base interactions energy: -1349.515 where: short stacking energy: -583.627 Base-Backbone interact. energy: -2.523 local terms energy: -586.363912 where: bonds (distance) C4'-P energy: -100.715 bonds (distance) P-C4' energy: -96.794 flat angles C4'-P-C4' energy: -123.237 flat angles P-C4'-P energy: -84.321 tors. eta vs tors. theta energy: -181.296 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: 215 Temperature: 0.950000 Total energy: -1864.754269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.754269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.754269 (E_RNA) where: Base-Base interactions energy: -1289.612 where: short stacking energy: -558.065 Base-Backbone interact. energy: -1.726 local terms energy: -573.417074 where: bonds (distance) C4'-P energy: -98.445 bonds (distance) P-C4' energy: -107.019 flat angles C4'-P-C4' energy: -117.988 flat angles P-C4'-P energy: -82.419 tors. eta vs tors. theta energy: -167.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1746.490157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.490157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.490157 (E_RNA) where: Base-Base interactions energy: -1214.844 where: short stacking energy: -515.187 Base-Backbone interact. energy: -1.776 local terms energy: -529.869719 where: bonds (distance) C4'-P energy: -105.142 bonds (distance) P-C4' energy: -94.981 flat angles C4'-P-C4' energy: -121.203 flat angles P-C4'-P energy: -64.674 tors. eta vs tors. theta energy: -143.871 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: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1639.172115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.172115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.172115 (E_RNA) where: Base-Base interactions energy: -1118.372 where: short stacking energy: -480.798 Base-Backbone interact. energy: -1.245 local terms energy: -519.555896 where: bonds (distance) C4'-P energy: -79.550 bonds (distance) P-C4' energy: -105.873 flat angles C4'-P-C4' energy: -107.521 flat angles P-C4'-P energy: -84.443 tors. eta vs tors. theta energy: -142.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1580.522634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.522634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.522634 (E_RNA) where: Base-Base interactions energy: -1088.085 where: short stacking energy: -457.290 Base-Backbone interact. energy: 2.028 local terms energy: -494.465411 where: bonds (distance) C4'-P energy: -96.140 bonds (distance) P-C4' energy: -100.646 flat angles C4'-P-C4' energy: -111.808 flat angles P-C4'-P energy: -65.362 tors. eta vs tors. theta energy: -120.509 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: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1544.833269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.833269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.833269 (E_RNA) where: Base-Base interactions energy: -1058.721 where: short stacking energy: -457.238 Base-Backbone interact. energy: -1.940 local terms energy: -484.172487 where: bonds (distance) C4'-P energy: -82.249 bonds (distance) P-C4' energy: -108.046 flat angles C4'-P-C4' energy: -118.531 flat angles P-C4'-P energy: -45.817 tors. eta vs tors. theta energy: -129.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1321.282657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.282657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.282657 (E_RNA) where: Base-Base interactions energy: -901.388 where: short stacking energy: -375.781 Base-Backbone interact. energy: -1.490 local terms energy: -418.405567 where: bonds (distance) C4'-P energy: -76.882 bonds (distance) P-C4' energy: -105.163 flat angles C4'-P-C4' energy: -103.030 flat angles P-C4'-P energy: -41.858 tors. eta vs tors. theta energy: -91.472 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: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1185.247052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.247052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.247052 (E_RNA) where: Base-Base interactions energy: -786.800 where: short stacking energy: -330.591 Base-Backbone interact. energy: -1.251 local terms energy: -397.196442 where: bonds (distance) C4'-P energy: -98.264 bonds (distance) P-C4' energy: -100.926 flat angles C4'-P-C4' energy: -75.318 flat angles P-C4'-P energy: -49.794 tors. eta vs tors. theta energy: -72.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -923.284308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.284308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.284308 (E_RNA) where: Base-Base interactions energy: -546.819 where: short stacking energy: -272.787 Base-Backbone interact. energy: -0.960 local terms energy: -375.505771 where: bonds (distance) C4'-P energy: -91.410 bonds (distance) P-C4' energy: -93.573 flat angles C4'-P-C4' energy: -82.730 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: -51.230 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: 8 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -581.266837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.266837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.266837 (E_RNA) where: Base-Base interactions energy: -292.130 where: short stacking energy: -180.201 Base-Backbone interact. energy: 0.540 local terms energy: -289.677215 where: bonds (distance) C4'-P energy: -83.481 bonds (distance) P-C4' energy: -95.183 flat angles C4'-P-C4' energy: -62.298 flat angles P-C4'-P energy: -42.527 tors. eta vs tors. theta energy: -6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1893.402502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.402502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.402502 (E_RNA) where: Base-Base interactions energy: -1304.641 where: short stacking energy: -565.362 Base-Backbone interact. energy: -2.409 local terms energy: -586.352682 where: bonds (distance) C4'-P energy: -111.244 bonds (distance) P-C4' energy: -104.405 flat angles C4'-P-C4' energy: -108.221 flat angles P-C4'-P energy: -91.515 tors. eta vs tors. theta energy: -170.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1838.641680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.641680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.641680 (E_RNA) where: Base-Base interactions energy: -1262.157 where: short stacking energy: -569.577 Base-Backbone interact. energy: -4.517 local terms energy: -571.967978 where: bonds (distance) C4'-P energy: -107.297 bonds (distance) P-C4' energy: -95.805 flat angles C4'-P-C4' energy: -111.011 flat angles P-C4'-P energy: -84.088 tors. eta vs tors. theta energy: -173.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1734.543158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.543158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.543158 (E_RNA) where: Base-Base interactions energy: -1183.391 where: short stacking energy: -510.471 Base-Backbone interact. energy: 4.419 local terms energy: -555.571288 where: bonds (distance) C4'-P energy: -110.754 bonds (distance) P-C4' energy: -108.329 flat angles C4'-P-C4' energy: -111.808 flat angles P-C4'-P energy: -76.996 tors. eta vs tors. theta energy: -147.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1642.109917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.109917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.109917 (E_RNA) where: Base-Base interactions energy: -1132.018 where: short stacking energy: -477.690 Base-Backbone interact. energy: -2.029 local terms energy: -508.062715 where: bonds (distance) C4'-P energy: -93.176 bonds (distance) P-C4' energy: -87.411 flat angles C4'-P-C4' energy: -127.335 flat angles P-C4'-P energy: -65.660 tors. eta vs tors. theta energy: -134.480 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: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1546.308600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.308600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.308600 (E_RNA) where: Base-Base interactions energy: -1051.655 where: short stacking energy: -440.640 Base-Backbone interact. energy: -0.007 local terms energy: -494.647370 where: bonds (distance) C4'-P energy: -100.370 bonds (distance) P-C4' energy: -101.045 flat angles C4'-P-C4' energy: -116.233 flat angles P-C4'-P energy: -56.465 tors. eta vs tors. theta energy: -120.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1557.206208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.206208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.206208 (E_RNA) where: Base-Base interactions energy: -1075.636 where: short stacking energy: -442.631 Base-Backbone interact. energy: -4.917 local terms energy: -476.652680 where: bonds (distance) C4'-P energy: -97.709 bonds (distance) P-C4' energy: -93.900 flat angles C4'-P-C4' energy: -103.885 flat angles P-C4'-P energy: -60.224 tors. eta vs tors. theta energy: -120.935 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: 216 Temperature: 1.200000 Total energy: -1345.616112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.616112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.616112 (E_RNA) where: Base-Base interactions energy: -904.708 where: short stacking energy: -380.430 Base-Backbone interact. energy: 0.431 local terms energy: -441.339813 where: bonds (distance) C4'-P energy: -81.681 bonds (distance) P-C4' energy: -104.166 flat angles C4'-P-C4' energy: -101.502 flat angles P-C4'-P energy: -65.847 tors. eta vs tors. theta energy: -88.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1205.556850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.556850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.556850 (E_RNA) where: Base-Base interactions energy: -810.651 where: short stacking energy: -359.091 Base-Backbone interact. energy: 0.494 local terms energy: -395.400545 where: bonds (distance) C4'-P energy: -75.589 bonds (distance) P-C4' energy: -90.852 flat angles C4'-P-C4' energy: -87.919 flat angles P-C4'-P energy: -56.177 tors. eta vs tors. theta energy: -84.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -813.464802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.464802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.464802 (E_RNA) where: Base-Base interactions energy: -460.491 where: short stacking energy: -201.980 Base-Backbone interact. energy: 0.638 local terms energy: -353.611930 where: bonds (distance) C4'-P energy: -90.811 bonds (distance) P-C4' energy: -96.053 flat angles C4'-P-C4' energy: -85.259 flat angles P-C4'-P energy: -58.654 tors. eta vs tors. theta energy: -22.835 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: 8 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -589.061232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.061232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.061232 (E_RNA) where: Base-Base interactions energy: -282.096 where: short stacking energy: -129.385 Base-Backbone interact. energy: -2.152 local terms energy: -304.812431 where: bonds (distance) C4'-P energy: -92.294 bonds (distance) P-C4' energy: -94.166 flat angles C4'-P-C4' energy: -83.747 flat angles P-C4'-P energy: -37.049 tors. eta vs tors. theta energy: 2.443 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: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1916.382151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.382151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.382151 (E_RNA) where: Base-Base interactions energy: -1321.705 where: short stacking energy: -575.016 Base-Backbone interact. energy: 0.629 local terms energy: -595.305396 where: bonds (distance) C4'-P energy: -104.981 bonds (distance) P-C4' energy: -112.305 flat angles C4'-P-C4' energy: -124.779 flat angles P-C4'-P energy: -85.199 tors. eta vs tors. theta energy: -168.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1829.538486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.538486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.538486 (E_RNA) where: Base-Base interactions energy: -1237.292 where: short stacking energy: -559.869 Base-Backbone interact. energy: -2.634 local terms energy: -589.613289 where: bonds (distance) C4'-P energy: -107.269 bonds (distance) P-C4' energy: -102.225 flat angles C4'-P-C4' energy: -130.154 flat angles P-C4'-P energy: -86.674 tors. eta vs tors. theta energy: -163.290 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: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1702.436734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.436734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.436734 (E_RNA) where: Base-Base interactions energy: -1170.700 where: short stacking energy: -491.578 Base-Backbone interact. energy: -2.167 local terms energy: -529.569625 where: bonds (distance) C4'-P energy: -92.417 bonds (distance) P-C4' energy: -112.634 flat angles C4'-P-C4' energy: -104.336 flat angles P-C4'-P energy: -71.852 tors. eta vs tors. theta energy: -148.331 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: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1652.457152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.457152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.457152 (E_RNA) where: Base-Base interactions energy: -1110.620 where: short stacking energy: -493.750 Base-Backbone interact. energy: 0.417 local terms energy: -542.254581 where: bonds (distance) C4'-P energy: -98.178 bonds (distance) P-C4' energy: -103.566 flat angles C4'-P-C4' energy: -127.716 flat angles P-C4'-P energy: -74.834 tors. eta vs tors. theta energy: -137.960 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: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1569.744976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.744976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.744976 (E_RNA) where: Base-Base interactions energy: -1064.200 where: short stacking energy: -433.408 Base-Backbone interact. energy: -1.938 local terms energy: -503.607692 where: bonds (distance) C4'-P energy: -109.403 bonds (distance) P-C4' energy: -94.874 flat angles C4'-P-C4' energy: -99.199 flat angles P-C4'-P energy: -67.910 tors. eta vs tors. theta energy: -132.222 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: 4 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1472.617682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.617682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.617682 (E_RNA) where: Base-Base interactions energy: -1032.082 where: short stacking energy: -435.014 Base-Backbone interact. energy: -1.511 local terms energy: -439.025069 where: bonds (distance) C4'-P energy: -70.922 bonds (distance) P-C4' energy: -96.107 flat angles C4'-P-C4' energy: -96.962 flat angles P-C4'-P energy: -67.453 tors. eta vs tors. theta energy: -107.582 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: 217 Temperature: 1.200000 Total energy: -1347.305489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.305489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.305489 (E_RNA) where: Base-Base interactions energy: -890.628 where: short stacking energy: -377.232 Base-Backbone interact. energy: 1.810 local terms energy: -458.487607 where: bonds (distance) C4'-P energy: -97.621 bonds (distance) P-C4' energy: -99.948 flat angles C4'-P-C4' energy: -107.919 flat angles P-C4'-P energy: -61.452 tors. eta vs tors. theta energy: -91.548 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: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1248.540709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.540709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.540709 (E_RNA) where: Base-Base interactions energy: -825.439 where: short stacking energy: -365.760 Base-Backbone interact. energy: 1.582 local terms energy: -424.684273 where: bonds (distance) C4'-P energy: -74.689 bonds (distance) P-C4' energy: -92.435 flat angles C4'-P-C4' energy: -95.888 flat angles P-C4'-P energy: -65.874 tors. eta vs tors. theta energy: -95.798 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: 217 Temperature: 1.300000 Total energy: -815.727618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.727618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.727618 (E_RNA) where: Base-Base interactions energy: -472.725 where: short stacking energy: -220.300 Base-Backbone interact. energy: -1.116 local terms energy: -341.886604 where: bonds (distance) C4'-P energy: -76.118 bonds (distance) P-C4' energy: -99.719 flat angles C4'-P-C4' energy: -89.630 flat angles P-C4'-P energy: -54.601 tors. eta vs tors. theta energy: -21.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -559.400649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.400649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.400649 (E_RNA) where: Base-Base interactions energy: -259.233 where: short stacking energy: -149.222 Base-Backbone interact. energy: -1.653 local terms energy: -298.514692 where: bonds (distance) C4'-P energy: -84.075 bonds (distance) P-C4' energy: -101.979 flat angles C4'-P-C4' energy: -69.097 flat angles P-C4'-P energy: -31.856 tors. eta vs tors. theta energy: -11.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1921.011499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.011499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.011499 (E_RNA) where: Base-Base interactions energy: -1294.692 where: short stacking energy: -553.705 Base-Backbone interact. energy: -0.837 local terms energy: -625.482433 where: bonds (distance) C4'-P energy: -120.597 bonds (distance) P-C4' energy: -119.599 flat angles C4'-P-C4' energy: -123.586 flat angles P-C4'-P energy: -84.356 tors. eta vs tors. theta energy: -177.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1832.045794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.045794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.045794 (E_RNA) where: Base-Base interactions energy: -1261.479 where: short stacking energy: -564.833 Base-Backbone interact. energy: -1.869 local terms energy: -568.698440 where: bonds (distance) C4'-P energy: -106.139 bonds (distance) P-C4' energy: -95.762 flat angles C4'-P-C4' energy: -120.301 flat angles P-C4'-P energy: -76.299 tors. eta vs tors. theta energy: -170.198 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: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1736.415384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.415384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.415384 (E_RNA) where: Base-Base interactions energy: -1184.434 where: short stacking energy: -508.209 Base-Backbone interact. energy: -4.498 local terms energy: -547.483790 where: bonds (distance) C4'-P energy: -103.090 bonds (distance) P-C4' energy: -92.495 flat angles C4'-P-C4' energy: -116.329 flat angles P-C4'-P energy: -78.039 tors. eta vs tors. theta energy: -157.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1665.003098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.003098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.003098 (E_RNA) where: Base-Base interactions energy: -1151.375 where: short stacking energy: -515.668 Base-Backbone interact. energy: -0.157 local terms energy: -513.471873 where: bonds (distance) C4'-P energy: -96.045 bonds (distance) P-C4' energy: -92.336 flat angles C4'-P-C4' energy: -114.050 flat angles P-C4'-P energy: -69.301 tors. eta vs tors. theta energy: -141.739 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: 5, replica: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1565.538536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.538536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.538536 (E_RNA) where: Base-Base interactions energy: -1083.130 where: short stacking energy: -460.590 Base-Backbone interact. energy: -2.921 local terms energy: -479.487858 where: bonds (distance) C4'-P energy: -81.598 bonds (distance) P-C4' energy: -103.047 flat angles C4'-P-C4' energy: -109.760 flat angles P-C4'-P energy: -57.544 tors. eta vs tors. theta energy: -127.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1466.447905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.447905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.447905 (E_RNA) where: Base-Base interactions energy: -995.112 where: short stacking energy: -400.948 Base-Backbone interact. energy: 0.119 local terms energy: -471.454850 where: bonds (distance) C4'-P energy: -87.371 bonds (distance) P-C4' energy: -97.524 flat angles C4'-P-C4' energy: -120.753 flat angles P-C4'-P energy: -64.621 tors. eta vs tors. theta energy: -101.186 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: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1299.517895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.517895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.517895 (E_RNA) where: Base-Base interactions energy: -879.276 where: short stacking energy: -371.712 Base-Backbone interact. energy: -2.962 local terms energy: -417.280008 where: bonds (distance) C4'-P energy: -89.491 bonds (distance) P-C4' energy: -77.642 flat angles C4'-P-C4' energy: -92.993 flat angles P-C4'-P energy: -67.280 tors. eta vs tors. theta energy: -89.873 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: 2 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1225.297671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.297671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.297671 (E_RNA) where: Base-Base interactions energy: -800.133 where: short stacking energy: -346.921 Base-Backbone interact. energy: -0.702 local terms energy: -424.463055 where: bonds (distance) C4'-P energy: -90.583 bonds (distance) P-C4' energy: -96.115 flat angles C4'-P-C4' energy: -98.680 flat angles P-C4'-P energy: -60.916 tors. eta vs tors. theta energy: -78.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -892.141928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.141928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.141928 (E_RNA) where: Base-Base interactions energy: -518.538 where: short stacking energy: -257.256 Base-Backbone interact. energy: 0.497 local terms energy: -374.101052 where: bonds (distance) C4'-P energy: -83.720 bonds (distance) P-C4' energy: -90.902 flat angles C4'-P-C4' energy: -103.727 flat angles P-C4'-P energy: -45.897 tors. eta vs tors. theta energy: -49.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -585.592968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.592968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.592968 (E_RNA) where: Base-Base interactions energy: -293.687 where: short stacking energy: -155.831 Base-Backbone interact. energy: 0.732 local terms energy: -292.638089 where: bonds (distance) C4'-P energy: -74.999 bonds (distance) P-C4' energy: -96.287 flat angles C4'-P-C4' energy: -88.090 flat angles P-C4'-P energy: -44.020 tors. eta vs tors. theta energy: 10.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1930.053263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.053263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.053263 (E_RNA) where: Base-Base interactions energy: -1318.903 where: short stacking energy: -567.507 Base-Backbone interact. energy: -1.916 local terms energy: -609.234457 where: bonds (distance) C4'-P energy: -108.681 bonds (distance) P-C4' energy: -112.109 flat angles C4'-P-C4' energy: -125.534 flat angles P-C4'-P energy: -88.225 tors. eta vs tors. theta energy: -174.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1849.738613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.738613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.738613 (E_RNA) where: Base-Base interactions energy: -1253.939 where: short stacking energy: -537.571 Base-Backbone interact. energy: -2.913 local terms energy: -592.886433 where: bonds (distance) C4'-P energy: -106.109 bonds (distance) P-C4' energy: -115.899 flat angles C4'-P-C4' energy: -126.852 flat angles P-C4'-P energy: -84.871 tors. eta vs tors. theta energy: -159.155 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: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1709.590508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.590508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.590508 (E_RNA) where: Base-Base interactions energy: -1160.015 where: short stacking energy: -490.753 Base-Backbone interact. energy: -1.023 local terms energy: -548.552097 where: bonds (distance) C4'-P energy: -99.870 bonds (distance) P-C4' energy: -103.083 flat angles C4'-P-C4' energy: -120.416 flat angles P-C4'-P energy: -76.230 tors. eta vs tors. theta energy: -148.953 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: 4, replica: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1652.183820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.183820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.183820 (E_RNA) where: Base-Base interactions energy: -1137.316 where: short stacking energy: -499.173 Base-Backbone interact. energy: -3.008 local terms energy: -511.860139 where: bonds (distance) C4'-P energy: -102.718 bonds (distance) P-C4' energy: -78.641 flat angles C4'-P-C4' energy: -122.489 flat angles P-C4'-P energy: -68.468 tors. eta vs tors. theta energy: -139.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1594.033569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.033569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.033569 (E_RNA) where: Base-Base interactions energy: -1100.230 where: short stacking energy: -450.133 Base-Backbone interact. energy: -3.277 local terms energy: -490.526662 where: bonds (distance) C4'-P energy: -91.701 bonds (distance) P-C4' energy: -101.638 flat angles C4'-P-C4' energy: -107.531 flat angles P-C4'-P energy: -63.714 tors. eta vs tors. theta energy: -125.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1444.477910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.477910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.477910 (E_RNA) where: Base-Base interactions energy: -991.576 where: short stacking energy: -395.210 Base-Backbone interact. energy: -2.767 local terms energy: -450.134922 where: bonds (distance) C4'-P energy: -92.397 bonds (distance) P-C4' energy: -93.739 flat angles C4'-P-C4' energy: -105.604 flat angles P-C4'-P energy: -63.318 tors. eta vs tors. theta energy: -95.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1343.900448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.900448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.900448 (E_RNA) where: Base-Base interactions energy: -899.494 where: short stacking energy: -383.062 Base-Backbone interact. energy: -0.086 local terms energy: -444.319882 where: bonds (distance) C4'-P energy: -101.516 bonds (distance) P-C4' energy: -89.766 flat angles C4'-P-C4' energy: -99.814 flat angles P-C4'-P energy: -62.670 tors. eta vs tors. theta energy: -90.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1237.298103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.298103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.298103 (E_RNA) where: Base-Base interactions energy: -818.500 where: short stacking energy: -344.382 Base-Backbone interact. energy: 6.487 local terms energy: -425.285833 where: bonds (distance) C4'-P energy: -81.908 bonds (distance) P-C4' energy: -93.987 flat angles C4'-P-C4' energy: -93.641 flat angles P-C4'-P energy: -63.504 tors. eta vs tors. theta energy: -92.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -917.712740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.712740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.712740 (E_RNA) where: Base-Base interactions energy: -549.145 where: short stacking energy: -252.945 Base-Backbone interact. energy: -0.349 local terms energy: -368.219210 where: bonds (distance) C4'-P energy: -94.555 bonds (distance) P-C4' energy: -93.833 flat angles C4'-P-C4' energy: -90.496 flat angles P-C4'-P energy: -53.301 tors. eta vs tors. theta energy: -36.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -601.558396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.558396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.558396 (E_RNA) where: Base-Base interactions energy: -291.596 where: short stacking energy: -192.301 Base-Backbone interact. energy: -0.710 local terms energy: -309.252100 where: bonds (distance) C4'-P energy: -93.627 bonds (distance) P-C4' energy: -92.121 flat angles C4'-P-C4' energy: -79.559 flat angles P-C4'-P energy: -37.129 tors. eta vs tors. theta energy: -6.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1888.491924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.491924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.491924 (E_RNA) where: Base-Base interactions energy: -1293.666 where: short stacking energy: -582.112 Base-Backbone interact. energy: -5.159 local terms energy: -589.666730 where: bonds (distance) C4'-P energy: -110.922 bonds (distance) P-C4' energy: -103.647 flat angles C4'-P-C4' energy: -136.614 flat angles P-C4'-P energy: -80.585 tors. eta vs tors. theta energy: -157.898 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: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1878.147424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.147424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.147424 (E_RNA) where: Base-Base interactions energy: -1292.100 where: short stacking energy: -537.871 Base-Backbone interact. energy: -2.627 local terms energy: -583.420184 where: bonds (distance) C4'-P energy: -100.093 bonds (distance) P-C4' energy: -107.729 flat angles C4'-P-C4' energy: -113.847 flat angles P-C4'-P energy: -94.149 tors. eta vs tors. theta energy: -167.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1706.135916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.135916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.135916 (E_RNA) where: Base-Base interactions energy: -1171.078 where: short stacking energy: -508.104 Base-Backbone interact. energy: 1.984 local terms energy: -537.041993 where: bonds (distance) C4'-P energy: -93.547 bonds (distance) P-C4' energy: -99.033 flat angles C4'-P-C4' energy: -117.203 flat angles P-C4'-P energy: -79.394 tors. eta vs tors. theta energy: -147.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1600.489697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.489697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.489697 (E_RNA) where: Base-Base interactions energy: -1066.887 where: short stacking energy: -470.490 Base-Backbone interact. energy: -1.652 local terms energy: -531.951136 where: bonds (distance) C4'-P energy: -96.331 bonds (distance) P-C4' energy: -97.965 flat angles C4'-P-C4' energy: -117.055 flat angles P-C4'-P energy: -85.448 tors. eta vs tors. theta energy: -135.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1598.569346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.569346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.569346 (E_RNA) where: Base-Base interactions energy: -1080.991 where: short stacking energy: -454.372 Base-Backbone interact. energy: -0.347 local terms energy: -517.232170 where: bonds (distance) C4'-P energy: -106.771 bonds (distance) P-C4' energy: -88.625 flat angles C4'-P-C4' energy: -115.004 flat angles P-C4'-P energy: -69.066 tors. eta vs tors. theta energy: -137.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1496.249014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.249014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.249014 (E_RNA) where: Base-Base interactions energy: -1024.978 where: short stacking energy: -415.201 Base-Backbone interact. energy: -2.518 local terms energy: -468.752679 where: bonds (distance) C4'-P energy: -96.995 bonds (distance) P-C4' energy: -93.740 flat angles C4'-P-C4' energy: -108.333 flat angles P-C4'-P energy: -66.096 tors. eta vs tors. theta energy: -103.589 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: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1278.814156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.814156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.814156 (E_RNA) where: Base-Base interactions energy: -855.060 where: short stacking energy: -374.781 Base-Backbone interact. energy: -0.219 local terms energy: -423.534926 where: bonds (distance) C4'-P energy: -85.574 bonds (distance) P-C4' energy: -90.148 flat angles C4'-P-C4' energy: -99.674 flat angles P-C4'-P energy: -53.079 tors. eta vs tors. theta energy: -95.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1244.960386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.960386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.960386 (E_RNA) where: Base-Base interactions energy: -816.148 where: short stacking energy: -359.275 Base-Backbone interact. energy: -2.535 local terms energy: -426.276921 where: bonds (distance) C4'-P energy: -96.730 bonds (distance) P-C4' energy: -96.119 flat angles C4'-P-C4' energy: -93.894 flat angles P-C4'-P energy: -55.850 tors. eta vs tors. theta energy: -83.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -877.796823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.796823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.796823 (E_RNA) where: Base-Base interactions energy: -544.136 where: short stacking energy: -248.238 Base-Backbone interact. energy: -1.820 local terms energy: -331.840368 where: bonds (distance) C4'-P energy: -74.771 bonds (distance) P-C4' energy: -78.024 flat angles C4'-P-C4' energy: -91.227 flat angles P-C4'-P energy: -53.373 tors. eta vs tors. theta energy: -34.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -531.783564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.783564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.783564 (E_RNA) where: Base-Base interactions energy: -238.373 where: short stacking energy: -141.911 Base-Backbone interact. energy: -0.245 local terms energy: -293.165680 where: bonds (distance) C4'-P energy: -70.088 bonds (distance) P-C4' energy: -103.931 flat angles C4'-P-C4' energy: -70.134 flat angles P-C4'-P energy: -60.756 tors. eta vs tors. theta energy: 11.743 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: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1911.489248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.489248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.489248 (E_RNA) where: Base-Base interactions energy: -1308.248 where: short stacking energy: -598.311 Base-Backbone interact. energy: -6.603 local terms energy: -596.637451 where: bonds (distance) C4'-P energy: -110.197 bonds (distance) P-C4' energy: -108.187 flat angles C4'-P-C4' energy: -120.130 flat angles P-C4'-P energy: -80.359 tors. eta vs tors. theta energy: -177.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1847.668414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.668414 (E_RNA) where: Base-Base interactions energy: -1267.444 where: short stacking energy: -537.091 Base-Backbone interact. energy: 0.785 local terms energy: -581.009330 where: bonds (distance) C4'-P energy: -111.738 bonds (distance) P-C4' energy: -110.419 flat angles C4'-P-C4' energy: -124.994 flat angles P-C4'-P energy: -76.276 tors. eta vs tors. theta energy: -157.582 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: 3, replica: 3 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1724.572083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.572083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.572083 (E_RNA) where: Base-Base interactions energy: -1158.067 where: short stacking energy: -499.127 Base-Backbone interact. energy: 2.503 local terms energy: -569.008473 where: bonds (distance) C4'-P energy: -96.366 bonds (distance) P-C4' energy: -113.222 flat angles C4'-P-C4' energy: -118.187 flat angles P-C4'-P energy: -82.991 tors. eta vs tors. theta energy: -158.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1637.808794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.808794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.808794 (E_RNA) where: Base-Base interactions energy: -1106.956 where: short stacking energy: -458.807 Base-Backbone interact. energy: 1.708 local terms energy: -532.560325 where: bonds (distance) C4'-P energy: -96.380 bonds (distance) P-C4' energy: -104.873 flat angles C4'-P-C4' energy: -125.464 flat angles P-C4'-P energy: -78.102 tors. eta vs tors. theta energy: -127.741 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: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1610.980664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.980664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.980664 (E_RNA) where: Base-Base interactions energy: -1092.847 where: short stacking energy: -463.651 Base-Backbone interact. energy: 0.597 local terms energy: -518.730923 where: bonds (distance) C4'-P energy: -100.862 bonds (distance) P-C4' energy: -88.307 flat angles C4'-P-C4' energy: -116.051 flat angles P-C4'-P energy: -83.923 tors. eta vs tors. theta energy: -129.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1523.382379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.382379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.382379 (E_RNA) where: Base-Base interactions energy: -1058.579 where: short stacking energy: -433.868 Base-Backbone interact. energy: 0.069 local terms energy: -464.872880 where: bonds (distance) C4'-P energy: -100.357 bonds (distance) P-C4' energy: -95.317 flat angles C4'-P-C4' energy: -104.237 flat angles P-C4'-P energy: -51.982 tors. eta vs tors. theta energy: -112.980 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: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1277.409076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.409076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.409076 (E_RNA) where: Base-Base interactions energy: -843.830 where: short stacking energy: -356.752 Base-Backbone interact. energy: -2.186 local terms energy: -431.392236 where: bonds (distance) C4'-P energy: -83.661 bonds (distance) P-C4' energy: -106.640 flat angles C4'-P-C4' energy: -106.952 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -81.174 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: 6 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1226.993776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.993776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.993776 (E_RNA) where: Base-Base interactions energy: -851.033 where: short stacking energy: -351.231 Base-Backbone interact. energy: -0.764 local terms energy: -375.196753 where: bonds (distance) C4'-P energy: -86.220 bonds (distance) P-C4' energy: -74.942 flat angles C4'-P-C4' energy: -89.487 flat angles P-C4'-P energy: -58.091 tors. eta vs tors. theta energy: -66.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -866.816478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.816478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.816478 (E_RNA) where: Base-Base interactions energy: -523.299 where: short stacking energy: -261.098 Base-Backbone interact. energy: 1.331 local terms energy: -344.848593 where: bonds (distance) C4'-P energy: -62.207 bonds (distance) P-C4' energy: -99.127 flat angles C4'-P-C4' energy: -91.053 flat angles P-C4'-P energy: -56.508 tors. eta vs tors. theta energy: -35.954 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: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -555.153694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.153694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.153694 (E_RNA) where: Base-Base interactions energy: -267.455 where: short stacking energy: -148.588 Base-Backbone interact. energy: 1.091 local terms energy: -288.789671 where: bonds (distance) C4'-P energy: -102.316 bonds (distance) P-C4' energy: -94.901 flat angles C4'-P-C4' energy: -64.615 flat angles P-C4'-P energy: -38.381 tors. eta vs tors. theta energy: 11.424 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: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1900.979399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.979399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.979399 (E_RNA) where: Base-Base interactions energy: -1292.868 where: short stacking energy: -578.050 Base-Backbone interact. energy: -3.651 local terms energy: -604.460731 where: bonds (distance) C4'-P energy: -110.564 bonds (distance) P-C4' energy: -109.989 flat angles C4'-P-C4' energy: -128.238 flat angles P-C4'-P energy: -81.952 tors. eta vs tors. theta energy: -173.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1857.346045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.346045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.346045 (E_RNA) where: Base-Base interactions energy: -1258.414 where: short stacking energy: -542.651 Base-Backbone interact. energy: -1.891 local terms energy: -597.040774 where: bonds (distance) C4'-P energy: -99.632 bonds (distance) P-C4' energy: -126.742 flat angles C4'-P-C4' energy: -122.514 flat angles P-C4'-P energy: -79.666 tors. eta vs tors. theta energy: -168.487 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: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1730.996701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.996701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.996701 (E_RNA) where: Base-Base interactions energy: -1171.351 where: short stacking energy: -513.224 Base-Backbone interact. energy: -0.275 local terms energy: -559.371133 where: bonds (distance) C4'-P energy: -95.707 bonds (distance) P-C4' energy: -100.698 flat angles C4'-P-C4' energy: -118.416 flat angles P-C4'-P energy: -87.474 tors. eta vs tors. theta energy: -157.076 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: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1637.334313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.334313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.334313 (E_RNA) where: Base-Base interactions energy: -1112.169 where: short stacking energy: -490.893 Base-Backbone interact. energy: -1.310 local terms energy: -523.854802 where: bonds (distance) C4'-P energy: -92.727 bonds (distance) P-C4' energy: -105.392 flat angles C4'-P-C4' energy: -111.322 flat angles P-C4'-P energy: -70.149 tors. eta vs tors. theta energy: -144.264 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: 5, replica: 1 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1601.178865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.178865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.178865 (E_RNA) where: Base-Base interactions energy: -1115.521 where: short stacking energy: -463.889 Base-Backbone interact. energy: 4.103 local terms energy: -489.760195 where: bonds (distance) C4'-P energy: -105.225 bonds (distance) P-C4' energy: -98.906 flat angles C4'-P-C4' energy: -116.368 flat angles P-C4'-P energy: -51.610 tors. eta vs tors. theta energy: -117.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1455.593101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.593101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.593101 (E_RNA) where: Base-Base interactions energy: -984.329 where: short stacking energy: -423.333 Base-Backbone interact. energy: 0.242 local terms energy: -471.505545 where: bonds (distance) C4'-P energy: -105.321 bonds (distance) P-C4' energy: -105.335 flat angles C4'-P-C4' energy: -90.512 flat angles P-C4'-P energy: -57.333 tors. eta vs tors. theta energy: -113.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1310.825925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.825925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.825925 (E_RNA) where: Base-Base interactions energy: -889.520 where: short stacking energy: -384.206 Base-Backbone interact. energy: 0.945 local terms energy: -422.250934 where: bonds (distance) C4'-P energy: -89.092 bonds (distance) P-C4' energy: -88.834 flat angles C4'-P-C4' energy: -90.524 flat angles P-C4'-P energy: -68.958 tors. eta vs tors. theta energy: -84.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1214.909551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.909551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.909551 (E_RNA) where: Base-Base interactions energy: -800.029 where: short stacking energy: -333.793 Base-Backbone interact. energy: -5.189 local terms energy: -409.691775 where: bonds (distance) C4'-P energy: -93.028 bonds (distance) P-C4' energy: -92.544 flat angles C4'-P-C4' energy: -77.929 flat angles P-C4'-P energy: -61.512 tors. eta vs tors. theta energy: -84.679 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: 9 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1009.187437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.187437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.187437 (E_RNA) where: Base-Base interactions energy: -624.450 where: short stacking energy: -305.694 Base-Backbone interact. energy: 0.277 local terms energy: -385.013937 where: bonds (distance) C4'-P energy: -96.012 bonds (distance) P-C4' energy: -90.483 flat angles C4'-P-C4' energy: -90.866 flat angles P-C4'-P energy: -47.803 tors. eta vs tors. theta energy: -59.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -560.714544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.714544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.714544 (E_RNA) where: Base-Base interactions energy: -269.293 where: short stacking energy: -154.800 Base-Backbone interact. energy: 2.146 local terms energy: -293.568272 where: bonds (distance) C4'-P energy: -83.271 bonds (distance) P-C4' energy: -96.645 flat angles C4'-P-C4' energy: -71.754 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: 0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1909.676446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.676446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.676446 (E_RNA) where: Base-Base interactions energy: -1307.378 where: short stacking energy: -577.449 Base-Backbone interact. energy: -3.956 local terms energy: -598.341878 where: bonds (distance) C4'-P energy: -113.925 bonds (distance) P-C4' energy: -100.757 flat angles C4'-P-C4' energy: -127.226 flat angles P-C4'-P energy: -90.370 tors. eta vs tors. theta energy: -166.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1847.621053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.621053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.621053 (E_RNA) where: Base-Base interactions energy: -1275.115 where: short stacking energy: -567.080 Base-Backbone interact. energy: -3.627 local terms energy: -568.878791 where: bonds (distance) C4'-P energy: -98.474 bonds (distance) P-C4' energy: -107.386 flat angles C4'-P-C4' energy: -117.069 flat angles P-C4'-P energy: -86.473 tors. eta vs tors. theta energy: -159.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1707.991679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.991679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.991679 (E_RNA) where: Base-Base interactions energy: -1148.541 where: short stacking energy: -484.697 Base-Backbone interact. energy: -0.723 local terms energy: -558.727839 where: bonds (distance) C4'-P energy: -114.444 bonds (distance) P-C4' energy: -110.534 flat angles C4'-P-C4' energy: -123.824 flat angles P-C4'-P energy: -68.657 tors. eta vs tors. theta energy: -141.269 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: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1650.888942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.888942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.888942 (E_RNA) where: Base-Base interactions energy: -1146.755 where: short stacking energy: -490.913 Base-Backbone interact. energy: -1.624 local terms energy: -502.509748 where: bonds (distance) C4'-P energy: -90.718 bonds (distance) P-C4' energy: -92.265 flat angles C4'-P-C4' energy: -111.247 flat angles P-C4'-P energy: -76.556 tors. eta vs tors. theta energy: -131.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1591.603930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.603930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.603930 (E_RNA) where: Base-Base interactions energy: -1075.745 where: short stacking energy: -458.834 Base-Backbone interact. energy: -0.294 local terms energy: -515.564934 where: bonds (distance) C4'-P energy: -94.059 bonds (distance) P-C4' energy: -102.725 flat angles C4'-P-C4' energy: -113.254 flat angles P-C4'-P energy: -60.266 tors. eta vs tors. theta energy: -145.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1465.842809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.842809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.842809 (E_RNA) where: Base-Base interactions energy: -981.034 where: short stacking energy: -409.738 Base-Backbone interact. energy: -1.133 local terms energy: -483.675247 where: bonds (distance) C4'-P energy: -92.517 bonds (distance) P-C4' energy: -100.341 flat angles C4'-P-C4' energy: -108.080 flat angles P-C4'-P energy: -71.315 tors. eta vs tors. theta energy: -111.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1292.486504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.486504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.486504 (E_RNA) where: Base-Base interactions energy: -852.535 where: short stacking energy: -352.389 Base-Backbone interact. energy: -2.172 local terms energy: -437.779741 where: bonds (distance) C4'-P energy: -91.480 bonds (distance) P-C4' energy: -88.470 flat angles C4'-P-C4' energy: -102.903 flat angles P-C4'-P energy: -65.038 tors. eta vs tors. theta energy: -89.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1175.987547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.987547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.987547 (E_RNA) where: Base-Base interactions energy: -756.344 where: short stacking energy: -351.192 Base-Backbone interact. energy: -1.016 local terms energy: -418.628245 where: bonds (distance) C4'-P energy: -92.540 bonds (distance) P-C4' energy: -85.011 flat angles C4'-P-C4' energy: -85.592 flat angles P-C4'-P energy: -81.763 tors. eta vs tors. theta energy: -73.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -985.851099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.851099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.851099 (E_RNA) where: Base-Base interactions energy: -609.772 where: short stacking energy: -285.329 Base-Backbone interact. energy: -0.233 local terms energy: -375.846879 where: bonds (distance) C4'-P energy: -78.062 bonds (distance) P-C4' energy: -97.508 flat angles C4'-P-C4' energy: -90.385 flat angles P-C4'-P energy: -46.097 tors. eta vs tors. theta energy: -63.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -541.195588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.195588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.195588 (E_RNA) where: Base-Base interactions energy: -264.432 where: short stacking energy: -143.506 Base-Backbone interact. energy: -3.635 local terms energy: -273.128409 where: bonds (distance) C4'-P energy: -88.982 bonds (distance) P-C4' energy: -81.771 flat angles C4'-P-C4' energy: -68.280 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: 14.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1902.804053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.804053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.804053 (E_RNA) where: Base-Base interactions energy: -1306.844 where: short stacking energy: -567.529 Base-Backbone interact. energy: -1.326 local terms energy: -594.633776 where: bonds (distance) C4'-P energy: -113.075 bonds (distance) P-C4' energy: -100.939 flat angles C4'-P-C4' energy: -130.425 flat angles P-C4'-P energy: -88.643 tors. eta vs tors. theta energy: -161.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1869.536422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.536422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.536422 (E_RNA) where: Base-Base interactions energy: -1274.922 where: short stacking energy: -557.725 Base-Backbone interact. energy: -3.918 local terms energy: -590.696274 where: bonds (distance) C4'-P energy: -102.028 bonds (distance) P-C4' energy: -107.608 flat angles C4'-P-C4' energy: -126.453 flat angles P-C4'-P energy: -82.723 tors. eta vs tors. theta energy: -171.885 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: 3 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1705.151969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.151969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.151969 (E_RNA) where: Base-Base interactions energy: -1178.020 where: short stacking energy: -495.170 Base-Backbone interact. energy: -4.174 local terms energy: -522.957851 where: bonds (distance) C4'-P energy: -96.106 bonds (distance) P-C4' energy: -94.480 flat angles C4'-P-C4' energy: -115.803 flat angles P-C4'-P energy: -70.421 tors. eta vs tors. theta energy: -146.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1645.928830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.928830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.928830 (E_RNA) where: Base-Base interactions energy: -1131.324 where: short stacking energy: -457.525 Base-Backbone interact. energy: -5.044 local terms energy: -509.561376 where: bonds (distance) C4'-P energy: -110.676 bonds (distance) P-C4' energy: -94.338 flat angles C4'-P-C4' energy: -103.954 flat angles P-C4'-P energy: -73.886 tors. eta vs tors. theta energy: -126.707 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: 5, replica: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1596.918945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.918945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.918945 (E_RNA) where: Base-Base interactions energy: -1076.520 where: short stacking energy: -469.433 Base-Backbone interact. energy: -1.766 local terms energy: -518.632988 where: bonds (distance) C4'-P energy: -108.539 bonds (distance) P-C4' energy: -93.809 flat angles C4'-P-C4' energy: -107.133 flat angles P-C4'-P energy: -70.722 tors. eta vs tors. theta energy: -138.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1487.985100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.985100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.985100 (E_RNA) where: Base-Base interactions energy: -1029.453 where: short stacking energy: -430.012 Base-Backbone interact. energy: 2.824 local terms energy: -461.355385 where: bonds (distance) C4'-P energy: -94.364 bonds (distance) P-C4' energy: -93.540 flat angles C4'-P-C4' energy: -107.826 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: -107.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1278.114481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.114481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.114481 (E_RNA) where: Base-Base interactions energy: -840.259 where: short stacking energy: -347.799 Base-Backbone interact. energy: 5.150 local terms energy: -443.005554 where: bonds (distance) C4'-P energy: -101.459 bonds (distance) P-C4' energy: -84.679 flat angles C4'-P-C4' energy: -107.498 flat angles P-C4'-P energy: -62.683 tors. eta vs tors. theta energy: -86.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1152.326284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.326284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.326284 (E_RNA) where: Base-Base interactions energy: -756.241 where: short stacking energy: -311.802 Base-Backbone interact. energy: -1.389 local terms energy: -394.696822 where: bonds (distance) C4'-P energy: -83.315 bonds (distance) P-C4' energy: -97.940 flat angles C4'-P-C4' energy: -93.358 flat angles P-C4'-P energy: -65.672 tors. eta vs tors. theta energy: -54.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -997.479874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.479874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.479874 (E_RNA) where: Base-Base interactions energy: -626.562 where: short stacking energy: -306.029 Base-Backbone interact. energy: 0.063 local terms energy: -370.980360 where: bonds (distance) C4'-P energy: -85.002 bonds (distance) P-C4' energy: -69.652 flat angles C4'-P-C4' energy: -100.139 flat angles P-C4'-P energy: -56.404 tors. eta vs tors. theta energy: -59.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -574.558197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.558197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.558197 (E_RNA) where: Base-Base interactions energy: -291.819 where: short stacking energy: -162.520 Base-Backbone interact. energy: 2.065 local terms energy: -284.804497 where: bonds (distance) C4'-P energy: -87.548 bonds (distance) P-C4' energy: -92.618 flat angles C4'-P-C4' energy: -62.469 flat angles P-C4'-P energy: -46.294 tors. eta vs tors. theta energy: 4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1892.170889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.170889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.170889 (E_RNA) where: Base-Base interactions energy: -1316.837 where: short stacking energy: -575.449 Base-Backbone interact. energy: -3.506 local terms energy: -571.827842 where: bonds (distance) C4'-P energy: -94.567 bonds (distance) P-C4' energy: -91.933 flat angles C4'-P-C4' energy: -126.878 flat angles P-C4'-P energy: -89.783 tors. eta vs tors. theta energy: -168.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1852.772623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.772623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.772623 (E_RNA) where: Base-Base interactions energy: -1265.530 where: short stacking energy: -578.699 Base-Backbone interact. energy: -0.976 local terms energy: -586.266942 where: bonds (distance) C4'-P energy: -96.974 bonds (distance) P-C4' energy: -102.782 flat angles C4'-P-C4' energy: -125.537 flat angles P-C4'-P energy: -86.937 tors. eta vs tors. theta energy: -174.037 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: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1699.202304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.202304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.202304 (E_RNA) where: Base-Base interactions energy: -1167.858 where: short stacking energy: -506.877 Base-Backbone interact. energy: -3.967 local terms energy: -527.377432 where: bonds (distance) C4'-P energy: -96.971 bonds (distance) P-C4' energy: -102.813 flat angles C4'-P-C4' energy: -118.000 flat angles P-C4'-P energy: -63.463 tors. eta vs tors. theta energy: -146.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1692.777550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.777550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.777550 (E_RNA) where: Base-Base interactions energy: -1168.446 where: short stacking energy: -485.376 Base-Backbone interact. energy: -2.947 local terms energy: -521.384837 where: bonds (distance) C4'-P energy: -91.885 bonds (distance) P-C4' energy: -102.462 flat angles C4'-P-C4' energy: -112.873 flat angles P-C4'-P energy: -76.873 tors. eta vs tors. theta energy: -137.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1606.276226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.276226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.276226 (E_RNA) where: Base-Base interactions energy: -1074.574 where: short stacking energy: -450.288 Base-Backbone interact. energy: -2.520 local terms energy: -529.181860 where: bonds (distance) C4'-P energy: -97.964 bonds (distance) P-C4' energy: -111.988 flat angles C4'-P-C4' energy: -114.246 flat angles P-C4'-P energy: -73.842 tors. eta vs tors. theta energy: -131.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1443.714997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.714997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.714997 (E_RNA) where: Base-Base interactions energy: -1006.170 where: short stacking energy: -410.809 Base-Backbone interact. energy: -0.469 local terms energy: -437.076164 where: bonds (distance) C4'-P energy: -75.957 bonds (distance) P-C4' energy: -101.426 flat angles C4'-P-C4' energy: -105.187 flat angles P-C4'-P energy: -61.147 tors. eta vs tors. theta energy: -93.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1304.035919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.035919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.035919 (E_RNA) where: Base-Base interactions energy: -850.718 where: short stacking energy: -379.277 Base-Backbone interact. energy: -0.958 local terms energy: -452.359886 where: bonds (distance) C4'-P energy: -88.929 bonds (distance) P-C4' energy: -111.276 flat angles C4'-P-C4' energy: -99.477 flat angles P-C4'-P energy: -62.181 tors. eta vs tors. theta energy: -90.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1153.562127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.562127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.562127 (E_RNA) where: Base-Base interactions energy: -730.812 where: short stacking energy: -343.550 Base-Backbone interact. energy: -0.350 local terms energy: -422.400495 where: bonds (distance) C4'-P energy: -75.047 bonds (distance) P-C4' energy: -94.524 flat angles C4'-P-C4' energy: -106.292 flat angles P-C4'-P energy: -60.540 tors. eta vs tors. theta energy: -85.997 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: 225 Temperature: 1.300000 Total energy: -932.163654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.163654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.163654 (E_RNA) where: Base-Base interactions energy: -559.043 where: short stacking energy: -254.920 Base-Backbone interact. energy: -0.426 local terms energy: -372.694798 where: bonds (distance) C4'-P energy: -94.259 bonds (distance) P-C4' energy: -90.052 flat angles C4'-P-C4' energy: -93.530 flat angles P-C4'-P energy: -64.123 tors. eta vs tors. theta energy: -30.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -573.014182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.014182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.014182 (E_RNA) where: Base-Base interactions energy: -277.176 where: short stacking energy: -148.750 Base-Backbone interact. energy: 2.929 local terms energy: -298.766985 where: bonds (distance) C4'-P energy: -84.442 bonds (distance) P-C4' energy: -90.898 flat angles C4'-P-C4' energy: -72.206 flat angles P-C4'-P energy: -48.841 tors. eta vs tors. theta energy: -2.380 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: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1907.780291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.780291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.780291 (E_RNA) where: Base-Base interactions energy: -1291.831 where: short stacking energy: -587.741 Base-Backbone interact. energy: -2.435 local terms energy: -613.514781 where: bonds (distance) C4'-P energy: -123.482 bonds (distance) P-C4' energy: -104.114 flat angles C4'-P-C4' energy: -118.620 flat angles P-C4'-P energy: -87.774 tors. eta vs tors. theta energy: -179.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1871.533666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.533666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.533666 (E_RNA) where: Base-Base interactions energy: -1275.571 where: short stacking energy: -568.720 Base-Backbone interact. energy: -3.537 local terms energy: -592.425442 where: bonds (distance) C4'-P energy: -104.768 bonds (distance) P-C4' energy: -112.229 flat angles C4'-P-C4' energy: -129.673 flat angles P-C4'-P energy: -82.913 tors. eta vs tors. theta energy: -162.842 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: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1724.667578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.667578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.667578 (E_RNA) where: Base-Base interactions energy: -1160.688 where: short stacking energy: -498.654 Base-Backbone interact. energy: -4.731 local terms energy: -559.249192 where: bonds (distance) C4'-P energy: -98.380 bonds (distance) P-C4' energy: -111.191 flat angles C4'-P-C4' energy: -126.181 flat angles P-C4'-P energy: -79.834 tors. eta vs tors. theta energy: -143.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1624.997280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.997280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.997280 (E_RNA) where: Base-Base interactions energy: -1108.541 where: short stacking energy: -456.931 Base-Backbone interact. energy: -1.641 local terms energy: -514.814639 where: bonds (distance) C4'-P energy: -98.617 bonds (distance) P-C4' energy: -109.267 flat angles C4'-P-C4' energy: -107.304 flat angles P-C4'-P energy: -66.259 tors. eta vs tors. theta energy: -133.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1593.877291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.877291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.877291 (E_RNA) where: Base-Base interactions energy: -1062.930 where: short stacking energy: -468.579 Base-Backbone interact. energy: -1.952 local terms energy: -528.995285 where: bonds (distance) C4'-P energy: -101.701 bonds (distance) P-C4' energy: -102.100 flat angles C4'-P-C4' energy: -120.191 flat angles P-C4'-P energy: -71.604 tors. eta vs tors. theta energy: -133.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1473.258095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.258095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.258095 (E_RNA) where: Base-Base interactions energy: -1023.526 where: short stacking energy: -410.211 Base-Backbone interact. energy: 2.123 local terms energy: -451.854975 where: bonds (distance) C4'-P energy: -94.257 bonds (distance) P-C4' energy: -97.203 flat angles C4'-P-C4' energy: -97.344 flat angles P-C4'-P energy: -56.988 tors. eta vs tors. theta energy: -106.062 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: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1284.080922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.080922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.080922 (E_RNA) where: Base-Base interactions energy: -867.842 where: short stacking energy: -383.435 Base-Backbone interact. energy: -0.866 local terms energy: -415.373267 where: bonds (distance) C4'-P energy: -86.821 bonds (distance) P-C4' energy: -77.809 flat angles C4'-P-C4' energy: -93.568 flat angles P-C4'-P energy: -66.506 tors. eta vs tors. theta energy: -90.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1224.271010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.271010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.271010 (E_RNA) where: Base-Base interactions energy: -813.421 where: short stacking energy: -350.752 Base-Backbone interact. energy: 5.236 local terms energy: -416.085436 where: bonds (distance) C4'-P energy: -89.384 bonds (distance) P-C4' energy: -92.459 flat angles C4'-P-C4' energy: -90.309 flat angles P-C4'-P energy: -72.711 tors. eta vs tors. theta energy: -71.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -960.459894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.459894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.459894 (E_RNA) where: Base-Base interactions energy: -602.998 where: short stacking energy: -268.498 Base-Backbone interact. energy: -1.419 local terms energy: -356.042724 where: bonds (distance) C4'-P energy: -57.721 bonds (distance) P-C4' energy: -89.888 flat angles C4'-P-C4' energy: -96.079 flat angles P-C4'-P energy: -66.571 tors. eta vs tors. theta energy: -45.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -611.421942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.421942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.421942 (E_RNA) where: Base-Base interactions energy: -306.622 where: short stacking energy: -189.885 Base-Backbone interact. energy: 1.573 local terms energy: -306.372547 where: bonds (distance) C4'-P energy: -82.381 bonds (distance) P-C4' energy: -94.286 flat angles C4'-P-C4' energy: -67.318 flat angles P-C4'-P energy: -47.915 tors. eta vs tors. theta energy: -14.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1900.593476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.593476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.593476 (E_RNA) where: Base-Base interactions energy: -1293.851 where: short stacking energy: -580.194 Base-Backbone interact. energy: -2.828 local terms energy: -603.914097 where: bonds (distance) C4'-P energy: -99.787 bonds (distance) P-C4' energy: -106.921 flat angles C4'-P-C4' energy: -126.385 flat angles P-C4'-P energy: -91.631 tors. eta vs tors. theta energy: -179.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1862.723705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.723705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.723705 (E_RNA) where: Base-Base interactions energy: -1286.732 where: short stacking energy: -561.364 Base-Backbone interact. energy: 1.236 local terms energy: -577.227307 where: bonds (distance) C4'-P energy: -103.309 bonds (distance) P-C4' energy: -111.237 flat angles C4'-P-C4' energy: -122.970 flat angles P-C4'-P energy: -84.976 tors. eta vs tors. theta energy: -154.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1712.845220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.845220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.845220 (E_RNA) where: Base-Base interactions energy: -1174.650 where: short stacking energy: -504.164 Base-Backbone interact. energy: 0.577 local terms energy: -538.771726 where: bonds (distance) C4'-P energy: -96.599 bonds (distance) P-C4' energy: -106.542 flat angles C4'-P-C4' energy: -118.695 flat angles P-C4'-P energy: -72.236 tors. eta vs tors. theta energy: -144.699 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: 10 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1620.678214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.678214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.678214 (E_RNA) where: Base-Base interactions energy: -1089.369 where: short stacking energy: -478.452 Base-Backbone interact. energy: -1.673 local terms energy: -529.636011 where: bonds (distance) C4'-P energy: -104.931 bonds (distance) P-C4' energy: -103.550 flat angles C4'-P-C4' energy: -119.181 flat angles P-C4'-P energy: -74.736 tors. eta vs tors. theta energy: -127.238 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: 3 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1552.032665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.032665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.032665 (E_RNA) where: Base-Base interactions energy: -1067.755 where: short stacking energy: -427.696 Base-Backbone interact. energy: 0.352 local terms energy: -484.629549 where: bonds (distance) C4'-P energy: -81.476 bonds (distance) P-C4' energy: -101.048 flat angles C4'-P-C4' energy: -119.177 flat angles P-C4'-P energy: -66.691 tors. eta vs tors. theta energy: -116.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1500.328215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.328215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.328215 (E_RNA) where: Base-Base interactions energy: -1019.560 where: short stacking energy: -416.246 Base-Backbone interact. energy: -2.457 local terms energy: -478.310920 where: bonds (distance) C4'-P energy: -86.665 bonds (distance) P-C4' energy: -102.609 flat angles C4'-P-C4' energy: -93.441 flat angles P-C4'-P energy: -73.756 tors. eta vs tors. theta energy: -121.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1343.463610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.463610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.463610 (E_RNA) where: Base-Base interactions energy: -872.647 where: short stacking energy: -388.230 Base-Backbone interact. energy: -0.190 local terms energy: -470.626081 where: bonds (distance) C4'-P energy: -92.971 bonds (distance) P-C4' energy: -91.152 flat angles C4'-P-C4' energy: -119.610 flat angles P-C4'-P energy: -73.569 tors. eta vs tors. theta energy: -93.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1213.309257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.309257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.309257 (E_RNA) where: Base-Base interactions energy: -823.669 where: short stacking energy: -357.306 Base-Backbone interact. energy: -0.920 local terms energy: -388.720053 where: bonds (distance) C4'-P energy: -84.537 bonds (distance) P-C4' energy: -87.154 flat angles C4'-P-C4' energy: -79.143 flat angles P-C4'-P energy: -52.449 tors. eta vs tors. theta energy: -85.437 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: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -900.273609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.273609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.273609 (E_RNA) where: Base-Base interactions energy: -535.734 where: short stacking energy: -243.974 Base-Backbone interact. energy: -2.723 local terms energy: -361.815944 where: bonds (distance) C4'-P energy: -92.480 bonds (distance) P-C4' energy: -100.645 flat angles C4'-P-C4' energy: -89.856 flat angles P-C4'-P energy: -43.731 tors. eta vs tors. theta energy: -35.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -602.520674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.520674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.520674 (E_RNA) where: Base-Base interactions energy: -296.956 where: short stacking energy: -171.675 Base-Backbone interact. energy: 1.385 local terms energy: -306.949673 where: bonds (distance) C4'-P energy: -91.456 bonds (distance) P-C4' energy: -97.670 flat angles C4'-P-C4' energy: -77.659 flat angles P-C4'-P energy: -43.678 tors. eta vs tors. theta energy: 3.514 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: 1, replica: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1901.059629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.059629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.059629 (E_RNA) where: Base-Base interactions energy: -1307.347 where: short stacking energy: -566.598 Base-Backbone interact. energy: -2.322 local terms energy: -591.389926 where: bonds (distance) C4'-P energy: -110.531 bonds (distance) P-C4' energy: -107.860 flat angles C4'-P-C4' energy: -123.187 flat angles P-C4'-P energy: -85.192 tors. eta vs tors. theta energy: -164.620 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: 228 Temperature: 0.950000 Total energy: -1865.262873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.262873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.262873 (E_RNA) where: Base-Base interactions energy: -1300.317 where: short stacking energy: -586.871 Base-Backbone interact. energy: 1.388 local terms energy: -566.333955 where: bonds (distance) C4'-P energy: -98.153 bonds (distance) P-C4' energy: -101.209 flat angles C4'-P-C4' energy: -117.291 flat angles P-C4'-P energy: -76.758 tors. eta vs tors. theta energy: -172.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1721.729627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.729627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.729627 (E_RNA) where: Base-Base interactions energy: -1173.389 where: short stacking energy: -525.077 Base-Backbone interact. energy: -1.409 local terms energy: -546.931743 where: bonds (distance) C4'-P energy: -100.222 bonds (distance) P-C4' energy: -100.295 flat angles C4'-P-C4' energy: -114.452 flat angles P-C4'-P energy: -86.177 tors. eta vs tors. theta energy: -145.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1645.954499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.954499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.954499 (E_RNA) where: Base-Base interactions energy: -1121.079 where: short stacking energy: -464.828 Base-Backbone interact. energy: -0.486 local terms energy: -524.388654 where: bonds (distance) C4'-P energy: -93.075 bonds (distance) P-C4' energy: -107.910 flat angles C4'-P-C4' energy: -111.877 flat angles P-C4'-P energy: -74.941 tors. eta vs tors. theta energy: -136.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1564.999561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.999561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.999561 (E_RNA) where: Base-Base interactions energy: -1042.934 where: short stacking energy: -432.008 Base-Backbone interact. energy: -2.503 local terms energy: -519.562988 where: bonds (distance) C4'-P energy: -98.997 bonds (distance) P-C4' energy: -96.765 flat angles C4'-P-C4' energy: -121.820 flat angles P-C4'-P energy: -65.874 tors. eta vs tors. theta energy: -136.105 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: 4 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1507.641348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.641348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.641348 (E_RNA) where: Base-Base interactions energy: -1050.171 where: short stacking energy: -427.615 Base-Backbone interact. energy: -3.048 local terms energy: -454.422189 where: bonds (distance) C4'-P energy: -74.304 bonds (distance) P-C4' energy: -88.772 flat angles C4'-P-C4' energy: -103.201 flat angles P-C4'-P energy: -79.018 tors. eta vs tors. theta energy: -109.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1335.468499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.468499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.468499 (E_RNA) where: Base-Base interactions energy: -902.516 where: short stacking energy: -393.444 Base-Backbone interact. energy: 0.751 local terms energy: -433.703964 where: bonds (distance) C4'-P energy: -73.367 bonds (distance) P-C4' energy: -100.140 flat angles C4'-P-C4' energy: -80.032 flat angles P-C4'-P energy: -74.115 tors. eta vs tors. theta energy: -106.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1199.469216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.469216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.469216 (E_RNA) where: Base-Base interactions energy: -783.690 where: short stacking energy: -352.494 Base-Backbone interact. energy: -0.912 local terms energy: -414.867202 where: bonds (distance) C4'-P energy: -90.167 bonds (distance) P-C4' energy: -87.319 flat angles C4'-P-C4' energy: -99.552 flat angles P-C4'-P energy: -65.584 tors. eta vs tors. theta energy: -72.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -959.499585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.499585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.499585 (E_RNA) where: Base-Base interactions energy: -583.943 where: short stacking energy: -296.986 Base-Backbone interact. energy: -0.607 local terms energy: -374.948799 where: bonds (distance) C4'-P energy: -88.545 bonds (distance) P-C4' energy: -105.503 flat angles C4'-P-C4' energy: -82.583 flat angles P-C4'-P energy: -51.059 tors. eta vs tors. theta energy: -47.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -590.208220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.208220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.208220 (E_RNA) where: Base-Base interactions energy: -292.251 where: short stacking energy: -160.049 Base-Backbone interact. energy: -0.543 local terms energy: -297.413743 where: bonds (distance) C4'-P energy: -78.306 bonds (distance) P-C4' energy: -106.662 flat angles C4'-P-C4' energy: -74.175 flat angles P-C4'-P energy: -39.283 tors. eta vs tors. theta energy: 1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1907.551589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.551589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.551589 (E_RNA) where: Base-Base interactions energy: -1324.025 where: short stacking energy: -570.602 Base-Backbone interact. energy: -1.441 local terms energy: -582.085548 where: bonds (distance) C4'-P energy: -101.016 bonds (distance) P-C4' energy: -105.693 flat angles C4'-P-C4' energy: -112.618 flat angles P-C4'-P energy: -91.671 tors. eta vs tors. theta energy: -171.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1833.005182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.005182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.005182 (E_RNA) where: Base-Base interactions energy: -1255.673 where: short stacking energy: -547.030 Base-Backbone interact. energy: -3.476 local terms energy: -573.856526 where: bonds (distance) C4'-P energy: -104.736 bonds (distance) P-C4' energy: -98.013 flat angles C4'-P-C4' energy: -125.713 flat angles P-C4'-P energy: -83.675 tors. eta vs tors. theta energy: -161.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1747.008301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.008301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.008301 (E_RNA) where: Base-Base interactions energy: -1183.963 where: short stacking energy: -507.043 Base-Backbone interact. energy: -0.732 local terms energy: -562.313131 where: bonds (distance) C4'-P energy: -113.591 bonds (distance) P-C4' energy: -94.188 flat angles C4'-P-C4' energy: -120.165 flat angles P-C4'-P energy: -80.986 tors. eta vs tors. theta energy: -153.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1699.927127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.927127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.927127 (E_RNA) where: Base-Base interactions energy: -1158.955 where: short stacking energy: -499.413 Base-Backbone interact. energy: -1.010 local terms energy: -539.961382 where: bonds (distance) C4'-P energy: -105.757 bonds (distance) P-C4' energy: -99.211 flat angles C4'-P-C4' energy: -108.516 flat angles P-C4'-P energy: -84.388 tors. eta vs tors. theta energy: -142.089 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: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1583.903437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.903437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.903437 (E_RNA) where: Base-Base interactions energy: -1083.389 where: short stacking energy: -459.649 Base-Backbone interact. energy: -3.125 local terms energy: -497.389538 where: bonds (distance) C4'-P energy: -94.464 bonds (distance) P-C4' energy: -88.417 flat angles C4'-P-C4' energy: -110.100 flat angles P-C4'-P energy: -74.506 tors. eta vs tors. theta energy: -129.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1516.145712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.145712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.145712 (E_RNA) where: Base-Base interactions energy: -1034.814 where: short stacking energy: -433.450 Base-Backbone interact. energy: -3.770 local terms energy: -477.562621 where: bonds (distance) C4'-P energy: -92.689 bonds (distance) P-C4' energy: -98.430 flat angles C4'-P-C4' energy: -102.294 flat angles P-C4'-P energy: -79.012 tors. eta vs tors. theta energy: -105.138 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: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1356.311032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.311032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.311032 (E_RNA) where: Base-Base interactions energy: -877.246 where: short stacking energy: -342.452 Base-Backbone interact. energy: -1.775 local terms energy: -477.289936 where: bonds (distance) C4'-P energy: -91.445 bonds (distance) P-C4' energy: -112.976 flat angles C4'-P-C4' energy: -104.589 flat angles P-C4'-P energy: -69.565 tors. eta vs tors. theta energy: -98.715 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: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1183.508354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.508354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.508354 (E_RNA) where: Base-Base interactions energy: -807.907 where: short stacking energy: -339.039 Base-Backbone interact. energy: -3.675 local terms energy: -371.926799 where: bonds (distance) C4'-P energy: -93.015 bonds (distance) P-C4' energy: -68.966 flat angles C4'-P-C4' energy: -85.951 flat angles P-C4'-P energy: -60.864 tors. eta vs tors. theta energy: -63.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -983.326389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.326389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.326389 (E_RNA) where: Base-Base interactions energy: -621.344 where: short stacking energy: -283.004 Base-Backbone interact. energy: 2.575 local terms energy: -364.556491 where: bonds (distance) C4'-P energy: -82.669 bonds (distance) P-C4' energy: -84.596 flat angles C4'-P-C4' energy: -90.726 flat angles P-C4'-P energy: -57.019 tors. eta vs tors. theta energy: -49.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -621.796969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.796969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.796969 (E_RNA) where: Base-Base interactions energy: -311.101 where: short stacking energy: -199.594 Base-Backbone interact. energy: 2.167 local terms energy: -312.862754 where: bonds (distance) C4'-P energy: -80.416 bonds (distance) P-C4' energy: -98.224 flat angles C4'-P-C4' energy: -80.276 flat angles P-C4'-P energy: -50.498 tors. eta vs tors. theta energy: -3.449 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: 7 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1900.582963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.582963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.582963 (E_RNA) where: Base-Base interactions energy: -1296.186 where: short stacking energy: -569.858 Base-Backbone interact. energy: -3.349 local terms energy: -601.047497 where: bonds (distance) C4'-P energy: -116.539 bonds (distance) P-C4' energy: -103.538 flat angles C4'-P-C4' energy: -123.929 flat angles P-C4'-P energy: -89.253 tors. eta vs tors. theta energy: -167.788 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: 230 Temperature: 0.950000 Total energy: -1851.578184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.578184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.578184 (E_RNA) where: Base-Base interactions energy: -1261.672 where: short stacking energy: -555.391 Base-Backbone interact. energy: -4.017 local terms energy: -585.889449 where: bonds (distance) C4'-P energy: -105.983 bonds (distance) P-C4' energy: -99.779 flat angles C4'-P-C4' energy: -119.719 flat angles P-C4'-P energy: -84.670 tors. eta vs tors. theta energy: -175.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1723.995601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.995601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.995601 (E_RNA) where: Base-Base interactions energy: -1191.894 where: short stacking energy: -492.398 Base-Backbone interact. energy: -0.608 local terms energy: -531.493204 where: bonds (distance) C4'-P energy: -105.591 bonds (distance) P-C4' energy: -101.620 flat angles C4'-P-C4' energy: -106.265 flat angles P-C4'-P energy: -77.485 tors. eta vs tors. theta energy: -140.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1648.966906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.966906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.966906 (E_RNA) where: Base-Base interactions energy: -1155.900 where: short stacking energy: -517.803 Base-Backbone interact. energy: -0.892 local terms energy: -492.175149 where: bonds (distance) C4'-P energy: -93.547 bonds (distance) P-C4' energy: -91.055 flat angles C4'-P-C4' energy: -105.472 flat angles P-C4'-P energy: -58.806 tors. eta vs tors. theta energy: -143.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1538.390925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.390925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.390925 (E_RNA) where: Base-Base interactions energy: -1043.501 where: short stacking energy: -447.159 Base-Backbone interact. energy: -1.228 local terms energy: -493.662032 where: bonds (distance) C4'-P energy: -91.578 bonds (distance) P-C4' energy: -99.173 flat angles C4'-P-C4' energy: -101.403 flat angles P-C4'-P energy: -77.000 tors. eta vs tors. theta energy: -124.509 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: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1428.034616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.034616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.034616 (E_RNA) where: Base-Base interactions energy: -972.349 where: short stacking energy: -415.503 Base-Backbone interact. energy: 2.254 local terms energy: -457.940191 where: bonds (distance) C4'-P energy: -83.201 bonds (distance) P-C4' energy: -103.577 flat angles C4'-P-C4' energy: -109.411 flat angles P-C4'-P energy: -60.019 tors. eta vs tors. theta energy: -101.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1309.825141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.825141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.825141 (E_RNA) where: Base-Base interactions energy: -880.965 where: short stacking energy: -390.690 Base-Backbone interact. energy: -1.659 local terms energy: -427.200716 where: bonds (distance) C4'-P energy: -83.142 bonds (distance) P-C4' energy: -78.688 flat angles C4'-P-C4' energy: -107.403 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -91.875 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: 6 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1244.118337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.118337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.118337 (E_RNA) where: Base-Base interactions energy: -813.055 where: short stacking energy: -354.338 Base-Backbone interact. energy: -3.170 local terms energy: -427.892757 where: bonds (distance) C4'-P energy: -89.086 bonds (distance) P-C4' energy: -94.936 flat angles C4'-P-C4' energy: -95.145 flat angles P-C4'-P energy: -65.499 tors. eta vs tors. theta energy: -83.227 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: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1003.625203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.625203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.625203 (E_RNA) where: Base-Base interactions energy: -631.652 where: short stacking energy: -291.613 Base-Backbone interact. energy: -2.204 local terms energy: -369.768604 where: bonds (distance) C4'-P energy: -97.399 bonds (distance) P-C4' energy: -78.081 flat angles C4'-P-C4' energy: -93.805 flat angles P-C4'-P energy: -50.179 tors. eta vs tors. theta energy: -50.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -524.527930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.527930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.527930 (E_RNA) where: Base-Base interactions energy: -242.202 where: short stacking energy: -147.837 Base-Backbone interact. energy: -1.922 local terms energy: -280.404414 where: bonds (distance) C4'-P energy: -95.020 bonds (distance) P-C4' energy: -101.926 flat angles C4'-P-C4' energy: -59.388 flat angles P-C4'-P energy: -47.810 tors. eta vs tors. theta energy: 23.739 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: 7 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1921.813545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.813545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.813545 (E_RNA) where: Base-Base interactions energy: -1331.801 where: short stacking energy: -578.837 Base-Backbone interact. energy: -0.927 local terms energy: -589.086174 where: bonds (distance) C4'-P energy: -103.998 bonds (distance) P-C4' energy: -116.216 flat angles C4'-P-C4' energy: -121.780 flat angles P-C4'-P energy: -75.762 tors. eta vs tors. theta energy: -171.330 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: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1826.902110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.902110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.902110 (E_RNA) where: Base-Base interactions energy: -1231.866 where: short stacking energy: -546.535 Base-Backbone interact. energy: -2.042 local terms energy: -592.994196 where: bonds (distance) C4'-P energy: -101.329 bonds (distance) P-C4' energy: -102.645 flat angles C4'-P-C4' energy: -119.421 flat angles P-C4'-P energy: -97.360 tors. eta vs tors. theta energy: -172.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1728.748825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.748825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.748825 (E_RNA) where: Base-Base interactions energy: -1184.327 where: short stacking energy: -494.567 Base-Backbone interact. energy: 3.471 local terms energy: -547.893030 where: bonds (distance) C4'-P energy: -108.181 bonds (distance) P-C4' energy: -107.503 flat angles C4'-P-C4' energy: -111.599 flat angles P-C4'-P energy: -70.198 tors. eta vs tors. theta energy: -150.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1651.765119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.765119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.765119 (E_RNA) where: Base-Base interactions energy: -1123.315 where: short stacking energy: -509.163 Base-Backbone interact. energy: 0.834 local terms energy: -529.284629 where: bonds (distance) C4'-P energy: -88.401 bonds (distance) P-C4' energy: -98.476 flat angles C4'-P-C4' energy: -111.394 flat angles P-C4'-P energy: -88.707 tors. eta vs tors. theta energy: -142.307 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: 3 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1560.207157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.207157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.207157 (E_RNA) where: Base-Base interactions energy: -1064.614 where: short stacking energy: -427.719 Base-Backbone interact. energy: 5.557 local terms energy: -501.150423 where: bonds (distance) C4'-P energy: -109.687 bonds (distance) P-C4' energy: -90.621 flat angles C4'-P-C4' energy: -99.500 flat angles P-C4'-P energy: -80.117 tors. eta vs tors. theta energy: -121.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1494.728793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.728793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.728793 (E_RNA) where: Base-Base interactions energy: -1026.327 where: short stacking energy: -452.125 Base-Backbone interact. energy: -1.962 local terms energy: -466.439409 where: bonds (distance) C4'-P energy: -90.208 bonds (distance) P-C4' energy: -98.991 flat angles C4'-P-C4' energy: -102.974 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: -113.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -1324.489844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.489844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.489844 (E_RNA) where: Base-Base interactions energy: -881.591 where: short stacking energy: -401.619 Base-Backbone interact. energy: -2.068 local terms energy: -440.831456 where: bonds (distance) C4'-P energy: -82.202 bonds (distance) P-C4' energy: -90.663 flat angles C4'-P-C4' energy: -106.765 flat angles P-C4'-P energy: -60.871 tors. eta vs tors. theta energy: -100.332 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: 8, replica: 6 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1250.234100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.234100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.234100 (E_RNA) where: Base-Base interactions energy: -825.651 where: short stacking energy: -347.395 Base-Backbone interact. energy: -0.107 local terms energy: -424.476137 where: bonds (distance) C4'-P energy: -90.187 bonds (distance) P-C4' energy: -95.391 flat angles C4'-P-C4' energy: -88.269 flat angles P-C4'-P energy: -74.521 tors. eta vs tors. theta energy: -76.108 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: 231 Temperature: 1.300000 Total energy: -963.956296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.956296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.956296 (E_RNA) where: Base-Base interactions energy: -573.552 where: short stacking energy: -275.525 Base-Backbone interact. energy: 0.412 local terms energy: -390.815954 where: bonds (distance) C4'-P energy: -105.642 bonds (distance) P-C4' energy: -97.877 flat angles C4'-P-C4' energy: -79.002 flat angles P-C4'-P energy: -59.910 tors. eta vs tors. theta energy: -48.385 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: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -541.376403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.376403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.376403 (E_RNA) where: Base-Base interactions energy: -268.095 where: short stacking energy: -161.017 Base-Backbone interact. energy: 2.671 local terms energy: -275.952063 where: bonds (distance) C4'-P energy: -78.885 bonds (distance) P-C4' energy: -91.820 flat angles C4'-P-C4' energy: -76.517 flat angles P-C4'-P energy: -43.864 tors. eta vs tors. theta energy: 15.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1936.016067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.016067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.016067 (E_RNA) where: Base-Base interactions energy: -1323.656 where: short stacking energy: -575.629 Base-Backbone interact. energy: -2.745 local terms energy: -609.614925 where: bonds (distance) C4'-P energy: -107.749 bonds (distance) P-C4' energy: -119.423 flat angles C4'-P-C4' energy: -125.598 flat angles P-C4'-P energy: -87.469 tors. eta vs tors. theta energy: -169.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1849.937969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.937969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.937969 (E_RNA) where: Base-Base interactions energy: -1280.173 where: short stacking energy: -560.054 Base-Backbone interact. energy: -0.736 local terms energy: -569.028904 where: bonds (distance) C4'-P energy: -101.498 bonds (distance) P-C4' energy: -106.064 flat angles C4'-P-C4' energy: -115.432 flat angles P-C4'-P energy: -77.275 tors. eta vs tors. theta energy: -168.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1726.209125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.209125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.209125 (E_RNA) where: Base-Base interactions energy: -1162.470 where: short stacking energy: -519.059 Base-Backbone interact. energy: -0.071 local terms energy: -563.667966 where: bonds (distance) C4'-P energy: -99.863 bonds (distance) P-C4' energy: -111.823 flat angles C4'-P-C4' energy: -118.828 flat angles P-C4'-P energy: -82.112 tors. eta vs tors. theta energy: -151.042 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: 10 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1665.630254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.630254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.630254 (E_RNA) where: Base-Base interactions energy: -1103.561 where: short stacking energy: -481.475 Base-Backbone interact. energy: -0.813 local terms energy: -561.256204 where: bonds (distance) C4'-P energy: -106.074 bonds (distance) P-C4' energy: -111.436 flat angles C4'-P-C4' energy: -123.528 flat angles P-C4'-P energy: -79.985 tors. eta vs tors. theta energy: -140.233 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: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1522.907676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.907676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.907676 (E_RNA) where: Base-Base interactions energy: -1058.463 where: short stacking energy: -443.823 Base-Backbone interact. energy: 0.800 local terms energy: -465.244812 where: bonds (distance) C4'-P energy: -88.261 bonds (distance) P-C4' energy: -100.855 flat angles C4'-P-C4' energy: -100.066 flat angles P-C4'-P energy: -61.631 tors. eta vs tors. theta energy: -114.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1514.950738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.950738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.950738 (E_RNA) where: Base-Base interactions energy: -1010.847 where: short stacking energy: -450.425 Base-Backbone interact. energy: -1.095 local terms energy: -503.008749 where: bonds (distance) C4'-P energy: -85.082 bonds (distance) P-C4' energy: -103.586 flat angles C4'-P-C4' energy: -108.116 flat angles P-C4'-P energy: -83.309 tors. eta vs tors. theta energy: -122.916 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: 232 Temperature: 1.200000 Total energy: -1299.011768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.011768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.011768 (E_RNA) where: Base-Base interactions energy: -891.525 where: short stacking energy: -385.993 Base-Backbone interact. energy: 0.027 local terms energy: -407.514732 where: bonds (distance) C4'-P energy: -100.542 bonds (distance) P-C4' energy: -84.717 flat angles C4'-P-C4' energy: -82.201 flat angles P-C4'-P energy: -63.259 tors. eta vs tors. theta energy: -76.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1247.362326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.362326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.362326 (E_RNA) where: Base-Base interactions energy: -841.614 where: short stacking energy: -371.828 Base-Backbone interact. energy: -0.713 local terms energy: -405.035340 where: bonds (distance) C4'-P energy: -71.805 bonds (distance) P-C4' energy: -84.791 flat angles C4'-P-C4' energy: -98.106 flat angles P-C4'-P energy: -61.514 tors. eta vs tors. theta energy: -88.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -914.017625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.017625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.017625 (E_RNA) where: Base-Base interactions energy: -575.797 where: short stacking energy: -273.303 Base-Backbone interact. energy: -1.827 local terms energy: -336.393456 where: bonds (distance) C4'-P energy: -76.518 bonds (distance) P-C4' energy: -79.299 flat angles C4'-P-C4' energy: -86.504 flat angles P-C4'-P energy: -47.547 tors. eta vs tors. theta energy: -46.526 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: 10, replica: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -546.859400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.859400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.859400 (E_RNA) where: Base-Base interactions energy: -264.985 where: short stacking energy: -159.822 Base-Backbone interact. energy: -0.493 local terms energy: -281.381041 where: bonds (distance) C4'-P energy: -64.044 bonds (distance) P-C4' energy: -86.322 flat angles C4'-P-C4' energy: -73.799 flat angles P-C4'-P energy: -55.040 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1911.233081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.233081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.233081 (E_RNA) where: Base-Base interactions energy: -1319.804 where: short stacking energy: -567.459 Base-Backbone interact. energy: -3.519 local terms energy: -587.909824 where: bonds (distance) C4'-P energy: -106.868 bonds (distance) P-C4' energy: -107.737 flat angles C4'-P-C4' energy: -119.500 flat angles P-C4'-P energy: -86.606 tors. eta vs tors. theta energy: -167.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1821.822456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.822456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.822456 (E_RNA) where: Base-Base interactions energy: -1246.603 where: short stacking energy: -558.702 Base-Backbone interact. energy: 0.712 local terms energy: -575.931795 where: bonds (distance) C4'-P energy: -105.252 bonds (distance) P-C4' energy: -111.038 flat angles C4'-P-C4' energy: -111.955 flat angles P-C4'-P energy: -90.574 tors. eta vs tors. theta energy: -157.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1730.000128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.000128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.000128 (E_RNA) where: Base-Base interactions energy: -1169.257 where: short stacking energy: -527.656 Base-Backbone interact. energy: -0.925 local terms energy: -559.817523 where: bonds (distance) C4'-P energy: -95.508 bonds (distance) P-C4' energy: -112.622 flat angles C4'-P-C4' energy: -127.048 flat angles P-C4'-P energy: -78.670 tors. eta vs tors. theta energy: -145.971 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: 10 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1692.040403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.040403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.040403 (E_RNA) where: Base-Base interactions energy: -1165.295 where: short stacking energy: -518.212 Base-Backbone interact. energy: -2.730 local terms energy: -524.015714 where: bonds (distance) C4'-P energy: -92.634 bonds (distance) P-C4' energy: -105.675 flat angles C4'-P-C4' energy: -112.075 flat angles P-C4'-P energy: -62.042 tors. eta vs tors. theta energy: -151.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1541.435403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.435403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.435403 (E_RNA) where: Base-Base interactions energy: -1046.379 where: short stacking energy: -416.505 Base-Backbone interact. energy: -2.800 local terms energy: -492.256575 where: bonds (distance) C4'-P energy: -99.922 bonds (distance) P-C4' energy: -109.277 flat angles C4'-P-C4' energy: -104.843 flat angles P-C4'-P energy: -63.935 tors. eta vs tors. theta energy: -114.280 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: 3 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1474.043290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.043290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.043290 (E_RNA) where: Base-Base interactions energy: -1015.570 where: short stacking energy: -422.377 Base-Backbone interact. energy: -1.819 local terms energy: -456.654420 where: bonds (distance) C4'-P energy: -94.807 bonds (distance) P-C4' energy: -85.911 flat angles C4'-P-C4' energy: -101.202 flat angles P-C4'-P energy: -62.955 tors. eta vs tors. theta energy: -111.779 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: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1307.582958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.582958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.582958 (E_RNA) where: Base-Base interactions energy: -850.111 where: short stacking energy: -340.362 Base-Backbone interact. energy: -2.159 local terms energy: -455.312586 where: bonds (distance) C4'-P energy: -93.683 bonds (distance) P-C4' energy: -94.397 flat angles C4'-P-C4' energy: -106.492 flat angles P-C4'-P energy: -67.056 tors. eta vs tors. theta energy: -93.684 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: 233 Temperature: 1.250000 Total energy: -1235.427799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.427799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.427799 (E_RNA) where: Base-Base interactions energy: -852.458 where: short stacking energy: -372.441 Base-Backbone interact. energy: -2.380 local terms energy: -380.590510 where: bonds (distance) C4'-P energy: -83.402 bonds (distance) P-C4' energy: -81.026 flat angles C4'-P-C4' energy: -77.126 flat angles P-C4'-P energy: -55.813 tors. eta vs tors. theta energy: -83.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -933.812773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.812773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.812773 (E_RNA) where: Base-Base interactions energy: -598.584 where: short stacking energy: -268.742 Base-Backbone interact. energy: 5.921 local terms energy: -341.149849 where: bonds (distance) C4'-P energy: -72.981 bonds (distance) P-C4' energy: -94.338 flat angles C4'-P-C4' energy: -82.348 flat angles P-C4'-P energy: -47.395 tors. eta vs tors. theta energy: -44.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -479.268995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.268995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.268995 (E_RNA) where: Base-Base interactions energy: -209.636 where: short stacking energy: -128.725 Base-Backbone interact. energy: 1.034 local terms energy: -270.666945 where: bonds (distance) C4'-P energy: -84.356 bonds (distance) P-C4' energy: -91.023 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -29.520 tors. eta vs tors. theta energy: 13.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1927.553317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.553317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.553317 (E_RNA) where: Base-Base interactions energy: -1303.543 where: short stacking energy: -578.971 Base-Backbone interact. energy: -5.239 local terms energy: -618.771356 where: bonds (distance) C4'-P energy: -115.587 bonds (distance) P-C4' energy: -112.843 flat angles C4'-P-C4' energy: -124.143 flat angles P-C4'-P energy: -91.806 tors. eta vs tors. theta energy: -174.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1851.885315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.885315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.885315 (E_RNA) where: Base-Base interactions energy: -1245.799 where: short stacking energy: -547.217 Base-Backbone interact. energy: -1.029 local terms energy: -605.057703 where: bonds (distance) C4'-P energy: -116.595 bonds (distance) P-C4' energy: -96.532 flat angles C4'-P-C4' energy: -128.641 flat angles P-C4'-P energy: -91.267 tors. eta vs tors. theta energy: -172.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1690.548097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.548097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.548097 (E_RNA) where: Base-Base interactions energy: -1160.912 where: short stacking energy: -520.990 Base-Backbone interact. energy: -1.199 local terms energy: -528.436259 where: bonds (distance) C4'-P energy: -97.819 bonds (distance) P-C4' energy: -88.089 flat angles C4'-P-C4' energy: -112.386 flat angles P-C4'-P energy: -81.764 tors. eta vs tors. theta energy: -148.377 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: 10 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1636.470995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.470995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.470995 (E_RNA) where: Base-Base interactions energy: -1125.289 where: short stacking energy: -483.256 Base-Backbone interact. energy: 0.879 local terms energy: -512.060569 where: bonds (distance) C4'-P energy: -84.182 bonds (distance) P-C4' energy: -108.732 flat angles C4'-P-C4' energy: -114.876 flat angles P-C4'-P energy: -65.532 tors. eta vs tors. theta energy: -138.738 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: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1560.780728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.780728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.780728 (E_RNA) where: Base-Base interactions energy: -1063.742 where: short stacking energy: -448.672 Base-Backbone interact. energy: -1.202 local terms energy: -495.836883 where: bonds (distance) C4'-P energy: -99.542 bonds (distance) P-C4' energy: -95.799 flat angles C4'-P-C4' energy: -108.690 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -122.062 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: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1502.937931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.937931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.937931 (E_RNA) where: Base-Base interactions energy: -1026.249 where: short stacking energy: -434.555 Base-Backbone interact. energy: -0.389 local terms energy: -476.299681 where: bonds (distance) C4'-P energy: -89.458 bonds (distance) P-C4' energy: -94.961 flat angles C4'-P-C4' energy: -103.106 flat angles P-C4'-P energy: -64.285 tors. eta vs tors. theta energy: -124.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1356.438239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.438239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.438239 (E_RNA) where: Base-Base interactions energy: -905.854 where: short stacking energy: -401.332 Base-Backbone interact. energy: 0.025 local terms energy: -450.608896 where: bonds (distance) C4'-P energy: -90.746 bonds (distance) P-C4' energy: -91.742 flat angles C4'-P-C4' energy: -102.297 flat angles P-C4'-P energy: -69.773 tors. eta vs tors. theta energy: -96.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1231.688288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.688288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.688288 (E_RNA) where: Base-Base interactions energy: -824.271 where: short stacking energy: -347.555 Base-Backbone interact. energy: -0.878 local terms energy: -406.538508 where: bonds (distance) C4'-P energy: -81.717 bonds (distance) P-C4' energy: -90.954 flat angles C4'-P-C4' energy: -98.890 flat angles P-C4'-P energy: -62.677 tors. eta vs tors. theta energy: -72.300 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: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -939.610105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.610105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.610105 (E_RNA) where: Base-Base interactions energy: -551.473 where: short stacking energy: -275.807 Base-Backbone interact. energy: -0.528 local terms energy: -387.609415 where: bonds (distance) C4'-P energy: -97.093 bonds (distance) P-C4' energy: -87.632 flat angles C4'-P-C4' energy: -86.386 flat angles P-C4'-P energy: -57.387 tors. eta vs tors. theta energy: -59.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -505.047464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.047464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.047464 (E_RNA) where: Base-Base interactions energy: -214.957 where: short stacking energy: -139.052 Base-Backbone interact. energy: -1.739 local terms energy: -288.351595 where: bonds (distance) C4'-P energy: -83.992 bonds (distance) P-C4' energy: -95.747 flat angles C4'-P-C4' energy: -72.378 flat angles P-C4'-P energy: -48.126 tors. eta vs tors. theta energy: 11.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1899.898014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.898014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.898014 (E_RNA) where: Base-Base interactions energy: -1308.127 where: short stacking energy: -572.785 Base-Backbone interact. energy: -2.262 local terms energy: -589.509400 where: bonds (distance) C4'-P energy: -99.119 bonds (distance) P-C4' energy: -106.782 flat angles C4'-P-C4' energy: -130.777 flat angles P-C4'-P energy: -78.551 tors. eta vs tors. theta energy: -174.280 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: 2, replica: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1873.261513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.261513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.261513 (E_RNA) where: Base-Base interactions energy: -1285.172 where: short stacking energy: -555.378 Base-Backbone interact. energy: -4.365 local terms energy: -583.724668 where: bonds (distance) C4'-P energy: -109.573 bonds (distance) P-C4' energy: -103.721 flat angles C4'-P-C4' energy: -124.676 flat angles P-C4'-P energy: -76.124 tors. eta vs tors. theta energy: -169.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1702.391686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.391686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.391686 (E_RNA) where: Base-Base interactions energy: -1153.241 where: short stacking energy: -500.633 Base-Backbone interact. energy: -1.395 local terms energy: -547.756129 where: bonds (distance) C4'-P energy: -99.101 bonds (distance) P-C4' energy: -109.737 flat angles C4'-P-C4' energy: -118.714 flat angles P-C4'-P energy: -77.100 tors. eta vs tors. theta energy: -143.104 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: 10 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1651.320641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.320641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.320641 (E_RNA) where: Base-Base interactions energy: -1128.363 where: short stacking energy: -452.355 Base-Backbone interact. energy: 1.770 local terms energy: -524.727362 where: bonds (distance) C4'-P energy: -118.549 bonds (distance) P-C4' energy: -98.152 flat angles C4'-P-C4' energy: -110.883 flat angles P-C4'-P energy: -74.275 tors. eta vs tors. theta energy: -122.869 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: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1563.294116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.294116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.294116 (E_RNA) where: Base-Base interactions energy: -1075.566 where: short stacking energy: -442.061 Base-Backbone interact. energy: -1.624 local terms energy: -486.104141 where: bonds (distance) C4'-P energy: -99.452 bonds (distance) P-C4' energy: -94.449 flat angles C4'-P-C4' energy: -109.966 flat angles P-C4'-P energy: -63.430 tors. eta vs tors. theta energy: -118.807 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: 6, replica: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1548.064445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.064445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.064445 (E_RNA) where: Base-Base interactions energy: -1057.857 where: short stacking energy: -438.232 Base-Backbone interact. energy: -5.225 local terms energy: -484.983059 where: bonds (distance) C4'-P energy: -79.976 bonds (distance) P-C4' energy: -104.880 flat angles C4'-P-C4' energy: -111.797 flat angles P-C4'-P energy: -75.147 tors. eta vs tors. theta energy: -113.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1340.433689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.433689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.433689 (E_RNA) where: Base-Base interactions energy: -901.785 where: short stacking energy: -397.025 Base-Backbone interact. energy: -1.447 local terms energy: -437.201677 where: bonds (distance) C4'-P energy: -91.358 bonds (distance) P-C4' energy: -90.179 flat angles C4'-P-C4' energy: -102.515 flat angles P-C4'-P energy: -66.397 tors. eta vs tors. theta energy: -86.753 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: 6 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1192.805222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.805222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.805222 (E_RNA) where: Base-Base interactions energy: -768.499 where: short stacking energy: -331.940 Base-Backbone interact. energy: -3.867 local terms energy: -420.438820 where: bonds (distance) C4'-P energy: -97.343 bonds (distance) P-C4' energy: -87.997 flat angles C4'-P-C4' energy: -92.772 flat angles P-C4'-P energy: -72.442 tors. eta vs tors. theta energy: -69.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -912.691925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.691925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.691925 (E_RNA) where: Base-Base interactions energy: -589.730 where: short stacking energy: -281.211 Base-Backbone interact. energy: 5.578 local terms energy: -328.539417 where: bonds (distance) C4'-P energy: -87.727 bonds (distance) P-C4' energy: -69.997 flat angles C4'-P-C4' energy: -82.261 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -40.667 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: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -473.714282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.714282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.714282 (E_RNA) where: Base-Base interactions energy: -205.701 where: short stacking energy: -134.834 Base-Backbone interact. energy: 2.174 local terms energy: -270.188101 where: bonds (distance) C4'-P energy: -73.993 bonds (distance) P-C4' energy: -91.375 flat angles C4'-P-C4' energy: -69.639 flat angles P-C4'-P energy: -49.570 tors. eta vs tors. theta energy: 14.389 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: 5 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1904.097670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.097670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.097670 (E_RNA) where: Base-Base interactions energy: -1328.032 where: short stacking energy: -576.822 Base-Backbone interact. energy: -0.444 local terms energy: -575.621884 where: bonds (distance) C4'-P energy: -111.420 bonds (distance) P-C4' energy: -97.256 flat angles C4'-P-C4' energy: -120.429 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -168.522 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: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1882.562288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.562288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.562288 (E_RNA) where: Base-Base interactions energy: -1313.130 where: short stacking energy: -545.438 Base-Backbone interact. energy: -1.117 local terms energy: -568.315347 where: bonds (distance) C4'-P energy: -91.063 bonds (distance) P-C4' energy: -102.535 flat angles C4'-P-C4' energy: -127.938 flat angles P-C4'-P energy: -78.258 tors. eta vs tors. theta energy: -168.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1710.104173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.104173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.104173 (E_RNA) where: Base-Base interactions energy: -1182.286 where: short stacking energy: -542.204 Base-Backbone interact. energy: -1.537 local terms energy: -526.280621 where: bonds (distance) C4'-P energy: -96.184 bonds (distance) P-C4' energy: -87.473 flat angles C4'-P-C4' energy: -118.015 flat angles P-C4'-P energy: -75.138 tors. eta vs tors. theta energy: -149.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1657.143950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.143950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.143950 (E_RNA) where: Base-Base interactions energy: -1115.978 where: short stacking energy: -476.854 Base-Backbone interact. energy: -0.300 local terms energy: -540.865606 where: bonds (distance) C4'-P energy: -102.371 bonds (distance) P-C4' energy: -112.798 flat angles C4'-P-C4' energy: -121.288 flat angles P-C4'-P energy: -68.622 tors. eta vs tors. theta energy: -135.787 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: 5, replica: 3 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1605.746612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.746612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.746612 (E_RNA) where: Base-Base interactions energy: -1085.358 where: short stacking energy: -465.430 Base-Backbone interact. energy: -3.886 local terms energy: -516.501918 where: bonds (distance) C4'-P energy: -105.029 bonds (distance) P-C4' energy: -94.038 flat angles C4'-P-C4' energy: -114.899 flat angles P-C4'-P energy: -71.557 tors. eta vs tors. theta energy: -130.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1500.260393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.260393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.260393 (E_RNA) where: Base-Base interactions energy: -1047.252 where: short stacking energy: -445.873 Base-Backbone interact. energy: -1.139 local terms energy: -451.869916 where: bonds (distance) C4'-P energy: -81.472 bonds (distance) P-C4' energy: -95.996 flat angles C4'-P-C4' energy: -87.270 flat angles P-C4'-P energy: -64.926 tors. eta vs tors. theta energy: -122.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1297.746639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.746639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.746639 (E_RNA) where: Base-Base interactions energy: -881.124 where: short stacking energy: -373.790 Base-Backbone interact. energy: 0.334 local terms energy: -416.957251 where: bonds (distance) C4'-P energy: -90.905 bonds (distance) P-C4' energy: -86.517 flat angles C4'-P-C4' energy: -95.615 flat angles P-C4'-P energy: -41.039 tors. eta vs tors. theta energy: -102.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1213.454837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.454837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.454837 (E_RNA) where: Base-Base interactions energy: -804.689 where: short stacking energy: -341.939 Base-Backbone interact. energy: 2.468 local terms energy: -411.233190 where: bonds (distance) C4'-P energy: -88.728 bonds (distance) P-C4' energy: -100.269 flat angles C4'-P-C4' energy: -87.682 flat angles P-C4'-P energy: -61.037 tors. eta vs tors. theta energy: -73.517 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: 9, replica: 9 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -843.733962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.733962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.733962 (E_RNA) where: Base-Base interactions energy: -490.519 where: short stacking energy: -231.818 Base-Backbone interact. energy: 0.317 local terms energy: -353.532174 where: bonds (distance) C4'-P energy: -87.969 bonds (distance) P-C4' energy: -102.486 flat angles C4'-P-C4' energy: -75.829 flat angles P-C4'-P energy: -50.800 tors. eta vs tors. theta energy: -36.448 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: 8 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -498.642388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.642388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.642388 (E_RNA) where: Base-Base interactions energy: -219.404 where: short stacking energy: -144.193 Base-Backbone interact. energy: 10.074 local terms energy: -289.312477 where: bonds (distance) C4'-P energy: -85.333 bonds (distance) P-C4' energy: -96.866 flat angles C4'-P-C4' energy: -71.693 flat angles P-C4'-P energy: -46.739 tors. eta vs tors. theta energy: 11.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1915.214944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.214944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.214944 (E_RNA) where: Base-Base interactions energy: -1293.993 where: short stacking energy: -554.934 Base-Backbone interact. energy: -3.471 local terms energy: -617.751276 where: bonds (distance) C4'-P energy: -112.173 bonds (distance) P-C4' energy: -113.266 flat angles C4'-P-C4' energy: -126.821 flat angles P-C4'-P energy: -83.950 tors. eta vs tors. theta energy: -181.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1897.395235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.395235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.395235 (E_RNA) where: Base-Base interactions energy: -1283.566 where: short stacking energy: -549.933 Base-Backbone interact. energy: -3.362 local terms energy: -610.467226 where: bonds (distance) C4'-P energy: -113.507 bonds (distance) P-C4' energy: -119.658 flat angles C4'-P-C4' energy: -119.551 flat angles P-C4'-P energy: -84.714 tors. eta vs tors. theta energy: -173.037 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: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1693.139834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.139834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.139834 (E_RNA) where: Base-Base interactions energy: -1166.375 where: short stacking energy: -526.203 Base-Backbone interact. energy: -0.965 local terms energy: -525.800210 where: bonds (distance) C4'-P energy: -101.759 bonds (distance) P-C4' energy: -96.808 flat angles C4'-P-C4' energy: -111.616 flat angles P-C4'-P energy: -78.018 tors. eta vs tors. theta energy: -137.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1679.356316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.356316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.356316 (E_RNA) where: Base-Base interactions energy: -1177.673 where: short stacking energy: -501.949 Base-Backbone interact. energy: -1.118 local terms energy: -500.565080 where: bonds (distance) C4'-P energy: -84.744 bonds (distance) P-C4' energy: -92.306 flat angles C4'-P-C4' energy: -112.110 flat angles P-C4'-P energy: -73.987 tors. eta vs tors. theta energy: -137.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1620.063882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.063882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.063882 (E_RNA) where: Base-Base interactions energy: -1133.643 where: short stacking energy: -466.724 Base-Backbone interact. energy: -0.534 local terms energy: -485.886629 where: bonds (distance) C4'-P energy: -90.668 bonds (distance) P-C4' energy: -80.886 flat angles C4'-P-C4' energy: -112.883 flat angles P-C4'-P energy: -72.772 tors. eta vs tors. theta energy: -128.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1556.932983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.932983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.932983 (E_RNA) where: Base-Base interactions energy: -1067.661 where: short stacking energy: -422.851 Base-Backbone interact. energy: -1.955 local terms energy: -487.317067 where: bonds (distance) C4'-P energy: -86.425 bonds (distance) P-C4' energy: -103.066 flat angles C4'-P-C4' energy: -120.466 flat angles P-C4'-P energy: -61.787 tors. eta vs tors. theta energy: -115.573 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: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1356.364994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.364994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.364994 (E_RNA) where: Base-Base interactions energy: -854.030 where: short stacking energy: -383.267 Base-Backbone interact. energy: -1.712 local terms energy: -500.622652 where: bonds (distance) C4'-P energy: -94.580 bonds (distance) P-C4' energy: -104.083 flat angles C4'-P-C4' energy: -115.602 flat angles P-C4'-P energy: -73.133 tors. eta vs tors. theta energy: -113.223 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: 6 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1234.140269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.140269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.140269 (E_RNA) where: Base-Base interactions energy: -838.921 where: short stacking energy: -376.197 Base-Backbone interact. energy: -1.542 local terms energy: -393.677183 where: bonds (distance) C4'-P energy: -73.508 bonds (distance) P-C4' energy: -101.833 flat angles C4'-P-C4' energy: -97.429 flat angles P-C4'-P energy: -45.220 tors. eta vs tors. theta energy: -75.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -972.626572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.626572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.626572 (E_RNA) where: Base-Base interactions energy: -598.847 where: short stacking energy: -276.688 Base-Backbone interact. energy: -1.022 local terms energy: -372.757295 where: bonds (distance) C4'-P energy: -81.908 bonds (distance) P-C4' energy: -98.929 flat angles C4'-P-C4' energy: -80.494 flat angles P-C4'-P energy: -59.123 tors. eta vs tors. theta energy: -52.303 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: 8 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -516.685677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.685677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.685677 (E_RNA) where: Base-Base interactions energy: -228.841 where: short stacking energy: -130.083 Base-Backbone interact. energy: -0.086 local terms energy: -287.758675 where: bonds (distance) C4'-P energy: -86.372 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -83.433 flat angles P-C4'-P energy: -59.534 tors. eta vs tors. theta energy: 26.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1895.693233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.693233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.693233 (E_RNA) where: Base-Base interactions energy: -1301.929 where: short stacking energy: -564.843 Base-Backbone interact. energy: -3.372 local terms energy: -590.392087 where: bonds (distance) C4'-P energy: -108.263 bonds (distance) P-C4' energy: -113.158 flat angles C4'-P-C4' energy: -120.223 flat angles P-C4'-P energy: -83.487 tors. eta vs tors. theta energy: -165.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1884.366031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.366031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.366031 (E_RNA) where: Base-Base interactions energy: -1305.984 where: short stacking energy: -545.400 Base-Backbone interact. energy: 0.144 local terms energy: -578.525961 where: bonds (distance) C4'-P energy: -99.789 bonds (distance) P-C4' energy: -109.318 flat angles C4'-P-C4' energy: -123.072 flat angles P-C4'-P energy: -87.482 tors. eta vs tors. theta energy: -158.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1726.089823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.089823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.089823 (E_RNA) where: Base-Base interactions energy: -1200.209 where: short stacking energy: -485.107 Base-Backbone interact. energy: 2.889 local terms energy: -528.769468 where: bonds (distance) C4'-P energy: -100.331 bonds (distance) P-C4' energy: -99.224 flat angles C4'-P-C4' energy: -120.742 flat angles P-C4'-P energy: -78.852 tors. eta vs tors. theta energy: -129.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1657.465324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.465324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.465324 (E_RNA) where: Base-Base interactions energy: -1133.682 where: short stacking energy: -493.532 Base-Backbone interact. energy: 0.002 local terms energy: -523.785240 where: bonds (distance) C4'-P energy: -106.679 bonds (distance) P-C4' energy: -100.133 flat angles C4'-P-C4' energy: -114.471 flat angles P-C4'-P energy: -69.528 tors. eta vs tors. theta energy: -132.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1641.017719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.017719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.017719 (E_RNA) where: Base-Base interactions energy: -1138.881 where: short stacking energy: -475.805 Base-Backbone interact. energy: -2.035 local terms energy: -500.102118 where: bonds (distance) C4'-P energy: -95.691 bonds (distance) P-C4' energy: -90.771 flat angles C4'-P-C4' energy: -110.875 flat angles P-C4'-P energy: -79.415 tors. eta vs tors. theta energy: -123.350 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: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1496.909703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.909703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.909703 (E_RNA) where: Base-Base interactions energy: -1026.497 where: short stacking energy: -431.777 Base-Backbone interact. energy: 0.983 local terms energy: -471.395163 where: bonds (distance) C4'-P energy: -96.437 bonds (distance) P-C4' energy: -98.232 flat angles C4'-P-C4' energy: -96.012 flat angles P-C4'-P energy: -71.679 tors. eta vs tors. theta energy: -109.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1329.489991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.489991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.489991 (E_RNA) where: Base-Base interactions energy: -899.403 where: short stacking energy: -381.733 Base-Backbone interact. energy: -0.750 local terms energy: -429.336214 where: bonds (distance) C4'-P energy: -83.829 bonds (distance) P-C4' energy: -92.693 flat angles C4'-P-C4' energy: -96.601 flat angles P-C4'-P energy: -71.643 tors. eta vs tors. theta energy: -84.571 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: 6 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1191.964579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.964579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.964579 (E_RNA) where: Base-Base interactions energy: -791.680 where: short stacking energy: -346.128 Base-Backbone interact. energy: -0.395 local terms energy: -399.889597 where: bonds (distance) C4'-P energy: -72.292 bonds (distance) P-C4' energy: -102.612 flat angles C4'-P-C4' energy: -103.825 flat angles P-C4'-P energy: -52.829 tors. eta vs tors. theta energy: -68.332 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: 9, replica: 9 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -968.730364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.730364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.730364 (E_RNA) where: Base-Base interactions energy: -620.519 where: short stacking energy: -311.706 Base-Backbone interact. energy: -1.539 local terms energy: -346.672179 where: bonds (distance) C4'-P energy: -65.501 bonds (distance) P-C4' energy: -92.670 flat angles C4'-P-C4' energy: -75.511 flat angles P-C4'-P energy: -53.921 tors. eta vs tors. theta energy: -59.069 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: 8 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -490.093464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.093464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.093464 (E_RNA) where: Base-Base interactions energy: -216.557 where: short stacking energy: -113.168 Base-Backbone interact. energy: -1.276 local terms energy: -272.259887 where: bonds (distance) C4'-P energy: -82.358 bonds (distance) P-C4' energy: -97.415 flat angles C4'-P-C4' energy: -70.958 flat angles P-C4'-P energy: -47.770 tors. eta vs tors. theta energy: 26.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1892.643245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.643245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.643245 (E_RNA) where: Base-Base interactions energy: -1286.029 where: short stacking energy: -578.376 Base-Backbone interact. energy: -1.138 local terms energy: -605.476325 where: bonds (distance) C4'-P energy: -112.352 bonds (distance) P-C4' energy: -110.917 flat angles C4'-P-C4' energy: -125.533 flat angles P-C4'-P energy: -79.633 tors. eta vs tors. theta energy: -177.042 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: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1873.286258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.286258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.286258 (E_RNA) where: Base-Base interactions energy: -1282.870 where: short stacking energy: -557.006 Base-Backbone interact. energy: -1.667 local terms energy: -588.749795 where: bonds (distance) C4'-P energy: -109.312 bonds (distance) P-C4' energy: -112.209 flat angles C4'-P-C4' energy: -111.052 flat angles P-C4'-P energy: -86.611 tors. eta vs tors. theta energy: -169.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1690.360122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.360122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.360122 (E_RNA) where: Base-Base interactions energy: -1157.323 where: short stacking energy: -511.879 Base-Backbone interact. energy: -0.606 local terms energy: -532.431781 where: bonds (distance) C4'-P energy: -99.355 bonds (distance) P-C4' energy: -104.250 flat angles C4'-P-C4' energy: -107.099 flat angles P-C4'-P energy: -75.424 tors. eta vs tors. theta energy: -146.304 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: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1663.201554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.201554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.201554 (E_RNA) where: Base-Base interactions energy: -1160.967 where: short stacking energy: -489.757 Base-Backbone interact. energy: -1.785 local terms energy: -500.448995 where: bonds (distance) C4'-P energy: -91.146 bonds (distance) P-C4' energy: -93.473 flat angles C4'-P-C4' energy: -103.798 flat angles P-C4'-P energy: -78.279 tors. eta vs tors. theta energy: -133.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1607.812922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.812922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.812922 (E_RNA) where: Base-Base interactions energy: -1095.499 where: short stacking energy: -482.138 Base-Backbone interact. energy: -2.730 local terms energy: -509.583774 where: bonds (distance) C4'-P energy: -106.593 bonds (distance) P-C4' energy: -95.194 flat angles C4'-P-C4' energy: -115.660 flat angles P-C4'-P energy: -54.497 tors. eta vs tors. theta energy: -137.639 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: 6, replica: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1482.230606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.230606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.230606 (E_RNA) where: Base-Base interactions energy: -1028.250 where: short stacking energy: -423.892 Base-Backbone interact. energy: -3.926 local terms energy: -450.054297 where: bonds (distance) C4'-P energy: -86.270 bonds (distance) P-C4' energy: -87.665 flat angles C4'-P-C4' energy: -109.686 flat angles P-C4'-P energy: -54.025 tors. eta vs tors. theta energy: -112.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1334.379642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.379642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.379642 (E_RNA) where: Base-Base interactions energy: -889.331 where: short stacking energy: -394.948 Base-Backbone interact. energy: -3.206 local terms energy: -441.842305 where: bonds (distance) C4'-P energy: -83.838 bonds (distance) P-C4' energy: -107.180 flat angles C4'-P-C4' energy: -105.154 flat angles P-C4'-P energy: -52.403 tors. eta vs tors. theta energy: -93.267 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: 8, replica: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1269.298484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.298484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.298484 (E_RNA) where: Base-Base interactions energy: -843.420 where: short stacking energy: -358.081 Base-Backbone interact. energy: 0.934 local terms energy: -426.812455 where: bonds (distance) C4'-P energy: -85.839 bonds (distance) P-C4' energy: -97.041 flat angles C4'-P-C4' energy: -82.415 flat angles P-C4'-P energy: -75.334 tors. eta vs tors. theta energy: -86.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -995.541984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.541984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.541984 (E_RNA) where: Base-Base interactions energy: -614.254 where: short stacking energy: -295.548 Base-Backbone interact. energy: 2.011 local terms energy: -383.299344 where: bonds (distance) C4'-P energy: -87.826 bonds (distance) P-C4' energy: -103.390 flat angles C4'-P-C4' energy: -78.392 flat angles P-C4'-P energy: -53.953 tors. eta vs tors. theta energy: -59.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -483.896591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.896591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.896591 (E_RNA) where: Base-Base interactions energy: -203.423 where: short stacking energy: -128.702 Base-Backbone interact. energy: 1.028 local terms energy: -281.502175 where: bonds (distance) C4'-P energy: -79.328 bonds (distance) P-C4' energy: -88.759 flat angles C4'-P-C4' energy: -80.211 flat angles P-C4'-P energy: -54.238 tors. eta vs tors. theta energy: 21.033 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: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1893.633390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.633390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.633390 (E_RNA) where: Base-Base interactions energy: -1287.884 where: short stacking energy: -573.610 Base-Backbone interact. energy: -0.907 local terms energy: -604.841572 where: bonds (distance) C4'-P energy: -113.744 bonds (distance) P-C4' energy: -119.101 flat angles C4'-P-C4' energy: -124.316 flat angles P-C4'-P energy: -84.236 tors. eta vs tors. theta energy: -163.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1859.324957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.324957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.324957 (E_RNA) where: Base-Base interactions energy: -1271.948 where: short stacking energy: -560.106 Base-Backbone interact. energy: -4.442 local terms energy: -582.934106 where: bonds (distance) C4'-P energy: -98.188 bonds (distance) P-C4' energy: -107.772 flat angles C4'-P-C4' energy: -118.153 flat angles P-C4'-P energy: -93.074 tors. eta vs tors. theta energy: -165.747 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: 1 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1694.501805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.501805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.501805 (E_RNA) where: Base-Base interactions energy: -1145.302 where: short stacking energy: -486.971 Base-Backbone interact. energy: -3.686 local terms energy: -545.514163 where: bonds (distance) C4'-P energy: -101.284 bonds (distance) P-C4' energy: -106.143 flat angles C4'-P-C4' energy: -117.345 flat angles P-C4'-P energy: -73.293 tors. eta vs tors. theta energy: -147.449 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: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1680.958968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.958968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.958968 (E_RNA) where: Base-Base interactions energy: -1157.620 where: short stacking energy: -498.748 Base-Backbone interact. energy: -0.598 local terms energy: -522.740801 where: bonds (distance) C4'-P energy: -94.192 bonds (distance) P-C4' energy: -91.512 flat angles C4'-P-C4' energy: -122.497 flat angles P-C4'-P energy: -75.073 tors. eta vs tors. theta energy: -139.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1628.954090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.954090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.954090 (E_RNA) where: Base-Base interactions energy: -1124.547 where: short stacking energy: -492.115 Base-Backbone interact. energy: -0.557 local terms energy: -503.849700 where: bonds (distance) C4'-P energy: -95.832 bonds (distance) P-C4' energy: -91.739 flat angles C4'-P-C4' energy: -110.041 flat angles P-C4'-P energy: -73.428 tors. eta vs tors. theta energy: -132.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1515.608195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.608195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.608195 (E_RNA) where: Base-Base interactions energy: -1046.756 where: short stacking energy: -439.654 Base-Backbone interact. energy: -2.032 local terms energy: -466.820203 where: bonds (distance) C4'-P energy: -93.318 bonds (distance) P-C4' energy: -103.438 flat angles C4'-P-C4' energy: -92.903 flat angles P-C4'-P energy: -67.717 tors. eta vs tors. theta energy: -109.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1318.978694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.978694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.978694 (E_RNA) where: Base-Base interactions energy: -864.751 where: short stacking energy: -384.508 Base-Backbone interact. energy: 0.049 local terms energy: -454.276767 where: bonds (distance) C4'-P energy: -109.696 bonds (distance) P-C4' energy: -99.508 flat angles C4'-P-C4' energy: -93.379 flat angles P-C4'-P energy: -58.553 tors. eta vs tors. theta energy: -93.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1178.897412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.897412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.897412 (E_RNA) where: Base-Base interactions energy: -773.011 where: short stacking energy: -318.125 Base-Backbone interact. energy: 7.470 local terms energy: -413.356953 where: bonds (distance) C4'-P energy: -87.463 bonds (distance) P-C4' energy: -92.723 flat angles C4'-P-C4' energy: -100.762 flat angles P-C4'-P energy: -67.156 tors. eta vs tors. theta energy: -65.253 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: 240 Temperature: 1.300000 Total energy: -1009.762153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.762153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.762153 (E_RNA) where: Base-Base interactions energy: -619.523 where: short stacking energy: -262.882 Base-Backbone interact. energy: -1.322 local terms energy: -388.916797 where: bonds (distance) C4'-P energy: -100.411 bonds (distance) P-C4' energy: -92.069 flat angles C4'-P-C4' energy: -88.715 flat angles P-C4'-P energy: -55.214 tors. eta vs tors. theta energy: -52.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -518.223471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.223471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.223471 (E_RNA) where: Base-Base interactions energy: -236.454 where: short stacking energy: -114.086 Base-Backbone interact. energy: 1.163 local terms energy: -282.932424 where: bonds (distance) C4'-P energy: -93.498 bonds (distance) P-C4' energy: -83.880 flat angles C4'-P-C4' energy: -76.596 flat angles P-C4'-P energy: -52.575 tors. eta vs tors. theta energy: 23.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1893.932203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.932203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.932203 (E_RNA) where: Base-Base interactions energy: -1298.382 where: short stacking energy: -561.609 Base-Backbone interact. energy: -1.221 local terms energy: -594.329890 where: bonds (distance) C4'-P energy: -96.212 bonds (distance) P-C4' energy: -106.699 flat angles C4'-P-C4' energy: -131.372 flat angles P-C4'-P energy: -93.483 tors. eta vs tors. theta energy: -166.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1849.298325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.298325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.298325 (E_RNA) where: Base-Base interactions energy: -1248.535 where: short stacking energy: -536.196 Base-Backbone interact. energy: -4.092 local terms energy: -596.670830 where: bonds (distance) C4'-P energy: -114.038 bonds (distance) P-C4' energy: -105.381 flat angles C4'-P-C4' energy: -121.584 flat angles P-C4'-P energy: -89.286 tors. eta vs tors. theta energy: -166.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1700.065000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.065000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.065000 (E_RNA) where: Base-Base interactions energy: -1142.495 where: short stacking energy: -501.242 Base-Backbone interact. energy: 0.755 local terms energy: -558.324885 where: bonds (distance) C4'-P energy: -86.997 bonds (distance) P-C4' energy: -120.386 flat angles C4'-P-C4' energy: -117.678 flat angles P-C4'-P energy: -86.799 tors. eta vs tors. theta energy: -146.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1672.585494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.585494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.585494 (E_RNA) where: Base-Base interactions energy: -1150.571 where: short stacking energy: -461.798 Base-Backbone interact. energy: -4.511 local terms energy: -517.503418 where: bonds (distance) C4'-P energy: -94.842 bonds (distance) P-C4' energy: -104.296 flat angles C4'-P-C4' energy: -117.351 flat angles P-C4'-P energy: -66.211 tors. eta vs tors. theta energy: -134.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1633.543025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.543025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.543025 (E_RNA) where: Base-Base interactions energy: -1133.340 where: short stacking energy: -506.925 Base-Backbone interact. energy: 3.761 local terms energy: -503.964502 where: bonds (distance) C4'-P energy: -91.628 bonds (distance) P-C4' energy: -96.026 flat angles C4'-P-C4' energy: -115.832 flat angles P-C4'-P energy: -61.165 tors. eta vs tors. theta energy: -139.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1523.050915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.050915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.050915 (E_RNA) where: Base-Base interactions energy: -1037.234 where: short stacking energy: -432.494 Base-Backbone interact. energy: 1.304 local terms energy: -487.120026 where: bonds (distance) C4'-P energy: -98.729 bonds (distance) P-C4' energy: -98.721 flat angles C4'-P-C4' energy: -104.651 flat angles P-C4'-P energy: -71.601 tors. eta vs tors. theta energy: -113.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1247.685903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.685903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.685903 (E_RNA) where: Base-Base interactions energy: -830.330 where: short stacking energy: -354.745 Base-Backbone interact. energy: 2.839 local terms energy: -420.194927 where: bonds (distance) C4'-P energy: -100.654 bonds (distance) P-C4' energy: -91.790 flat angles C4'-P-C4' energy: -94.458 flat angles P-C4'-P energy: -57.061 tors. eta vs tors. theta energy: -76.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1259.161978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.161978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.161978 (E_RNA) where: Base-Base interactions energy: -856.718 where: short stacking energy: -373.680 Base-Backbone interact. energy: 4.301 local terms energy: -406.745016 where: bonds (distance) C4'-P energy: -95.715 bonds (distance) P-C4' energy: -86.395 flat angles C4'-P-C4' energy: -82.244 flat angles P-C4'-P energy: -62.577 tors. eta vs tors. theta energy: -79.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -984.419300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.419300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.419300 (E_RNA) where: Base-Base interactions energy: -629.464 where: short stacking energy: -288.129 Base-Backbone interact. energy: -2.718 local terms energy: -352.237917 where: bonds (distance) C4'-P energy: -80.563 bonds (distance) P-C4' energy: -89.227 flat angles C4'-P-C4' energy: -81.932 flat angles P-C4'-P energy: -38.655 tors. eta vs tors. theta energy: -61.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -479.543203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.543203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.543203 (E_RNA) where: Base-Base interactions energy: -197.353 where: short stacking energy: -147.993 Base-Backbone interact. energy: 2.349 local terms energy: -284.539901 where: bonds (distance) C4'-P energy: -89.870 bonds (distance) P-C4' energy: -99.267 flat angles C4'-P-C4' energy: -68.440 flat angles P-C4'-P energy: -43.238 tors. eta vs tors. theta energy: 16.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1892.829740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.829740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.829740 (E_RNA) where: Base-Base interactions energy: -1287.721 where: short stacking energy: -562.634 Base-Backbone interact. energy: -0.648 local terms energy: -604.460279 where: bonds (distance) C4'-P energy: -97.256 bonds (distance) P-C4' energy: -117.504 flat angles C4'-P-C4' energy: -129.459 flat angles P-C4'-P energy: -89.864 tors. eta vs tors. theta energy: -170.378 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: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1852.950758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.950758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.950758 (E_RNA) where: Base-Base interactions energy: -1291.645 where: short stacking energy: -563.978 Base-Backbone interact. energy: -1.157 local terms energy: -560.148019 where: bonds (distance) C4'-P energy: -93.984 bonds (distance) P-C4' energy: -103.297 flat angles C4'-P-C4' energy: -112.026 flat angles P-C4'-P energy: -83.937 tors. eta vs tors. theta energy: -166.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1768.940372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.940372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.940372 (E_RNA) where: Base-Base interactions energy: -1195.387 where: short stacking energy: -524.287 Base-Backbone interact. energy: -2.002 local terms energy: -571.551586 where: bonds (distance) C4'-P energy: -103.192 bonds (distance) P-C4' energy: -108.383 flat angles C4'-P-C4' energy: -120.559 flat angles P-C4'-P energy: -78.590 tors. eta vs tors. theta energy: -160.828 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: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1651.091238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.091238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.091238 (E_RNA) where: Base-Base interactions energy: -1114.526 where: short stacking energy: -483.085 Base-Backbone interact. energy: -1.092 local terms energy: -535.473579 where: bonds (distance) C4'-P energy: -96.508 bonds (distance) P-C4' energy: -108.247 flat angles C4'-P-C4' energy: -111.221 flat angles P-C4'-P energy: -79.396 tors. eta vs tors. theta energy: -140.101 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: 10 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1592.849942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.849942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.849942 (E_RNA) where: Base-Base interactions energy: -1068.996 where: short stacking energy: -464.126 Base-Backbone interact. energy: -2.906 local terms energy: -520.947481 where: bonds (distance) C4'-P energy: -102.107 bonds (distance) P-C4' energy: -117.997 flat angles C4'-P-C4' energy: -106.904 flat angles P-C4'-P energy: -67.744 tors. eta vs tors. theta energy: -126.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1476.803221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.803221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.803221 (E_RNA) where: Base-Base interactions energy: -994.055 where: short stacking energy: -411.592 Base-Backbone interact. energy: -1.421 local terms energy: -481.327479 where: bonds (distance) C4'-P energy: -98.559 bonds (distance) P-C4' energy: -80.525 flat angles C4'-P-C4' energy: -113.894 flat angles P-C4'-P energy: -79.713 tors. eta vs tors. theta energy: -108.635 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: 242 Temperature: 1.200000 Total energy: -1286.844417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.844417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.844417 (E_RNA) where: Base-Base interactions energy: -878.548 where: short stacking energy: -377.232 Base-Backbone interact. energy: -2.206 local terms energy: -406.090759 where: bonds (distance) C4'-P energy: -88.923 bonds (distance) P-C4' energy: -81.273 flat angles C4'-P-C4' energy: -96.097 flat angles P-C4'-P energy: -55.070 tors. eta vs tors. theta energy: -84.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1239.543013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.543013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.543013 (E_RNA) where: Base-Base interactions energy: -831.595 where: short stacking energy: -354.015 Base-Backbone interact. energy: -0.881 local terms energy: -407.067692 where: bonds (distance) C4'-P energy: -76.616 bonds (distance) P-C4' energy: -99.032 flat angles C4'-P-C4' energy: -84.658 flat angles P-C4'-P energy: -66.017 tors. eta vs tors. theta energy: -80.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -984.588204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.588204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.588204 (E_RNA) where: Base-Base interactions energy: -630.600 where: short stacking energy: -296.009 Base-Backbone interact. energy: -0.756 local terms energy: -353.231583 where: bonds (distance) C4'-P energy: -70.623 bonds (distance) P-C4' energy: -83.312 flat angles C4'-P-C4' energy: -99.568 flat angles P-C4'-P energy: -42.258 tors. eta vs tors. theta energy: -57.470 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: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -498.770738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.770738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.770738 (E_RNA) where: Base-Base interactions energy: -203.488 where: short stacking energy: -122.133 Base-Backbone interact. energy: -1.075 local terms energy: -294.207585 where: bonds (distance) C4'-P energy: -94.244 bonds (distance) P-C4' energy: -101.906 flat angles C4'-P-C4' energy: -57.153 flat angles P-C4'-P energy: -52.671 tors. eta vs tors. theta energy: 11.766 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: 7 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1918.213694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.213694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.213694 (E_RNA) where: Base-Base interactions energy: -1304.826 where: short stacking energy: -573.054 Base-Backbone interact. energy: -2.496 local terms energy: -610.891837 where: bonds (distance) C4'-P energy: -109.686 bonds (distance) P-C4' energy: -116.409 flat angles C4'-P-C4' energy: -128.933 flat angles P-C4'-P energy: -84.805 tors. eta vs tors. theta energy: -171.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1846.657714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.657714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.657714 (E_RNA) where: Base-Base interactions energy: -1252.933 where: short stacking energy: -557.676 Base-Backbone interact. energy: -2.773 local terms energy: -590.952055 where: bonds (distance) C4'-P energy: -113.007 bonds (distance) P-C4' energy: -111.136 flat angles C4'-P-C4' energy: -118.408 flat angles P-C4'-P energy: -80.408 tors. eta vs tors. theta energy: -167.993 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: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1758.022435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.022435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.022435 (E_RNA) where: Base-Base interactions energy: -1206.492 where: short stacking energy: -496.262 Base-Backbone interact. energy: -4.261 local terms energy: -547.269415 where: bonds (distance) C4'-P energy: -98.089 bonds (distance) P-C4' energy: -110.586 flat angles C4'-P-C4' energy: -115.015 flat angles P-C4'-P energy: -74.618 tors. eta vs tors. theta energy: -148.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1605.377376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.377376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.377376 (E_RNA) where: Base-Base interactions energy: -1112.356 where: short stacking energy: -487.653 Base-Backbone interact. energy: -1.998 local terms energy: -491.023757 where: bonds (distance) C4'-P energy: -77.729 bonds (distance) P-C4' energy: -97.426 flat angles C4'-P-C4' energy: -121.450 flat angles P-C4'-P energy: -70.171 tors. eta vs tors. theta energy: -124.248 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: 5, replica: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1586.646952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.646952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.646952 (E_RNA) where: Base-Base interactions energy: -1060.470 where: short stacking energy: -449.104 Base-Backbone interact. energy: 0.668 local terms energy: -526.844991 where: bonds (distance) C4'-P energy: -109.570 bonds (distance) P-C4' energy: -99.067 flat angles C4'-P-C4' energy: -126.094 flat angles P-C4'-P energy: -66.174 tors. eta vs tors. theta energy: -125.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1474.135626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.135626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.135626 (E_RNA) where: Base-Base interactions energy: -1010.888 where: short stacking energy: -432.452 Base-Backbone interact. energy: 0.611 local terms energy: -463.858160 where: bonds (distance) C4'-P energy: -88.487 bonds (distance) P-C4' energy: -85.959 flat angles C4'-P-C4' energy: -111.062 flat angles P-C4'-P energy: -67.323 tors. eta vs tors. theta energy: -111.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1329.903689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.903689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.903689 (E_RNA) where: Base-Base interactions energy: -848.801 where: short stacking energy: -391.903 Base-Backbone interact. energy: -1.958 local terms energy: -479.144190 where: bonds (distance) C4'-P energy: -109.855 bonds (distance) P-C4' energy: -98.141 flat angles C4'-P-C4' energy: -102.615 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: -97.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1247.761892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.761892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.761892 (E_RNA) where: Base-Base interactions energy: -833.391 where: short stacking energy: -345.283 Base-Backbone interact. energy: -2.017 local terms energy: -412.353679 where: bonds (distance) C4'-P energy: -88.616 bonds (distance) P-C4' energy: -77.950 flat angles C4'-P-C4' energy: -96.248 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -86.390 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: 9 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1009.395402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.395402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.395402 (E_RNA) where: Base-Base interactions energy: -640.303 where: short stacking energy: -285.796 Base-Backbone interact. energy: 3.229 local terms energy: -372.321416 where: bonds (distance) C4'-P energy: -66.512 bonds (distance) P-C4' energy: -100.580 flat angles C4'-P-C4' energy: -90.015 flat angles P-C4'-P energy: -64.636 tors. eta vs tors. theta energy: -50.578 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: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -585.746485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.746485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.746485 (E_RNA) where: Base-Base interactions energy: -269.093 where: short stacking energy: -154.496 Base-Backbone interact. energy: 0.588 local terms energy: -317.241970 where: bonds (distance) C4'-P energy: -96.816 bonds (distance) P-C4' energy: -94.938 flat angles C4'-P-C4' energy: -73.373 flat angles P-C4'-P energy: -52.154 tors. eta vs tors. theta energy: 0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1936.037724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.037724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.037724 (E_RNA) where: Base-Base interactions energy: -1319.075 where: short stacking energy: -591.575 Base-Backbone interact. energy: -1.264 local terms energy: -615.698584 where: bonds (distance) C4'-P energy: -108.906 bonds (distance) P-C4' energy: -111.338 flat angles C4'-P-C4' energy: -123.003 flat angles P-C4'-P energy: -97.620 tors. eta vs tors. theta energy: -174.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1879.613651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.613651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.613651 (E_RNA) where: Base-Base interactions energy: -1280.710 where: short stacking energy: -574.528 Base-Backbone interact. energy: -4.202 local terms energy: -594.701713 where: bonds (distance) C4'-P energy: -107.255 bonds (distance) P-C4' energy: -106.394 flat angles C4'-P-C4' energy: -133.409 flat angles P-C4'-P energy: -77.423 tors. eta vs tors. theta energy: -170.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1758.324689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.324689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.324689 (E_RNA) where: Base-Base interactions energy: -1216.321 where: short stacking energy: -523.506 Base-Backbone interact. energy: 2.321 local terms energy: -544.323831 where: bonds (distance) C4'-P energy: -95.272 bonds (distance) P-C4' energy: -99.503 flat angles C4'-P-C4' energy: -118.235 flat angles P-C4'-P energy: -77.972 tors. eta vs tors. theta energy: -153.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1616.310052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.310052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.310052 (E_RNA) where: Base-Base interactions energy: -1112.570 where: short stacking energy: -479.808 Base-Backbone interact. energy: 2.424 local terms energy: -506.163431 where: bonds (distance) C4'-P energy: -89.638 bonds (distance) P-C4' energy: -100.777 flat angles C4'-P-C4' energy: -111.060 flat angles P-C4'-P energy: -69.634 tors. eta vs tors. theta energy: -135.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1611.086738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.086738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.086738 (E_RNA) where: Base-Base interactions energy: -1101.559 where: short stacking energy: -448.036 Base-Backbone interact. energy: -2.946 local terms energy: -506.581975 where: bonds (distance) C4'-P energy: -104.126 bonds (distance) P-C4' energy: -87.463 flat angles C4'-P-C4' energy: -114.078 flat angles P-C4'-P energy: -72.616 tors. eta vs tors. theta energy: -128.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1475.744400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.744400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.744400 (E_RNA) where: Base-Base interactions energy: -1014.241 where: short stacking energy: -410.659 Base-Backbone interact. energy: -1.489 local terms energy: -460.014601 where: bonds (distance) C4'-P energy: -99.628 bonds (distance) P-C4' energy: -101.120 flat angles C4'-P-C4' energy: -101.801 flat angles P-C4'-P energy: -53.089 tors. eta vs tors. theta energy: -104.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -1278.369145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.369145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.369145 (E_RNA) where: Base-Base interactions energy: -870.552 where: short stacking energy: -383.750 Base-Backbone interact. energy: -2.335 local terms energy: -405.481626 where: bonds (distance) C4'-P energy: -76.908 bonds (distance) P-C4' energy: -86.656 flat angles C4'-P-C4' energy: -103.230 flat angles P-C4'-P energy: -52.516 tors. eta vs tors. theta energy: -86.171 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: 2 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1267.753204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.753204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.753204 (E_RNA) where: Base-Base interactions energy: -856.450 where: short stacking energy: -363.362 Base-Backbone interact. energy: -1.901 local terms energy: -409.402170 where: bonds (distance) C4'-P energy: -94.625 bonds (distance) P-C4' energy: -78.539 flat angles C4'-P-C4' energy: -89.000 flat angles P-C4'-P energy: -63.114 tors. eta vs tors. theta energy: -84.123 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: 244 Temperature: 1.300000 Total energy: -991.768745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.768745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.768745 (E_RNA) where: Base-Base interactions energy: -621.828 where: short stacking energy: -279.114 Base-Backbone interact. energy: -1.925 local terms energy: -368.015690 where: bonds (distance) C4'-P energy: -85.173 bonds (distance) P-C4' energy: -99.825 flat angles C4'-P-C4' energy: -85.701 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -52.904 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: 8 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -585.432149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.432149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.432149 (E_RNA) where: Base-Base interactions energy: -293.901 where: short stacking energy: -176.176 Base-Backbone interact. energy: -1.351 local terms energy: -290.180719 where: bonds (distance) C4'-P energy: -77.282 bonds (distance) P-C4' energy: -93.580 flat angles C4'-P-C4' energy: -81.852 flat angles P-C4'-P energy: -31.298 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1909.016271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.016271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.016271 (E_RNA) where: Base-Base interactions energy: -1313.428 where: short stacking energy: -592.039 Base-Backbone interact. energy: -1.077 local terms energy: -594.511756 where: bonds (distance) C4'-P energy: -104.866 bonds (distance) P-C4' energy: -111.757 flat angles C4'-P-C4' energy: -123.948 flat angles P-C4'-P energy: -80.501 tors. eta vs tors. theta energy: -173.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1859.091970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.091970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.091970 (E_RNA) where: Base-Base interactions energy: -1282.318 where: short stacking energy: -542.778 Base-Backbone interact. energy: -2.531 local terms energy: -574.242706 where: bonds (distance) C4'-P energy: -103.797 bonds (distance) P-C4' energy: -110.655 flat angles C4'-P-C4' energy: -123.616 flat angles P-C4'-P energy: -71.610 tors. eta vs tors. theta energy: -164.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1729.223156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.223156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.223156 (E_RNA) where: Base-Base interactions energy: -1173.905 where: short stacking energy: -507.189 Base-Backbone interact. energy: -4.163 local terms energy: -551.154601 where: bonds (distance) C4'-P energy: -103.382 bonds (distance) P-C4' energy: -104.717 flat angles C4'-P-C4' energy: -116.598 flat angles P-C4'-P energy: -84.547 tors. eta vs tors. theta energy: -141.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1655.433203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.433203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.433203 (E_RNA) where: Base-Base interactions energy: -1144.351 where: short stacking energy: -498.252 Base-Backbone interact. energy: -2.354 local terms energy: -508.728062 where: bonds (distance) C4'-P energy: -96.790 bonds (distance) P-C4' energy: -100.716 flat angles C4'-P-C4' energy: -105.986 flat angles P-C4'-P energy: -59.445 tors. eta vs tors. theta energy: -145.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1584.401372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.401372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.401372 (E_RNA) where: Base-Base interactions energy: -1090.074 where: short stacking energy: -454.239 Base-Backbone interact. energy: -0.095 local terms energy: -494.232006 where: bonds (distance) C4'-P energy: -87.873 bonds (distance) P-C4' energy: -99.697 flat angles C4'-P-C4' energy: -102.255 flat angles P-C4'-P energy: -78.861 tors. eta vs tors. theta energy: -125.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1485.258841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.258841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.258841 (E_RNA) where: Base-Base interactions energy: -1007.732 where: short stacking energy: -424.483 Base-Backbone interact. energy: 2.516 local terms energy: -480.042599 where: bonds (distance) C4'-P energy: -94.617 bonds (distance) P-C4' energy: -102.249 flat angles C4'-P-C4' energy: -106.270 flat angles P-C4'-P energy: -68.214 tors. eta vs tors. theta energy: -108.692 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: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1336.687808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.687808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.687808 (E_RNA) where: Base-Base interactions energy: -892.798 where: short stacking energy: -387.078 Base-Backbone interact. energy: -1.257 local terms energy: -442.633222 where: bonds (distance) C4'-P energy: -87.997 bonds (distance) P-C4' energy: -87.318 flat angles C4'-P-C4' energy: -101.468 flat angles P-C4'-P energy: -72.868 tors. eta vs tors. theta energy: -92.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1203.553858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.553858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.553858 (E_RNA) where: Base-Base interactions energy: -804.642 where: short stacking energy: -356.166 Base-Backbone interact. energy: -3.499 local terms energy: -395.412692 where: bonds (distance) C4'-P energy: -79.452 bonds (distance) P-C4' energy: -76.494 flat angles C4'-P-C4' energy: -99.626 flat angles P-C4'-P energy: -60.101 tors. eta vs tors. theta energy: -79.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -971.096806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.096806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.096806 (E_RNA) where: Base-Base interactions energy: -623.827 where: short stacking energy: -283.405 Base-Backbone interact. energy: 0.658 local terms energy: -347.928253 where: bonds (distance) C4'-P energy: -75.008 bonds (distance) P-C4' energy: -71.903 flat angles C4'-P-C4' energy: -92.280 flat angles P-C4'-P energy: -54.510 tors. eta vs tors. theta energy: -54.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -548.210665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.210665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.210665 (E_RNA) where: Base-Base interactions energy: -257.023 where: short stacking energy: -134.966 Base-Backbone interact. energy: 1.639 local terms energy: -292.826718 where: bonds (distance) C4'-P energy: -73.153 bonds (distance) P-C4' energy: -100.451 flat angles C4'-P-C4' energy: -83.838 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: 12.534 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: 1, replica: 7 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1919.854158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.854158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.854158 (E_RNA) where: Base-Base interactions energy: -1288.364 where: short stacking energy: -588.445 Base-Backbone interact. energy: 0.013 local terms energy: -631.503718 where: bonds (distance) C4'-P energy: -117.148 bonds (distance) P-C4' energy: -117.870 flat angles C4'-P-C4' energy: -120.891 flat angles P-C4'-P energy: -92.896 tors. eta vs tors. theta energy: -182.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1835.904535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.904535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.904535 (E_RNA) where: Base-Base interactions energy: -1253.684 where: short stacking energy: -538.663 Base-Backbone interact. energy: -3.457 local terms energy: -578.764149 where: bonds (distance) C4'-P energy: -108.566 bonds (distance) P-C4' energy: -100.105 flat angles C4'-P-C4' energy: -126.050 flat angles P-C4'-P energy: -81.466 tors. eta vs tors. theta energy: -162.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1769.370759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.370759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.370759 (E_RNA) where: Base-Base interactions energy: -1205.470 where: short stacking energy: -507.884 Base-Backbone interact. energy: -0.180 local terms energy: -563.720949 where: bonds (distance) C4'-P energy: -105.847 bonds (distance) P-C4' energy: -94.791 flat angles C4'-P-C4' energy: -120.075 flat angles P-C4'-P energy: -87.120 tors. eta vs tors. theta energy: -155.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1654.168263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.168263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.168263 (E_RNA) where: Base-Base interactions energy: -1128.577 where: short stacking energy: -474.478 Base-Backbone interact. energy: -3.105 local terms energy: -522.485902 where: bonds (distance) C4'-P energy: -111.932 bonds (distance) P-C4' energy: -85.995 flat angles C4'-P-C4' energy: -112.722 flat angles P-C4'-P energy: -75.999 tors. eta vs tors. theta energy: -135.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1589.439033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.439033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.439033 (E_RNA) where: Base-Base interactions energy: -1078.381 where: short stacking energy: -468.982 Base-Backbone interact. energy: -1.995 local terms energy: -509.062480 where: bonds (distance) C4'-P energy: -96.763 bonds (distance) P-C4' energy: -96.922 flat angles C4'-P-C4' energy: -101.896 flat angles P-C4'-P energy: -80.349 tors. eta vs tors. theta energy: -133.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1442.979081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.979081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.979081 (E_RNA) where: Base-Base interactions energy: -979.514 where: short stacking energy: -419.104 Base-Backbone interact. energy: -0.118 local terms energy: -463.347260 where: bonds (distance) C4'-P energy: -96.767 bonds (distance) P-C4' energy: -100.973 flat angles C4'-P-C4' energy: -99.773 flat angles P-C4'-P energy: -67.098 tors. eta vs tors. theta energy: -98.736 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: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1291.344744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.344744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.344744 (E_RNA) where: Base-Base interactions energy: -839.351 where: short stacking energy: -378.641 Base-Backbone interact. energy: -2.210 local terms energy: -449.784297 where: bonds (distance) C4'-P energy: -88.494 bonds (distance) P-C4' energy: -99.298 flat angles C4'-P-C4' energy: -101.479 flat angles P-C4'-P energy: -60.061 tors. eta vs tors. theta energy: -100.452 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: 8, replica: 2 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1202.269974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.269974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.269974 (E_RNA) where: Base-Base interactions energy: -805.394 where: short stacking energy: -326.526 Base-Backbone interact. energy: -0.907 local terms energy: -395.968851 where: bonds (distance) C4'-P energy: -87.079 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -97.377 flat angles P-C4'-P energy: -49.812 tors. eta vs tors. theta energy: -75.285 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: 246 Temperature: 1.300000 Total energy: -1009.538539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.538539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.538539 (E_RNA) where: Base-Base interactions energy: -625.934 where: short stacking energy: -295.222 Base-Backbone interact. energy: -1.054 local terms energy: -382.550332 where: bonds (distance) C4'-P energy: -79.427 bonds (distance) P-C4' energy: -98.731 flat angles C4'-P-C4' energy: -87.572 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -63.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -526.850003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.850003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.850003 (E_RNA) where: Base-Base interactions energy: -218.379 where: short stacking energy: -115.828 Base-Backbone interact. energy: -2.670 local terms energy: -305.800732 where: bonds (distance) C4'-P energy: -97.258 bonds (distance) P-C4' energy: -107.368 flat angles C4'-P-C4' energy: -84.614 flat angles P-C4'-P energy: -33.291 tors. eta vs tors. theta energy: 16.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1906.858873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.858873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.858873 (E_RNA) where: Base-Base interactions energy: -1292.628 where: short stacking energy: -558.717 Base-Backbone interact. energy: -4.407 local terms energy: -609.823466 where: bonds (distance) C4'-P energy: -115.292 bonds (distance) P-C4' energy: -109.082 flat angles C4'-P-C4' energy: -122.227 flat angles P-C4'-P energy: -88.775 tors. eta vs tors. theta energy: -174.448 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: 247 Temperature: 0.950000 Total energy: -1849.850806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.850806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.850806 (E_RNA) where: Base-Base interactions energy: -1259.878 where: short stacking energy: -539.491 Base-Backbone interact. energy: 1.995 local terms energy: -591.968479 where: bonds (distance) C4'-P energy: -105.356 bonds (distance) P-C4' energy: -120.926 flat angles C4'-P-C4' energy: -129.529 flat angles P-C4'-P energy: -69.983 tors. eta vs tors. theta energy: -166.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1776.475678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.475678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.475678 (E_RNA) where: Base-Base interactions energy: -1236.250 where: short stacking energy: -502.356 Base-Backbone interact. energy: -0.248 local terms energy: -539.977184 where: bonds (distance) C4'-P energy: -103.010 bonds (distance) P-C4' energy: -100.721 flat angles C4'-P-C4' energy: -120.065 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -136.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1673.032756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.032756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.032756 (E_RNA) where: Base-Base interactions energy: -1156.638 where: short stacking energy: -503.309 Base-Backbone interact. energy: 2.000 local terms energy: -518.394573 where: bonds (distance) C4'-P energy: -108.515 bonds (distance) P-C4' energy: -104.519 flat angles C4'-P-C4' energy: -94.486 flat angles P-C4'-P energy: -70.497 tors. eta vs tors. theta energy: -140.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1569.457041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.457041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.457041 (E_RNA) where: Base-Base interactions energy: -1064.145 where: short stacking energy: -437.044 Base-Backbone interact. energy: -0.838 local terms energy: -504.474571 where: bonds (distance) C4'-P energy: -87.659 bonds (distance) P-C4' energy: -105.983 flat angles C4'-P-C4' energy: -116.057 flat angles P-C4'-P energy: -72.136 tors. eta vs tors. theta energy: -122.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1458.961879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.961879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.961879 (E_RNA) where: Base-Base interactions energy: -1000.131 where: short stacking energy: -417.022 Base-Backbone interact. energy: 0.698 local terms energy: -459.529001 where: bonds (distance) C4'-P energy: -90.048 bonds (distance) P-C4' energy: -94.351 flat angles C4'-P-C4' energy: -107.578 flat angles P-C4'-P energy: -57.120 tors. eta vs tors. theta energy: -110.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1261.485345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.485345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.485345 (E_RNA) where: Base-Base interactions energy: -847.141 where: short stacking energy: -376.080 Base-Backbone interact. energy: -1.235 local terms energy: -413.109574 where: bonds (distance) C4'-P energy: -84.756 bonds (distance) P-C4' energy: -90.560 flat angles C4'-P-C4' energy: -95.789 flat angles P-C4'-P energy: -62.071 tors. eta vs tors. theta energy: -79.933 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: 2 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1141.874762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.874762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.874762 (E_RNA) where: Base-Base interactions energy: -732.663 where: short stacking energy: -319.108 Base-Backbone interact. energy: -1.498 local terms energy: -407.713499 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -104.347 flat angles C4'-P-C4' energy: -91.387 flat angles P-C4'-P energy: -63.803 tors. eta vs tors. theta energy: -67.623 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: 9 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -949.537280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.537280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.537280 (E_RNA) where: Base-Base interactions energy: -588.164 where: short stacking energy: -287.293 Base-Backbone interact. energy: 2.709 local terms energy: -364.081816 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -96.690 flat angles C4'-P-C4' energy: -87.363 flat angles P-C4'-P energy: -45.345 tors. eta vs tors. theta energy: -59.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -517.524600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.524600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.524600 (E_RNA) where: Base-Base interactions energy: -236.129 where: short stacking energy: -151.793 Base-Backbone interact. energy: -0.924 local terms energy: -280.472019 where: bonds (distance) C4'-P energy: -81.689 bonds (distance) P-C4' energy: -77.607 flat angles C4'-P-C4' energy: -76.008 flat angles P-C4'-P energy: -55.464 tors. eta vs tors. theta energy: 10.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1917.414861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.414861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.414861 (E_RNA) where: Base-Base interactions energy: -1301.498 where: short stacking energy: -575.004 Base-Backbone interact. energy: -1.996 local terms energy: -613.921806 where: bonds (distance) C4'-P energy: -112.191 bonds (distance) P-C4' energy: -123.084 flat angles C4'-P-C4' energy: -117.071 flat angles P-C4'-P energy: -85.972 tors. eta vs tors. theta energy: -175.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1841.678042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.678042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.678042 (E_RNA) where: Base-Base interactions energy: -1260.407 where: short stacking energy: -560.213 Base-Backbone interact. energy: -1.629 local terms energy: -579.642029 where: bonds (distance) C4'-P energy: -104.373 bonds (distance) P-C4' energy: -113.498 flat angles C4'-P-C4' energy: -110.823 flat angles P-C4'-P energy: -85.324 tors. eta vs tors. theta energy: -165.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1809.960587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.960587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.960587 (E_RNA) where: Base-Base interactions energy: -1243.164 where: short stacking energy: -524.370 Base-Backbone interact. energy: -3.509 local terms energy: -563.287096 where: bonds (distance) C4'-P energy: -95.055 bonds (distance) P-C4' energy: -117.086 flat angles C4'-P-C4' energy: -121.109 flat angles P-C4'-P energy: -77.975 tors. eta vs tors. theta energy: -152.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1627.009386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.009386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.009386 (E_RNA) where: Base-Base interactions energy: -1100.672 where: short stacking energy: -463.898 Base-Backbone interact. energy: -1.523 local terms energy: -524.814331 where: bonds (distance) C4'-P energy: -98.958 bonds (distance) P-C4' energy: -116.167 flat angles C4'-P-C4' energy: -106.579 flat angles P-C4'-P energy: -68.360 tors. eta vs tors. theta energy: -134.751 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: 5, replica: 10 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1602.379818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.379818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.379818 (E_RNA) where: Base-Base interactions energy: -1107.477 where: short stacking energy: -472.447 Base-Backbone interact. energy: 3.668 local terms energy: -498.570256 where: bonds (distance) C4'-P energy: -102.230 bonds (distance) P-C4' energy: -81.729 flat angles C4'-P-C4' energy: -105.815 flat angles P-C4'-P energy: -78.506 tors. eta vs tors. theta energy: -130.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1440.630193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.630193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.630193 (E_RNA) where: Base-Base interactions energy: -966.792 where: short stacking energy: -420.742 Base-Backbone interact. energy: -5.879 local terms energy: -467.959272 where: bonds (distance) C4'-P energy: -82.756 bonds (distance) P-C4' energy: -108.714 flat angles C4'-P-C4' energy: -109.820 flat angles P-C4'-P energy: -54.608 tors. eta vs tors. theta energy: -112.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1280.274572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.274572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.274572 (E_RNA) where: Base-Base interactions energy: -855.943 where: short stacking energy: -363.611 Base-Backbone interact. energy: 2.622 local terms energy: -426.953521 where: bonds (distance) C4'-P energy: -88.791 bonds (distance) P-C4' energy: -74.852 flat angles C4'-P-C4' energy: -108.847 flat angles P-C4'-P energy: -72.620 tors. eta vs tors. theta energy: -81.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1135.802413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.802413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.802413 (E_RNA) where: Base-Base interactions energy: -749.150 where: short stacking energy: -326.613 Base-Backbone interact. energy: 0.499 local terms energy: -387.151317 where: bonds (distance) C4'-P energy: -87.397 bonds (distance) P-C4' energy: -88.854 flat angles C4'-P-C4' energy: -89.680 flat angles P-C4'-P energy: -52.898 tors. eta vs tors. theta energy: -68.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -975.731777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.731777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.731777 (E_RNA) where: Base-Base interactions energy: -591.266 where: short stacking energy: -276.591 Base-Backbone interact. energy: 0.179 local terms energy: -384.645655 where: bonds (distance) C4'-P energy: -89.698 bonds (distance) P-C4' energy: -90.718 flat angles C4'-P-C4' energy: -93.887 flat angles P-C4'-P energy: -53.905 tors. eta vs tors. theta energy: -56.437 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: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -515.815972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.815972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.815972 (E_RNA) where: Base-Base interactions energy: -259.873 where: short stacking energy: -136.902 Base-Backbone interact. energy: -1.478 local terms energy: -254.464823 where: bonds (distance) C4'-P energy: -99.130 bonds (distance) P-C4' energy: -61.050 flat angles C4'-P-C4' energy: -65.673 flat angles P-C4'-P energy: -40.955 tors. eta vs tors. theta energy: 12.344 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: 1, replica: 7 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1880.542556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.542556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.542556 (E_RNA) where: Base-Base interactions energy: -1268.473 where: short stacking energy: -545.997 Base-Backbone interact. energy: -2.106 local terms energy: -609.963681 where: bonds (distance) C4'-P energy: -120.905 bonds (distance) P-C4' energy: -121.949 flat angles C4'-P-C4' energy: -133.284 flat angles P-C4'-P energy: -79.960 tors. eta vs tors. theta energy: -153.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1855.562755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.562755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.562755 (E_RNA) where: Base-Base interactions energy: -1273.959 where: short stacking energy: -537.541 Base-Backbone interact. energy: -2.406 local terms energy: -579.198126 where: bonds (distance) C4'-P energy: -110.115 bonds (distance) P-C4' energy: -105.038 flat angles C4'-P-C4' energy: -124.555 flat angles P-C4'-P energy: -78.753 tors. eta vs tors. theta energy: -160.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1816.677911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.677911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.677911 (E_RNA) where: Base-Base interactions energy: -1257.665 where: short stacking energy: -514.266 Base-Backbone interact. energy: -2.009 local terms energy: -557.003840 where: bonds (distance) C4'-P energy: -106.353 bonds (distance) P-C4' energy: -102.772 flat angles C4'-P-C4' energy: -121.600 flat angles P-C4'-P energy: -82.940 tors. eta vs tors. theta energy: -143.338 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: 4, replica: 10 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1641.984362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.984362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.984362 (E_RNA) where: Base-Base interactions energy: -1112.386 where: short stacking energy: -467.211 Base-Backbone interact. energy: -0.869 local terms energy: -528.729210 where: bonds (distance) C4'-P energy: -105.576 bonds (distance) P-C4' energy: -105.006 flat angles C4'-P-C4' energy: -110.335 flat angles P-C4'-P energy: -72.569 tors. eta vs tors. theta energy: -135.243 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: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1567.240172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.240172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.240172 (E_RNA) where: Base-Base interactions energy: -1075.672 where: short stacking energy: -438.346 Base-Backbone interact. energy: -3.967 local terms energy: -487.600612 where: bonds (distance) C4'-P energy: -94.619 bonds (distance) P-C4' energy: -87.709 flat angles C4'-P-C4' energy: -104.166 flat angles P-C4'-P energy: -75.495 tors. eta vs tors. theta energy: -125.611 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: 6, replica: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1469.389694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.389694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.389694 (E_RNA) where: Base-Base interactions energy: -998.780 where: short stacking energy: -433.263 Base-Backbone interact. energy: -1.286 local terms energy: -469.324436 where: bonds (distance) C4'-P energy: -92.773 bonds (distance) P-C4' energy: -104.702 flat angles C4'-P-C4' energy: -102.048 flat angles P-C4'-P energy: -55.263 tors. eta vs tors. theta energy: -114.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1282.141571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.141571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.141571 (E_RNA) where: Base-Base interactions energy: -857.709 where: short stacking energy: -362.904 Base-Backbone interact. energy: 1.921 local terms energy: -426.353636 where: bonds (distance) C4'-P energy: -81.281 bonds (distance) P-C4' energy: -114.559 flat angles C4'-P-C4' energy: -84.853 flat angles P-C4'-P energy: -67.749 tors. eta vs tors. theta energy: -77.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1045.066566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.066566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.066566 (E_RNA) where: Base-Base interactions energy: -667.132 where: short stacking energy: -301.825 Base-Backbone interact. energy: -0.332 local terms energy: -377.602962 where: bonds (distance) C4'-P energy: -82.194 bonds (distance) P-C4' energy: -85.455 flat angles C4'-P-C4' energy: -98.082 flat angles P-C4'-P energy: -50.380 tors. eta vs tors. theta energy: -61.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1083.312606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.312606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.312606 (E_RNA) where: Base-Base interactions energy: -710.174 where: short stacking energy: -313.266 Base-Backbone interact. energy: 1.995 local terms energy: -375.134335 where: bonds (distance) C4'-P energy: -74.325 bonds (distance) P-C4' energy: -91.503 flat angles C4'-P-C4' energy: -83.142 flat angles P-C4'-P energy: -56.427 tors. eta vs tors. theta energy: -69.737 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: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -552.627923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.627923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.627923 (E_RNA) where: Base-Base interactions energy: -257.419 where: short stacking energy: -164.686 Base-Backbone interact. energy: 4.990 local terms energy: -300.198886 where: bonds (distance) C4'-P energy: -83.857 bonds (distance) P-C4' energy: -91.292 flat angles C4'-P-C4' energy: -87.055 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: 5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1898.336140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.336140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.336140 (E_RNA) where: Base-Base interactions energy: -1334.105 where: short stacking energy: -573.380 Base-Backbone interact. energy: -1.447 local terms energy: -562.784170 where: bonds (distance) C4'-P energy: -94.530 bonds (distance) P-C4' energy: -103.549 flat angles C4'-P-C4' energy: -125.415 flat angles P-C4'-P energy: -77.400 tors. eta vs tors. theta energy: -161.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1842.349822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.349822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.349822 (E_RNA) where: Base-Base interactions energy: -1266.910 where: short stacking energy: -543.245 Base-Backbone interact. energy: 0.973 local terms energy: -576.413104 where: bonds (distance) C4'-P energy: -101.101 bonds (distance) P-C4' energy: -106.492 flat angles C4'-P-C4' energy: -119.278 flat angles P-C4'-P energy: -82.013 tors. eta vs tors. theta energy: -167.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1767.301433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.301433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.301433 (E_RNA) where: Base-Base interactions energy: -1228.689 where: short stacking energy: -531.412 Base-Backbone interact. energy: -3.154 local terms energy: -535.458381 where: bonds (distance) C4'-P energy: -77.648 bonds (distance) P-C4' energy: -105.925 flat angles C4'-P-C4' energy: -122.239 flat angles P-C4'-P energy: -81.421 tors. eta vs tors. theta energy: -148.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1634.737413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.737413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.737413 (E_RNA) where: Base-Base interactions energy: -1089.998 where: short stacking energy: -483.285 Base-Backbone interact. energy: -0.482 local terms energy: -544.257764 where: bonds (distance) C4'-P energy: -95.675 bonds (distance) P-C4' energy: -105.297 flat angles C4'-P-C4' energy: -119.449 flat angles P-C4'-P energy: -83.754 tors. eta vs tors. theta energy: -140.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1554.027788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.027788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.027788 (E_RNA) where: Base-Base interactions energy: -1044.257 where: short stacking energy: -454.345 Base-Backbone interact. energy: -3.203 local terms energy: -506.567814 where: bonds (distance) C4'-P energy: -89.910 bonds (distance) P-C4' energy: -112.580 flat angles C4'-P-C4' energy: -111.198 flat angles P-C4'-P energy: -67.102 tors. eta vs tors. theta energy: -125.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1483.911682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.911682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.911682 (E_RNA) where: Base-Base interactions energy: -1019.027 where: short stacking energy: -401.253 Base-Backbone interact. energy: -3.717 local terms energy: -461.167323 where: bonds (distance) C4'-P energy: -94.915 bonds (distance) P-C4' energy: -96.359 flat angles C4'-P-C4' energy: -91.301 flat angles P-C4'-P energy: -74.223 tors. eta vs tors. theta energy: -104.370 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: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1275.702863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.702863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.702863 (E_RNA) where: Base-Base interactions energy: -840.175 where: short stacking energy: -337.336 Base-Backbone interact. energy: -0.684 local terms energy: -434.843818 where: bonds (distance) C4'-P energy: -88.524 bonds (distance) P-C4' energy: -82.592 flat angles C4'-P-C4' energy: -107.592 flat angles P-C4'-P energy: -71.281 tors. eta vs tors. theta energy: -84.856 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: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1039.547312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.547312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.547312 (E_RNA) where: Base-Base interactions energy: -678.232 where: short stacking energy: -323.875 Base-Backbone interact. energy: 2.351 local terms energy: -363.666304 where: bonds (distance) C4'-P energy: -75.574 bonds (distance) P-C4' energy: -82.464 flat angles C4'-P-C4' energy: -80.999 flat angles P-C4'-P energy: -59.877 tors. eta vs tors. theta energy: -64.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1065.427936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.427936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.427936 (E_RNA) where: Base-Base interactions energy: -678.346 where: short stacking energy: -289.336 Base-Backbone interact. energy: 2.901 local terms energy: -389.983075 where: bonds (distance) C4'-P energy: -78.824 bonds (distance) P-C4' energy: -84.557 flat angles C4'-P-C4' energy: -111.457 flat angles P-C4'-P energy: -60.843 tors. eta vs tors. theta energy: -54.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -567.312886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.312886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.312886 (E_RNA) where: Base-Base interactions energy: -272.489 where: short stacking energy: -157.940 Base-Backbone interact. energy: 3.566 local terms energy: -298.390215 where: bonds (distance) C4'-P energy: -80.039 bonds (distance) P-C4' energy: -95.404 flat angles C4'-P-C4' energy: -92.267 flat angles P-C4'-P energy: -34.106 tors. eta vs tors. theta energy: 3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1900.204784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.204784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.204784 (E_RNA) where: Base-Base interactions energy: -1296.627 where: short stacking energy: -527.905 Base-Backbone interact. energy: -1.102 local terms energy: -602.475509 where: bonds (distance) C4'-P energy: -114.562 bonds (distance) P-C4' energy: -111.549 flat angles C4'-P-C4' energy: -117.691 flat angles P-C4'-P energy: -97.414 tors. eta vs tors. theta energy: -161.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1845.018967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.018967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.018967 (E_RNA) where: Base-Base interactions energy: -1249.608 where: short stacking energy: -557.228 Base-Backbone interact. energy: -2.293 local terms energy: -593.117433 where: bonds (distance) C4'-P energy: -102.278 bonds (distance) P-C4' energy: -101.956 flat angles C4'-P-C4' energy: -127.441 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -171.074 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: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1773.815324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.815324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.815324 (E_RNA) where: Base-Base interactions energy: -1218.069 where: short stacking energy: -519.946 Base-Backbone interact. energy: -1.202 local terms energy: -554.544517 where: bonds (distance) C4'-P energy: -101.747 bonds (distance) P-C4' energy: -99.481 flat angles C4'-P-C4' energy: -114.205 flat angles P-C4'-P energy: -85.388 tors. eta vs tors. theta energy: -153.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1593.199425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.199425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.199425 (E_RNA) where: Base-Base interactions energy: -1083.189 where: short stacking energy: -499.057 Base-Backbone interact. energy: 1.157 local terms energy: -511.166841 where: bonds (distance) C4'-P energy: -94.106 bonds (distance) P-C4' energy: -80.025 flat angles C4'-P-C4' energy: -119.155 flat angles P-C4'-P energy: -81.090 tors. eta vs tors. theta energy: -136.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1560.193048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.193048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.193048 (E_RNA) where: Base-Base interactions energy: -1070.355 where: short stacking energy: -450.815 Base-Backbone interact. energy: -2.580 local terms energy: -487.258205 where: bonds (distance) C4'-P energy: -92.739 bonds (distance) P-C4' energy: -92.843 flat angles C4'-P-C4' energy: -112.283 flat angles P-C4'-P energy: -72.540 tors. eta vs tors. theta energy: -116.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1473.030108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.030108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.030108 (E_RNA) where: Base-Base interactions energy: -1014.673 where: short stacking energy: -420.737 Base-Backbone interact. energy: -1.281 local terms energy: -457.075818 where: bonds (distance) C4'-P energy: -88.261 bonds (distance) P-C4' energy: -100.302 flat angles C4'-P-C4' energy: -93.093 flat angles P-C4'-P energy: -66.817 tors. eta vs tors. theta energy: -108.603 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: 251 Temperature: 1.200000 Total energy: -1280.472185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.472185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.472185 (E_RNA) where: Base-Base interactions energy: -847.637 where: short stacking energy: -361.767 Base-Backbone interact. energy: -1.118 local terms energy: -431.716557 where: bonds (distance) C4'-P energy: -95.556 bonds (distance) P-C4' energy: -99.862 flat angles C4'-P-C4' energy: -88.604 flat angles P-C4'-P energy: -65.736 tors. eta vs tors. theta energy: -81.959 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: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1047.965319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.965319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.965319 (E_RNA) where: Base-Base interactions energy: -665.122 where: short stacking energy: -315.138 Base-Backbone interact. energy: 2.131 local terms energy: -384.975028 where: bonds (distance) C4'-P energy: -93.082 bonds (distance) P-C4' energy: -77.824 flat angles C4'-P-C4' energy: -90.380 flat angles P-C4'-P energy: -71.135 tors. eta vs tors. theta energy: -52.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -986.072139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.072139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.072139 (E_RNA) where: Base-Base interactions energy: -613.930 where: short stacking energy: -275.673 Base-Backbone interact. energy: 6.931 local terms energy: -379.073286 where: bonds (distance) C4'-P energy: -95.461 bonds (distance) P-C4' energy: -100.243 flat angles C4'-P-C4' energy: -78.847 flat angles P-C4'-P energy: -64.479 tors. eta vs tors. theta energy: -40.043 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: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -511.373249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.373249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.373249 (E_RNA) where: Base-Base interactions energy: -207.549 where: short stacking energy: -143.588 Base-Backbone interact. energy: -0.129 local terms energy: -303.695933 where: bonds (distance) C4'-P energy: -71.442 bonds (distance) P-C4' energy: -98.758 flat angles C4'-P-C4' energy: -86.428 flat angles P-C4'-P energy: -54.446 tors. eta vs tors. theta energy: 7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1917.988130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.988130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.988130 (E_RNA) where: Base-Base interactions energy: -1310.383 where: short stacking energy: -594.304 Base-Backbone interact. energy: -0.461 local terms energy: -607.144515 where: bonds (distance) C4'-P energy: -105.070 bonds (distance) P-C4' energy: -104.342 flat angles C4'-P-C4' energy: -133.895 flat angles P-C4'-P energy: -86.171 tors. eta vs tors. theta energy: -177.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1824.948898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.948898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.948898 (E_RNA) where: Base-Base interactions energy: -1243.726 where: short stacking energy: -560.821 Base-Backbone interact. energy: -2.047 local terms energy: -579.176148 where: bonds (distance) C4'-P energy: -98.349 bonds (distance) P-C4' energy: -99.255 flat angles C4'-P-C4' energy: -130.812 flat angles P-C4'-P energy: -83.416 tors. eta vs tors. theta energy: -167.345 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: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1799.811726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.811726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.811726 (E_RNA) where: Base-Base interactions energy: -1218.907 where: short stacking energy: -512.483 Base-Backbone interact. energy: -3.777 local terms energy: -577.128469 where: bonds (distance) C4'-P energy: -114.658 bonds (distance) P-C4' energy: -102.049 flat angles C4'-P-C4' energy: -117.174 flat angles P-C4'-P energy: -85.824 tors. eta vs tors. theta energy: -157.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1629.581793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.581793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.581793 (E_RNA) where: Base-Base interactions energy: -1107.355 where: short stacking energy: -491.467 Base-Backbone interact. energy: -3.348 local terms energy: -518.879267 where: bonds (distance) C4'-P energy: -95.705 bonds (distance) P-C4' energy: -109.230 flat angles C4'-P-C4' energy: -109.499 flat angles P-C4'-P energy: -77.890 tors. eta vs tors. theta energy: -126.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1514.502455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.502455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.502455 (E_RNA) where: Base-Base interactions energy: -1020.472 where: short stacking energy: -415.309 Base-Backbone interact. energy: -0.328 local terms energy: -493.702907 where: bonds (distance) C4'-P energy: -86.271 bonds (distance) P-C4' energy: -96.604 flat angles C4'-P-C4' energy: -119.810 flat angles P-C4'-P energy: -74.925 tors. eta vs tors. theta energy: -116.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1466.571303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.571303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.571303 (E_RNA) where: Base-Base interactions energy: -1010.354 where: short stacking energy: -410.244 Base-Backbone interact. energy: -1.397 local terms energy: -454.820808 where: bonds (distance) C4'-P energy: -92.538 bonds (distance) P-C4' energy: -83.578 flat angles C4'-P-C4' energy: -104.735 flat angles P-C4'-P energy: -62.993 tors. eta vs tors. theta energy: -110.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1300.394933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.394933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.394933 (E_RNA) where: Base-Base interactions energy: -847.743 where: short stacking energy: -371.289 Base-Backbone interact. energy: 0.460 local terms energy: -453.112102 where: bonds (distance) C4'-P energy: -90.861 bonds (distance) P-C4' energy: -92.614 flat angles C4'-P-C4' energy: -104.692 flat angles P-C4'-P energy: -75.336 tors. eta vs tors. theta energy: -89.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1061.983445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.983445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.983445 (E_RNA) where: Base-Base interactions energy: -652.826 where: short stacking energy: -305.675 Base-Backbone interact. energy: 1.032 local terms energy: -410.189440 where: bonds (distance) C4'-P energy: -104.588 bonds (distance) P-C4' energy: -114.079 flat angles C4'-P-C4' energy: -83.707 flat angles P-C4'-P energy: -51.716 tors. eta vs tors. theta energy: -56.099 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: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -979.792275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.792275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.792275 (E_RNA) where: Base-Base interactions energy: -582.718 where: short stacking energy: -279.104 Base-Backbone interact. energy: -1.848 local terms energy: -395.226363 where: bonds (distance) C4'-P energy: -100.072 bonds (distance) P-C4' energy: -93.426 flat angles C4'-P-C4' energy: -90.870 flat angles P-C4'-P energy: -59.439 tors. eta vs tors. theta energy: -51.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -522.092942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.092942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.092942 (E_RNA) where: Base-Base interactions energy: -252.797 where: short stacking energy: -155.040 Base-Backbone interact. energy: -2.513 local terms energy: -266.782517 where: bonds (distance) C4'-P energy: -67.714 bonds (distance) P-C4' energy: -95.117 flat angles C4'-P-C4' energy: -77.070 flat angles P-C4'-P energy: -45.239 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: 7 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1904.736127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.736127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.736127 (E_RNA) where: Base-Base interactions energy: -1305.941 where: short stacking energy: -579.233 Base-Backbone interact. energy: -3.333 local terms energy: -595.461673 where: bonds (distance) C4'-P energy: -107.722 bonds (distance) P-C4' energy: -99.356 flat angles C4'-P-C4' energy: -126.281 flat angles P-C4'-P energy: -79.454 tors. eta vs tors. theta energy: -182.648 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: 253 Temperature: 0.950000 Total energy: -1828.375201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.375201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.375201 (E_RNA) where: Base-Base interactions energy: -1235.382 where: short stacking energy: -558.045 Base-Backbone interact. energy: -1.500 local terms energy: -591.492705 where: bonds (distance) C4'-P energy: -102.794 bonds (distance) P-C4' energy: -111.320 flat angles C4'-P-C4' energy: -119.842 flat angles P-C4'-P energy: -86.594 tors. eta vs tors. theta energy: -170.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1775.983627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.983627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.983627 (E_RNA) where: Base-Base interactions energy: -1214.518 where: short stacking energy: -544.967 Base-Backbone interact. energy: 6.036 local terms energy: -567.501217 where: bonds (distance) C4'-P energy: -115.658 bonds (distance) P-C4' energy: -104.141 flat angles C4'-P-C4' energy: -117.884 flat angles P-C4'-P energy: -74.286 tors. eta vs tors. theta energy: -155.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1633.543045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.543045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.543045 (E_RNA) where: Base-Base interactions energy: -1113.782 where: short stacking energy: -455.549 Base-Backbone interact. energy: -1.195 local terms energy: -518.566024 where: bonds (distance) C4'-P energy: -102.343 bonds (distance) P-C4' energy: -109.488 flat angles C4'-P-C4' energy: -119.297 flat angles P-C4'-P energy: -61.449 tors. eta vs tors. theta energy: -125.989 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: 1 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1531.778756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.778756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.778756 (E_RNA) where: Base-Base interactions energy: -1037.103 where: short stacking energy: -435.596 Base-Backbone interact. energy: 1.147 local terms energy: -495.823196 where: bonds (distance) C4'-P energy: -101.515 bonds (distance) P-C4' energy: -101.405 flat angles C4'-P-C4' energy: -101.466 flat angles P-C4'-P energy: -74.961 tors. eta vs tors. theta energy: -116.476 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: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1452.145735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.145735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.145735 (E_RNA) where: Base-Base interactions energy: -983.498 where: short stacking energy: -428.030 Base-Backbone interact. energy: 1.957 local terms energy: -470.605350 where: bonds (distance) C4'-P energy: -71.469 bonds (distance) P-C4' energy: -108.216 flat angles C4'-P-C4' energy: -94.910 flat angles P-C4'-P energy: -73.467 tors. eta vs tors. theta energy: -122.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1250.246008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.246008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.246008 (E_RNA) where: Base-Base interactions energy: -839.310 where: short stacking energy: -349.359 Base-Backbone interact. energy: 0.937 local terms energy: -411.873373 where: bonds (distance) C4'-P energy: -94.411 bonds (distance) P-C4' energy: -94.968 flat angles C4'-P-C4' energy: -88.120 flat angles P-C4'-P energy: -59.221 tors. eta vs tors. theta energy: -75.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1098.167321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.167321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.167321 (E_RNA) where: Base-Base interactions energy: -697.944 where: short stacking energy: -309.636 Base-Backbone interact. energy: 12.188 local terms energy: -412.411414 where: bonds (distance) C4'-P energy: -97.091 bonds (distance) P-C4' energy: -103.227 flat angles C4'-P-C4' energy: -95.197 flat angles P-C4'-P energy: -56.521 tors. eta vs tors. theta energy: -60.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -990.318893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.318893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.318893 (E_RNA) where: Base-Base interactions energy: -611.056 where: short stacking energy: -305.221 Base-Backbone interact. energy: -0.981 local terms energy: -378.281377 where: bonds (distance) C4'-P energy: -95.352 bonds (distance) P-C4' energy: -80.264 flat angles C4'-P-C4' energy: -98.769 flat angles P-C4'-P energy: -50.470 tors. eta vs tors. theta energy: -53.427 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: 8 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -539.301144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.301144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.301144 (E_RNA) where: Base-Base interactions energy: -244.380 where: short stacking energy: -164.809 Base-Backbone interact. energy: 1.837 local terms energy: -296.758330 where: bonds (distance) C4'-P energy: -84.711 bonds (distance) P-C4' energy: -95.072 flat angles C4'-P-C4' energy: -78.781 flat angles P-C4'-P energy: -53.907 tors. eta vs tors. theta energy: 15.713 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: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1905.133221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.133221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.133221 (E_RNA) where: Base-Base interactions energy: -1303.457 where: short stacking energy: -585.099 Base-Backbone interact. energy: -1.650 local terms energy: -600.026357 where: bonds (distance) C4'-P energy: -115.728 bonds (distance) P-C4' energy: -104.728 flat angles C4'-P-C4' energy: -125.288 flat angles P-C4'-P energy: -82.610 tors. eta vs tors. theta energy: -171.671 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: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1835.367205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.367205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.367205 (E_RNA) where: Base-Base interactions energy: -1239.867 where: short stacking energy: -560.944 Base-Backbone interact. energy: -1.408 local terms energy: -594.092221 where: bonds (distance) C4'-P energy: -114.043 bonds (distance) P-C4' energy: -105.507 flat angles C4'-P-C4' energy: -120.638 flat angles P-C4'-P energy: -75.077 tors. eta vs tors. theta energy: -178.828 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: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1761.696261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.696261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.696261 (E_RNA) where: Base-Base interactions energy: -1211.459 where: short stacking energy: -530.030 Base-Backbone interact. energy: -0.035 local terms energy: -550.202375 where: bonds (distance) C4'-P energy: -94.112 bonds (distance) P-C4' energy: -101.197 flat angles C4'-P-C4' energy: -119.666 flat angles P-C4'-P energy: -78.831 tors. eta vs tors. theta energy: -156.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1674.680813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.680813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.680813 (E_RNA) where: Base-Base interactions energy: -1139.479 where: short stacking energy: -495.805 Base-Backbone interact. energy: -0.032 local terms energy: -535.170029 where: bonds (distance) C4'-P energy: -104.975 bonds (distance) P-C4' energy: -102.907 flat angles C4'-P-C4' energy: -115.393 flat angles P-C4'-P energy: -75.423 tors. eta vs tors. theta energy: -136.472 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: 1 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1558.762359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.762359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.762359 (E_RNA) where: Base-Base interactions energy: -1057.991 where: short stacking energy: -446.536 Base-Backbone interact. energy: -1.411 local terms energy: -499.360772 where: bonds (distance) C4'-P energy: -97.606 bonds (distance) P-C4' energy: -107.914 flat angles C4'-P-C4' energy: -104.300 flat angles P-C4'-P energy: -73.156 tors. eta vs tors. theta energy: -116.385 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: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1475.258645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.258645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.258645 (E_RNA) where: Base-Base interactions energy: -1018.792 where: short stacking energy: -424.753 Base-Backbone interact. energy: 0.747 local terms energy: -457.213534 where: bonds (distance) C4'-P energy: -77.663 bonds (distance) P-C4' energy: -85.124 flat angles C4'-P-C4' energy: -111.535 flat angles P-C4'-P energy: -77.015 tors. eta vs tors. theta energy: -105.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1286.889878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.889878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.889878 (E_RNA) where: Base-Base interactions energy: -863.434 where: short stacking energy: -383.198 Base-Backbone interact. energy: -3.304 local terms energy: -420.151750 where: bonds (distance) C4'-P energy: -82.870 bonds (distance) P-C4' energy: -79.464 flat angles C4'-P-C4' energy: -100.929 flat angles P-C4'-P energy: -64.463 tors. eta vs tors. theta energy: -92.426 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: 2 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1175.073768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.073768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.073768 (E_RNA) where: Base-Base interactions energy: -753.515 where: short stacking energy: -298.837 Base-Backbone interact. energy: -0.036 local terms energy: -421.522382 where: bonds (distance) C4'-P energy: -100.304 bonds (distance) P-C4' energy: -95.312 flat angles C4'-P-C4' energy: -110.357 flat angles P-C4'-P energy: -42.996 tors. eta vs tors. theta energy: -72.553 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: 9 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -975.629393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.629393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.629393 (E_RNA) where: Base-Base interactions energy: -603.319 where: short stacking energy: -280.328 Base-Backbone interact. energy: 2.771 local terms energy: -375.080789 where: bonds (distance) C4'-P energy: -96.842 bonds (distance) P-C4' energy: -84.791 flat angles C4'-P-C4' energy: -86.027 flat angles P-C4'-P energy: -56.088 tors. eta vs tors. theta energy: -51.332 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: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -529.192502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.192502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.192502 (E_RNA) where: Base-Base interactions energy: -217.519 where: short stacking energy: -126.672 Base-Backbone interact. energy: 0.029 local terms energy: -311.702429 where: bonds (distance) C4'-P energy: -87.747 bonds (distance) P-C4' energy: -85.162 flat angles C4'-P-C4' energy: -81.446 flat angles P-C4'-P energy: -59.818 tors. eta vs tors. theta energy: 2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1890.517129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.517129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.517129 (E_RNA) where: Base-Base interactions energy: -1283.345 where: short stacking energy: -565.845 Base-Backbone interact. energy: -2.771 local terms energy: -604.400713 where: bonds (distance) C4'-P energy: -109.836 bonds (distance) P-C4' energy: -98.624 flat angles C4'-P-C4' energy: -131.109 flat angles P-C4'-P energy: -95.254 tors. eta vs tors. theta energy: -169.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1843.293502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.293502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.293502 (E_RNA) where: Base-Base interactions energy: -1254.955 where: short stacking energy: -554.503 Base-Backbone interact. energy: -4.247 local terms energy: -584.091553 where: bonds (distance) C4'-P energy: -103.455 bonds (distance) P-C4' energy: -109.384 flat angles C4'-P-C4' energy: -119.599 flat angles P-C4'-P energy: -88.052 tors. eta vs tors. theta energy: -163.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1788.889778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.889778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.889778 (E_RNA) where: Base-Base interactions energy: -1221.368 where: short stacking energy: -530.354 Base-Backbone interact. energy: 0.335 local terms energy: -567.856320 where: bonds (distance) C4'-P energy: -114.900 bonds (distance) P-C4' energy: -104.196 flat angles C4'-P-C4' energy: -109.809 flat angles P-C4'-P energy: -77.404 tors. eta vs tors. theta energy: -161.547 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: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1701.880619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.880619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.880619 (E_RNA) where: Base-Base interactions energy: -1166.614 where: short stacking energy: -511.696 Base-Backbone interact. energy: -0.150 local terms energy: -535.116863 where: bonds (distance) C4'-P energy: -97.141 bonds (distance) P-C4' energy: -100.814 flat angles C4'-P-C4' energy: -106.376 flat angles P-C4'-P energy: -75.756 tors. eta vs tors. theta energy: -155.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1549.389316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.389316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.389316 (E_RNA) where: Base-Base interactions energy: -1047.402 where: short stacking energy: -446.353 Base-Backbone interact. energy: -1.278 local terms energy: -500.709356 where: bonds (distance) C4'-P energy: -94.550 bonds (distance) P-C4' energy: -99.305 flat angles C4'-P-C4' energy: -107.796 flat angles P-C4'-P energy: -74.789 tors. eta vs tors. theta energy: -124.270 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: 4 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1483.589604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.589604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.589604 (E_RNA) where: Base-Base interactions energy: -1030.511 where: short stacking energy: -429.416 Base-Backbone interact. energy: 3.730 local terms energy: -456.807951 where: bonds (distance) C4'-P energy: -85.518 bonds (distance) P-C4' energy: -102.802 flat angles C4'-P-C4' energy: -97.013 flat angles P-C4'-P energy: -67.144 tors. eta vs tors. theta energy: -104.332 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: 255 Temperature: 1.200000 Total energy: -1280.442582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.442582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.442582 (E_RNA) where: Base-Base interactions energy: -859.652 where: short stacking energy: -393.721 Base-Backbone interact. energy: -1.007 local terms energy: -419.783529 where: bonds (distance) C4'-P energy: -81.983 bonds (distance) P-C4' energy: -79.790 flat angles C4'-P-C4' energy: -88.954 flat angles P-C4'-P energy: -74.360 tors. eta vs tors. theta energy: -94.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1141.817570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.817570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.817570 (E_RNA) where: Base-Base interactions energy: -751.902 where: short stacking energy: -337.573 Base-Backbone interact. energy: -0.542 local terms energy: -389.374129 where: bonds (distance) C4'-P energy: -83.485 bonds (distance) P-C4' energy: -85.508 flat angles C4'-P-C4' energy: -88.690 flat angles P-C4'-P energy: -66.957 tors. eta vs tors. theta energy: -64.734 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: 255 Temperature: 1.300000 Total energy: -886.386200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.386200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.386200 (E_RNA) where: Base-Base interactions energy: -527.683 where: short stacking energy: -252.100 Base-Backbone interact. energy: 3.978 local terms energy: -362.681397 where: bonds (distance) C4'-P energy: -86.702 bonds (distance) P-C4' energy: -83.713 flat angles C4'-P-C4' energy: -94.649 flat angles P-C4'-P energy: -72.220 tors. eta vs tors. theta energy: -25.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -608.909752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.909752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.909752 (E_RNA) where: Base-Base interactions energy: -276.173 where: short stacking energy: -166.088 Base-Backbone interact. energy: -0.750 local terms energy: -331.987145 where: bonds (distance) C4'-P energy: -93.998 bonds (distance) P-C4' energy: -90.108 flat angles C4'-P-C4' energy: -83.463 flat angles P-C4'-P energy: -64.103 tors. eta vs tors. theta energy: -0.315 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: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1891.170601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.170601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.170601 (E_RNA) where: Base-Base interactions energy: -1280.952 where: short stacking energy: -592.155 Base-Backbone interact. energy: -0.531 local terms energy: -609.688046 where: bonds (distance) C4'-P energy: -105.883 bonds (distance) P-C4' energy: -112.850 flat angles C4'-P-C4' energy: -126.324 flat angles P-C4'-P energy: -84.684 tors. eta vs tors. theta energy: -179.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1833.051390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.051390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.051390 (E_RNA) where: Base-Base interactions energy: -1249.448 where: short stacking energy: -555.894 Base-Backbone interact. energy: -1.262 local terms energy: -582.340418 where: bonds (distance) C4'-P energy: -99.245 bonds (distance) P-C4' energy: -107.958 flat angles C4'-P-C4' energy: -120.167 flat angles P-C4'-P energy: -85.540 tors. eta vs tors. theta energy: -169.430 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: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1774.341926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.341926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.341926 (E_RNA) where: Base-Base interactions energy: -1217.033 where: short stacking energy: -532.278 Base-Backbone interact. energy: -0.710 local terms energy: -556.598716 where: bonds (distance) C4'-P energy: -105.912 bonds (distance) P-C4' energy: -97.982 flat angles C4'-P-C4' energy: -121.732 flat angles P-C4'-P energy: -81.894 tors. eta vs tors. theta energy: -149.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1688.664254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.664254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.664254 (E_RNA) where: Base-Base interactions energy: -1159.186 where: short stacking energy: -505.901 Base-Backbone interact. energy: -1.620 local terms energy: -527.858769 where: bonds (distance) C4'-P energy: -93.251 bonds (distance) P-C4' energy: -103.375 flat angles C4'-P-C4' energy: -114.481 flat angles P-C4'-P energy: -74.113 tors. eta vs tors. theta energy: -142.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1557.597738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.597738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.597738 (E_RNA) where: Base-Base interactions energy: -1075.150 where: short stacking energy: -458.160 Base-Backbone interact. energy: -1.840 local terms energy: -480.607129 where: bonds (distance) C4'-P energy: -100.992 bonds (distance) P-C4' energy: -83.832 flat angles C4'-P-C4' energy: -102.530 flat angles P-C4'-P energy: -68.058 tors. eta vs tors. theta energy: -125.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1530.612364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.612364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.612364 (E_RNA) where: Base-Base interactions energy: -1034.942 where: short stacking energy: -419.049 Base-Backbone interact. energy: -0.244 local terms energy: -495.426980 where: bonds (distance) C4'-P energy: -100.161 bonds (distance) P-C4' energy: -96.272 flat angles C4'-P-C4' energy: -112.801 flat angles P-C4'-P energy: -75.989 tors. eta vs tors. theta energy: -110.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1279.894688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.894688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.894688 (E_RNA) where: Base-Base interactions energy: -855.030 where: short stacking energy: -350.536 Base-Backbone interact. energy: 3.622 local terms energy: -428.486512 where: bonds (distance) C4'-P energy: -82.723 bonds (distance) P-C4' energy: -104.797 flat angles C4'-P-C4' energy: -85.973 flat angles P-C4'-P energy: -71.089 tors. eta vs tors. theta energy: -83.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1224.719540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.719540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.719540 (E_RNA) where: Base-Base interactions energy: -823.016 where: short stacking energy: -368.993 Base-Backbone interact. energy: 8.223 local terms energy: -409.926984 where: bonds (distance) C4'-P energy: -94.400 bonds (distance) P-C4' energy: -76.293 flat angles C4'-P-C4' energy: -97.025 flat angles P-C4'-P energy: -66.617 tors. eta vs tors. theta energy: -75.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -837.899246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.899246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.899246 (E_RNA) where: Base-Base interactions energy: -497.361 where: short stacking energy: -232.083 Base-Backbone interact. energy: -0.011 local terms energy: -340.527088 where: bonds (distance) C4'-P energy: -88.753 bonds (distance) P-C4' energy: -86.545 flat angles C4'-P-C4' energy: -80.115 flat angles P-C4'-P energy: -46.382 tors. eta vs tors. theta energy: -38.733 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: 10, replica: 8 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -635.140313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.140313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.140313 (E_RNA) where: Base-Base interactions energy: -330.496 where: short stacking energy: -188.732 Base-Backbone interact. energy: -0.328 local terms energy: -304.315969 where: bonds (distance) C4'-P energy: -92.622 bonds (distance) P-C4' energy: -97.437 flat angles C4'-P-C4' energy: -69.877 flat angles P-C4'-P energy: -30.574 tors. eta vs tors. theta energy: -13.806 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: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1916.780245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.780245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.780245 (E_RNA) where: Base-Base interactions energy: -1303.920 where: short stacking energy: -580.368 Base-Backbone interact. energy: -1.799 local terms energy: -611.060986 where: bonds (distance) C4'-P energy: -111.759 bonds (distance) P-C4' energy: -116.738 flat angles C4'-P-C4' energy: -124.648 flat angles P-C4'-P energy: -82.908 tors. eta vs tors. theta energy: -175.009 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: 257 Temperature: 0.950000 Total energy: -1830.329065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.329065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.329065 (E_RNA) where: Base-Base interactions energy: -1244.465 where: short stacking energy: -542.550 Base-Backbone interact. energy: 1.057 local terms energy: -586.921492 where: bonds (distance) C4'-P energy: -103.751 bonds (distance) P-C4' energy: -115.170 flat angles C4'-P-C4' energy: -118.583 flat angles P-C4'-P energy: -78.543 tors. eta vs tors. theta energy: -170.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1784.745476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.745476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.745476 (E_RNA) where: Base-Base interactions energy: -1210.106 where: short stacking energy: -522.857 Base-Backbone interact. energy: -0.301 local terms energy: -574.338122 where: bonds (distance) C4'-P energy: -109.754 bonds (distance) P-C4' energy: -115.048 flat angles C4'-P-C4' energy: -114.587 flat angles P-C4'-P energy: -80.370 tors. eta vs tors. theta energy: -154.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1688.343314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.343314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.343314 (E_RNA) where: Base-Base interactions energy: -1139.620 where: short stacking energy: -504.291 Base-Backbone interact. energy: -0.283 local terms energy: -548.440423 where: bonds (distance) C4'-P energy: -93.269 bonds (distance) P-C4' energy: -108.540 flat angles C4'-P-C4' energy: -103.099 flat angles P-C4'-P energy: -89.081 tors. eta vs tors. theta energy: -154.451 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: 1 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1552.653547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.653547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.653547 (E_RNA) where: Base-Base interactions energy: -1049.797 where: short stacking energy: -463.100 Base-Backbone interact. energy: 0.443 local terms energy: -503.298917 where: bonds (distance) C4'-P energy: -91.101 bonds (distance) P-C4' energy: -95.341 flat angles C4'-P-C4' energy: -104.011 flat angles P-C4'-P energy: -74.654 tors. eta vs tors. theta energy: -138.192 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: 6, replica: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1477.515039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.515039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.515039 (E_RNA) where: Base-Base interactions energy: -1017.248 where: short stacking energy: -416.086 Base-Backbone interact. energy: -2.201 local terms energy: -458.066013 where: bonds (distance) C4'-P energy: -91.881 bonds (distance) P-C4' energy: -104.557 flat angles C4'-P-C4' energy: -107.052 flat angles P-C4'-P energy: -55.615 tors. eta vs tors. theta energy: -98.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1315.880419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.880419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.880419 (E_RNA) where: Base-Base interactions energy: -892.485 where: short stacking energy: -402.811 Base-Backbone interact. energy: -1.147 local terms energy: -422.248826 where: bonds (distance) C4'-P energy: -89.130 bonds (distance) P-C4' energy: -84.743 flat angles C4'-P-C4' energy: -97.502 flat angles P-C4'-P energy: -56.866 tors. eta vs tors. theta energy: -94.008 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: 8, replica: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1203.086809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.086809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.086809 (E_RNA) where: Base-Base interactions energy: -754.295 where: short stacking energy: -354.214 Base-Backbone interact. energy: 0.897 local terms energy: -449.688176 where: bonds (distance) C4'-P energy: -92.268 bonds (distance) P-C4' energy: -97.794 flat angles C4'-P-C4' energy: -97.511 flat angles P-C4'-P energy: -58.474 tors. eta vs tors. theta energy: -103.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -904.238027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.238027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.238027 (E_RNA) where: Base-Base interactions energy: -568.812 where: short stacking energy: -289.093 Base-Backbone interact. energy: -1.172 local terms energy: -334.253315 where: bonds (distance) C4'-P energy: -76.513 bonds (distance) P-C4' energy: -79.882 flat angles C4'-P-C4' energy: -77.411 flat angles P-C4'-P energy: -55.402 tors. eta vs tors. theta energy: -45.045 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: 8 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -594.100587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.100587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.100587 (E_RNA) where: Base-Base interactions energy: -300.165 where: short stacking energy: -182.092 Base-Backbone interact. energy: -1.292 local terms energy: -292.642919 where: bonds (distance) C4'-P energy: -76.104 bonds (distance) P-C4' energy: -84.750 flat angles C4'-P-C4' energy: -81.128 flat angles P-C4'-P energy: -36.001 tors. eta vs tors. theta energy: -14.659 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: 1, replica: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1923.230981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.230981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.230981 (E_RNA) where: Base-Base interactions energy: -1324.322 where: short stacking energy: -589.737 Base-Backbone interact. energy: -0.353 local terms energy: -598.555628 where: bonds (distance) C4'-P energy: -103.132 bonds (distance) P-C4' energy: -102.579 flat angles C4'-P-C4' energy: -123.341 flat angles P-C4'-P energy: -88.303 tors. eta vs tors. theta energy: -181.201 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: 258 Temperature: 0.950000 Total energy: -1840.810820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.810820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.810820 (E_RNA) where: Base-Base interactions energy: -1241.844 where: short stacking energy: -552.429 Base-Backbone interact. energy: -0.805 local terms energy: -598.161709 where: bonds (distance) C4'-P energy: -110.521 bonds (distance) P-C4' energy: -115.788 flat angles C4'-P-C4' energy: -123.242 flat angles P-C4'-P energy: -89.784 tors. eta vs tors. theta energy: -158.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1789.721451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.721451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.721451 (E_RNA) where: Base-Base interactions energy: -1236.129 where: short stacking energy: -542.841 Base-Backbone interact. energy: -1.241 local terms energy: -552.350940 where: bonds (distance) C4'-P energy: -99.541 bonds (distance) P-C4' energy: -100.189 flat angles C4'-P-C4' energy: -122.213 flat angles P-C4'-P energy: -69.984 tors. eta vs tors. theta energy: -160.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1684.043200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.043200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.043200 (E_RNA) where: Base-Base interactions energy: -1146.167 where: short stacking energy: -498.022 Base-Backbone interact. energy: 0.538 local terms energy: -538.414026 where: bonds (distance) C4'-P energy: -106.070 bonds (distance) P-C4' energy: -98.930 flat angles C4'-P-C4' energy: -108.482 flat angles P-C4'-P energy: -75.983 tors. eta vs tors. theta energy: -148.949 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: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1543.280278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.280278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.280278 (E_RNA) where: Base-Base interactions energy: -1041.194 where: short stacking energy: -429.817 Base-Backbone interact. energy: 2.663 local terms energy: -504.749045 where: bonds (distance) C4'-P energy: -101.957 bonds (distance) P-C4' energy: -108.488 flat angles C4'-P-C4' energy: -111.859 flat angles P-C4'-P energy: -66.728 tors. eta vs tors. theta energy: -115.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1482.270219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.270219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.270219 (E_RNA) where: Base-Base interactions energy: -987.407 where: short stacking energy: -421.421 Base-Backbone interact. energy: -0.380 local terms energy: -494.483327 where: bonds (distance) C4'-P energy: -104.953 bonds (distance) P-C4' energy: -105.190 flat angles C4'-P-C4' energy: -103.991 flat angles P-C4'-P energy: -71.995 tors. eta vs tors. theta energy: -108.353 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: 258 Temperature: 1.200000 Total energy: -1344.801315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.801315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.801315 (E_RNA) where: Base-Base interactions energy: -881.376 where: short stacking energy: -369.924 Base-Backbone interact. energy: -2.365 local terms energy: -461.060394 where: bonds (distance) C4'-P energy: -108.871 bonds (distance) P-C4' energy: -106.229 flat angles C4'-P-C4' energy: -106.328 flat angles P-C4'-P energy: -58.354 tors. eta vs tors. theta energy: -81.277 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: 2 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1180.706690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.706690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.706690 (E_RNA) where: Base-Base interactions energy: -753.921 where: short stacking energy: -322.311 Base-Backbone interact. energy: -1.401 local terms energy: -425.384643 where: bonds (distance) C4'-P energy: -92.005 bonds (distance) P-C4' energy: -98.792 flat angles C4'-P-C4' energy: -103.297 flat angles P-C4'-P energy: -61.160 tors. eta vs tors. theta energy: -70.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -989.964346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.964346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.964346 (E_RNA) where: Base-Base interactions energy: -586.670 where: short stacking energy: -285.612 Base-Backbone interact. energy: -1.495 local terms energy: -401.799721 where: bonds (distance) C4'-P energy: -97.562 bonds (distance) P-C4' energy: -105.085 flat angles C4'-P-C4' energy: -83.285 flat angles P-C4'-P energy: -58.772 tors. eta vs tors. theta energy: -57.095 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: 10, replica: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -588.583861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.583861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.583861 (E_RNA) where: Base-Base interactions energy: -282.524 where: short stacking energy: -148.348 Base-Backbone interact. energy: -0.076 local terms energy: -305.984072 where: bonds (distance) C4'-P energy: -86.197 bonds (distance) P-C4' energy: -76.163 flat angles C4'-P-C4' energy: -83.424 flat angles P-C4'-P energy: -54.430 tors. eta vs tors. theta energy: -5.770 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: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1931.366102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.366102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.366102 (E_RNA) where: Base-Base interactions energy: -1308.903 where: short stacking energy: -566.683 Base-Backbone interact. energy: -2.194 local terms energy: -620.269710 where: bonds (distance) C4'-P energy: -104.536 bonds (distance) P-C4' energy: -118.926 flat angles C4'-P-C4' energy: -132.341 flat angles P-C4'-P energy: -86.533 tors. eta vs tors. theta energy: -177.933 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: 5 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1836.069760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.069760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.069760 (E_RNA) where: Base-Base interactions energy: -1256.646 where: short stacking energy: -556.236 Base-Backbone interact. energy: -0.778 local terms energy: -578.645774 where: bonds (distance) C4'-P energy: -103.049 bonds (distance) P-C4' energy: -114.844 flat angles C4'-P-C4' energy: -123.713 flat angles P-C4'-P energy: -73.088 tors. eta vs tors. theta energy: -163.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1771.886679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.886679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.886679 (E_RNA) where: Base-Base interactions energy: -1220.053 where: short stacking energy: -541.710 Base-Backbone interact. energy: -1.913 local terms energy: -549.919934 where: bonds (distance) C4'-P energy: -93.349 bonds (distance) P-C4' energy: -100.787 flat angles C4'-P-C4' energy: -119.441 flat angles P-C4'-P energy: -76.924 tors. eta vs tors. theta energy: -159.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1671.364328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.364328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.364328 (E_RNA) where: Base-Base interactions energy: -1146.851 where: short stacking energy: -485.336 Base-Backbone interact. energy: -1.489 local terms energy: -523.024303 where: bonds (distance) C4'-P energy: -98.864 bonds (distance) P-C4' energy: -100.423 flat angles C4'-P-C4' energy: -111.596 flat angles P-C4'-P energy: -75.858 tors. eta vs tors. theta energy: -136.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1534.717414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.717414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.717414 (E_RNA) where: Base-Base interactions energy: -1047.017 where: short stacking energy: -434.704 Base-Backbone interact. energy: -1.410 local terms energy: -486.290386 where: bonds (distance) C4'-P energy: -106.232 bonds (distance) P-C4' energy: -101.899 flat angles C4'-P-C4' energy: -110.137 flat angles P-C4'-P energy: -43.139 tors. eta vs tors. theta energy: -124.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1488.397894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.397894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.397894 (E_RNA) where: Base-Base interactions energy: -1002.154 where: short stacking energy: -439.830 Base-Backbone interact. energy: -5.228 local terms energy: -481.015488 where: bonds (distance) C4'-P energy: -93.178 bonds (distance) P-C4' energy: -101.668 flat angles C4'-P-C4' energy: -117.247 flat angles P-C4'-P energy: -56.728 tors. eta vs tors. theta energy: -112.195 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: 259 Temperature: 1.200000 Total energy: -1298.239002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.239002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.239002 (E_RNA) where: Base-Base interactions energy: -862.086 where: short stacking energy: -371.801 Base-Backbone interact. energy: -1.722 local terms energy: -434.431356 where: bonds (distance) C4'-P energy: -90.985 bonds (distance) P-C4' energy: -97.398 flat angles C4'-P-C4' energy: -87.151 flat angles P-C4'-P energy: -61.232 tors. eta vs tors. theta energy: -97.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1193.997083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.997083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.997083 (E_RNA) where: Base-Base interactions energy: -768.803 where: short stacking energy: -335.785 Base-Backbone interact. energy: -0.103 local terms energy: -425.090847 where: bonds (distance) C4'-P energy: -92.871 bonds (distance) P-C4' energy: -96.127 flat angles C4'-P-C4' energy: -92.818 flat angles P-C4'-P energy: -67.578 tors. eta vs tors. theta energy: -75.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -928.799936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.799936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.799936 (E_RNA) where: Base-Base interactions energy: -576.627 where: short stacking energy: -271.690 Base-Backbone interact. energy: -0.258 local terms energy: -351.915442 where: bonds (distance) C4'-P energy: -98.330 bonds (distance) P-C4' energy: -76.186 flat angles C4'-P-C4' energy: -78.307 flat angles P-C4'-P energy: -51.736 tors. eta vs tors. theta energy: -47.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -563.554378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.554378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.554378 (E_RNA) where: Base-Base interactions energy: -262.075 where: short stacking energy: -154.067 Base-Backbone interact. energy: 0.003 local terms energy: -301.482411 where: bonds (distance) C4'-P energy: -91.749 bonds (distance) P-C4' energy: -94.927 flat angles C4'-P-C4' energy: -72.553 flat angles P-C4'-P energy: -46.605 tors. eta vs tors. theta energy: 4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1905.842976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.842976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.842976 (E_RNA) where: Base-Base interactions energy: -1295.008 where: short stacking energy: -568.588 Base-Backbone interact. energy: -2.624 local terms energy: -608.211020 where: bonds (distance) C4'-P energy: -108.631 bonds (distance) P-C4' energy: -111.641 flat angles C4'-P-C4' energy: -117.985 flat angles P-C4'-P energy: -94.914 tors. eta vs tors. theta energy: -175.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1841.627014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.627014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.627014 (E_RNA) where: Base-Base interactions energy: -1288.721 where: short stacking energy: -556.692 Base-Backbone interact. energy: -4.304 local terms energy: -548.602353 where: bonds (distance) C4'-P energy: -108.711 bonds (distance) P-C4' energy: -77.400 flat angles C4'-P-C4' energy: -120.617 flat angles P-C4'-P energy: -75.951 tors. eta vs tors. theta energy: -165.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1767.345823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.345823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.345823 (E_RNA) where: Base-Base interactions energy: -1222.336 where: short stacking energy: -519.061 Base-Backbone interact. energy: -3.087 local terms energy: -541.922985 where: bonds (distance) C4'-P energy: -103.647 bonds (distance) P-C4' energy: -85.165 flat angles C4'-P-C4' energy: -121.958 flat angles P-C4'-P energy: -77.724 tors. eta vs tors. theta energy: -153.430 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: 4, replica: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1648.280196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.280196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.280196 (E_RNA) where: Base-Base interactions energy: -1139.875 where: short stacking energy: -480.484 Base-Backbone interact. energy: -0.944 local terms energy: -507.461878 where: bonds (distance) C4'-P energy: -100.663 bonds (distance) P-C4' energy: -95.984 flat angles C4'-P-C4' energy: -114.856 flat angles P-C4'-P energy: -70.465 tors. eta vs tors. theta energy: -125.494 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: 1 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1551.374843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.374843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.374843 (E_RNA) where: Base-Base interactions energy: -1079.191 where: short stacking energy: -456.122 Base-Backbone interact. energy: -1.396 local terms energy: -470.787390 where: bonds (distance) C4'-P energy: -101.902 bonds (distance) P-C4' energy: -84.572 flat angles C4'-P-C4' energy: -100.006 flat angles P-C4'-P energy: -65.760 tors. eta vs tors. theta energy: -118.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1448.909637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.909637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.909637 (E_RNA) where: Base-Base interactions energy: -997.240 where: short stacking energy: -417.468 Base-Backbone interact. energy: 1.741 local terms energy: -453.410832 where: bonds (distance) C4'-P energy: -92.721 bonds (distance) P-C4' energy: -87.122 flat angles C4'-P-C4' energy: -114.425 flat angles P-C4'-P energy: -55.936 tors. eta vs tors. theta energy: -103.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1206.577687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.577687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.577687 (E_RNA) where: Base-Base interactions energy: -782.909 where: short stacking energy: -361.163 Base-Backbone interact. energy: -0.197 local terms energy: -423.471093 where: bonds (distance) C4'-P energy: -101.303 bonds (distance) P-C4' energy: -91.436 flat angles C4'-P-C4' energy: -75.104 flat angles P-C4'-P energy: -68.854 tors. eta vs tors. theta energy: -86.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1273.080717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.080717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.080717 (E_RNA) where: Base-Base interactions energy: -846.880 where: short stacking energy: -367.728 Base-Backbone interact. energy: 0.966 local terms energy: -427.167357 where: bonds (distance) C4'-P energy: -88.480 bonds (distance) P-C4' energy: -94.679 flat angles C4'-P-C4' energy: -94.888 flat angles P-C4'-P energy: -60.875 tors. eta vs tors. theta energy: -88.245 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: 9 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -979.312998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.312998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.312998 (E_RNA) where: Base-Base interactions energy: -606.116 where: short stacking energy: -270.858 Base-Backbone interact. energy: -0.318 local terms energy: -372.879016 where: bonds (distance) C4'-P energy: -107.092 bonds (distance) P-C4' energy: -94.782 flat angles C4'-P-C4' energy: -78.901 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: -38.780 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: 8 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -584.108296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.108296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.108296 (E_RNA) where: Base-Base interactions energy: -300.114 where: short stacking energy: -172.315 Base-Backbone interact. energy: -0.424 local terms energy: -283.570679 where: bonds (distance) C4'-P energy: -80.995 bonds (distance) P-C4' energy: -84.614 flat angles C4'-P-C4' energy: -75.427 flat angles P-C4'-P energy: -45.347 tors. eta vs tors. theta energy: 2.811 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: 7 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1898.972555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.972555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.972555 (E_RNA) where: Base-Base interactions energy: -1297.698 where: short stacking energy: -555.694 Base-Backbone interact. energy: -2.175 local terms energy: -599.100039 where: bonds (distance) C4'-P energy: -103.300 bonds (distance) P-C4' energy: -111.404 flat angles C4'-P-C4' energy: -121.381 flat angles P-C4'-P energy: -92.974 tors. eta vs tors. theta energy: -170.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1843.242926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.242926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.242926 (E_RNA) where: Base-Base interactions energy: -1281.229 where: short stacking energy: -542.699 Base-Backbone interact. energy: 0.754 local terms energy: -562.767674 where: bonds (distance) C4'-P energy: -96.973 bonds (distance) P-C4' energy: -97.534 flat angles C4'-P-C4' energy: -122.136 flat angles P-C4'-P energy: -86.786 tors. eta vs tors. theta energy: -159.339 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: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1754.960379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.960379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.960379 (E_RNA) where: Base-Base interactions energy: -1189.052 where: short stacking energy: -537.135 Base-Backbone interact. energy: -3.011 local terms energy: -562.897291 where: bonds (distance) C4'-P energy: -91.014 bonds (distance) P-C4' energy: -113.709 flat angles C4'-P-C4' energy: -119.049 flat angles P-C4'-P energy: -89.845 tors. eta vs tors. theta energy: -149.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1686.971999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.971999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.971999 (E_RNA) where: Base-Base interactions energy: -1152.196 where: short stacking energy: -514.111 Base-Backbone interact. energy: -1.350 local terms energy: -533.426509 where: bonds (distance) C4'-P energy: -84.550 bonds (distance) P-C4' energy: -96.144 flat angles C4'-P-C4' energy: -126.353 flat angles P-C4'-P energy: -85.508 tors. eta vs tors. theta energy: -140.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1592.189537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.189537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.189537 (E_RNA) where: Base-Base interactions energy: -1073.126 where: short stacking energy: -446.975 Base-Backbone interact. energy: -4.597 local terms energy: -514.466640 where: bonds (distance) C4'-P energy: -111.439 bonds (distance) P-C4' energy: -88.282 flat angles C4'-P-C4' energy: -119.039 flat angles P-C4'-P energy: -74.818 tors. eta vs tors. theta energy: -120.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1440.456630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.456630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.456630 (E_RNA) where: Base-Base interactions energy: -993.959 where: short stacking energy: -411.946 Base-Backbone interact. energy: 2.467 local terms energy: -448.963741 where: bonds (distance) C4'-P energy: -89.529 bonds (distance) P-C4' energy: -80.532 flat angles C4'-P-C4' energy: -102.878 flat angles P-C4'-P energy: -62.000 tors. eta vs tors. theta energy: -114.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1232.652219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.652219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.652219 (E_RNA) where: Base-Base interactions energy: -813.096 where: short stacking energy: -375.844 Base-Backbone interact. energy: -0.347 local terms energy: -419.209111 where: bonds (distance) C4'-P energy: -92.934 bonds (distance) P-C4' energy: -65.108 flat angles C4'-P-C4' energy: -94.284 flat angles P-C4'-P energy: -76.343 tors. eta vs tors. theta energy: -90.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1165.882584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.882584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.882584 (E_RNA) where: Base-Base interactions energy: -749.870 where: short stacking energy: -333.656 Base-Backbone interact. energy: 0.992 local terms energy: -417.004575 where: bonds (distance) C4'-P energy: -104.349 bonds (distance) P-C4' energy: -85.322 flat angles C4'-P-C4' energy: -100.564 flat angles P-C4'-P energy: -57.462 tors. eta vs tors. theta energy: -69.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -974.285326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.285326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.285326 (E_RNA) where: Base-Base interactions energy: -614.228 where: short stacking energy: -284.219 Base-Backbone interact. energy: -1.322 local terms energy: -358.735695 where: bonds (distance) C4'-P energy: -89.076 bonds (distance) P-C4' energy: -83.576 flat angles C4'-P-C4' energy: -78.894 flat angles P-C4'-P energy: -49.317 tors. eta vs tors. theta energy: -57.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -590.072029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.072029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.072029 (E_RNA) where: Base-Base interactions energy: -338.978 where: short stacking energy: -189.649 Base-Backbone interact. energy: -1.875 local terms energy: -249.219087 where: bonds (distance) C4'-P energy: -86.416 bonds (distance) P-C4' energy: -74.915 flat angles C4'-P-C4' energy: -68.892 flat angles P-C4'-P energy: -27.009 tors. eta vs tors. theta energy: 8.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1916.851607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.851607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.851607 (E_RNA) where: Base-Base interactions energy: -1304.630 where: short stacking energy: -566.941 Base-Backbone interact. energy: -4.283 local terms energy: -607.938319 where: bonds (distance) C4'-P energy: -121.359 bonds (distance) P-C4' energy: -119.912 flat angles C4'-P-C4' energy: -126.444 flat angles P-C4'-P energy: -82.424 tors. eta vs tors. theta energy: -157.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1848.710800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.710800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.710800 (E_RNA) where: Base-Base interactions energy: -1233.885 where: short stacking energy: -551.783 Base-Backbone interact. energy: -3.545 local terms energy: -611.280760 where: bonds (distance) C4'-P energy: -110.569 bonds (distance) P-C4' energy: -114.825 flat angles C4'-P-C4' energy: -119.907 flat angles P-C4'-P energy: -93.841 tors. eta vs tors. theta energy: -172.139 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: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1806.030166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.030166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.030166 (E_RNA) where: Base-Base interactions energy: -1214.699 where: short stacking energy: -537.768 Base-Backbone interact. energy: -1.738 local terms energy: -589.593595 where: bonds (distance) C4'-P energy: -101.366 bonds (distance) P-C4' energy: -113.162 flat angles C4'-P-C4' energy: -125.211 flat angles P-C4'-P energy: -90.139 tors. eta vs tors. theta energy: -159.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1722.425369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.425369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.425369 (E_RNA) where: Base-Base interactions energy: -1160.586 where: short stacking energy: -506.882 Base-Backbone interact. energy: -2.593 local terms energy: -559.246187 where: bonds (distance) C4'-P energy: -112.421 bonds (distance) P-C4' energy: -109.093 flat angles C4'-P-C4' energy: -117.444 flat angles P-C4'-P energy: -72.336 tors. eta vs tors. theta energy: -147.953 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: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1606.264128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.264128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.264128 (E_RNA) where: Base-Base interactions energy: -1099.994 where: short stacking energy: -459.711 Base-Backbone interact. energy: 0.153 local terms energy: -506.423435 where: bonds (distance) C4'-P energy: -98.593 bonds (distance) P-C4' energy: -111.246 flat angles C4'-P-C4' energy: -112.702 flat angles P-C4'-P energy: -63.235 tors. eta vs tors. theta energy: -120.648 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: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1415.526695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.526695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.526695 (E_RNA) where: Base-Base interactions energy: -963.570 where: short stacking energy: -415.344 Base-Backbone interact. energy: 0.717 local terms energy: -452.673197 where: bonds (distance) C4'-P energy: -100.657 bonds (distance) P-C4' energy: -80.514 flat angles C4'-P-C4' energy: -94.193 flat angles P-C4'-P energy: -72.879 tors. eta vs tors. theta energy: -104.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1336.033678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.033678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.033678 (E_RNA) where: Base-Base interactions energy: -877.684 where: short stacking energy: -385.479 Base-Backbone interact. energy: 0.861 local terms energy: -459.210808 where: bonds (distance) C4'-P energy: -98.548 bonds (distance) P-C4' energy: -105.762 flat angles C4'-P-C4' energy: -92.186 flat angles P-C4'-P energy: -58.646 tors. eta vs tors. theta energy: -104.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1147.247832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.247832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.247832 (E_RNA) where: Base-Base interactions energy: -749.608 where: short stacking energy: -329.833 Base-Backbone interact. energy: 5.092 local terms energy: -402.731510 where: bonds (distance) C4'-P energy: -72.222 bonds (distance) P-C4' energy: -97.952 flat angles C4'-P-C4' energy: -113.080 flat angles P-C4'-P energy: -62.959 tors. eta vs tors. theta energy: -56.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -945.425990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.425990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.425990 (E_RNA) where: Base-Base interactions energy: -587.622 where: short stacking energy: -302.255 Base-Backbone interact. energy: 0.509 local terms energy: -358.312915 where: bonds (distance) C4'-P energy: -74.846 bonds (distance) P-C4' energy: -80.888 flat angles C4'-P-C4' energy: -103.079 flat angles P-C4'-P energy: -41.684 tors. eta vs tors. theta energy: -57.815 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: 10, replica: 8 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -622.283987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.283987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.283987 (E_RNA) where: Base-Base interactions energy: -316.226 where: short stacking energy: -187.740 Base-Backbone interact. energy: -1.678 local terms energy: -304.380037 where: bonds (distance) C4'-P energy: -79.862 bonds (distance) P-C4' energy: -93.963 flat angles C4'-P-C4' energy: -93.123 flat angles P-C4'-P energy: -34.403 tors. eta vs tors. theta energy: -3.029 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: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1914.462669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.462669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.462669 (E_RNA) where: Base-Base interactions energy: -1314.238 where: short stacking energy: -560.744 Base-Backbone interact. energy: 3.634 local terms energy: -603.858165 where: bonds (distance) C4'-P energy: -107.200 bonds (distance) P-C4' energy: -119.548 flat angles C4'-P-C4' energy: -127.735 flat angles P-C4'-P energy: -90.192 tors. eta vs tors. theta energy: -159.183 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: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1867.987715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.987715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.987715 (E_RNA) where: Base-Base interactions energy: -1270.955 where: short stacking energy: -548.197 Base-Backbone interact. energy: -2.944 local terms energy: -594.089298 where: bonds (distance) C4'-P energy: -102.598 bonds (distance) P-C4' energy: -116.819 flat angles C4'-P-C4' energy: -117.112 flat angles P-C4'-P energy: -80.878 tors. eta vs tors. theta energy: -176.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1810.318411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.318411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.318411 (E_RNA) where: Base-Base interactions energy: -1254.494 where: short stacking energy: -556.666 Base-Backbone interact. energy: -3.074 local terms energy: -552.750910 where: bonds (distance) C4'-P energy: -99.483 bonds (distance) P-C4' energy: -92.055 flat angles C4'-P-C4' energy: -119.314 flat angles P-C4'-P energy: -79.389 tors. eta vs tors. theta energy: -162.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1654.762007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.762007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.762007 (E_RNA) where: Base-Base interactions energy: -1102.203 where: short stacking energy: -470.859 Base-Backbone interact. energy: -4.335 local terms energy: -548.224172 where: bonds (distance) C4'-P energy: -111.404 bonds (distance) P-C4' energy: -110.255 flat angles C4'-P-C4' energy: -111.588 flat angles P-C4'-P energy: -82.408 tors. eta vs tors. theta energy: -132.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1632.529917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.529917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.529917 (E_RNA) where: Base-Base interactions energy: -1127.298 where: short stacking energy: -474.781 Base-Backbone interact. energy: -0.459 local terms energy: -504.773467 where: bonds (distance) C4'-P energy: -89.362 bonds (distance) P-C4' energy: -105.727 flat angles C4'-P-C4' energy: -92.876 flat angles P-C4'-P energy: -80.692 tors. eta vs tors. theta energy: -136.117 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: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1431.272937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.272937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.272937 (E_RNA) where: Base-Base interactions energy: -974.305 where: short stacking energy: -396.192 Base-Backbone interact. energy: 1.262 local terms energy: -458.230102 where: bonds (distance) C4'-P energy: -93.613 bonds (distance) P-C4' energy: -110.080 flat angles C4'-P-C4' energy: -100.147 flat angles P-C4'-P energy: -56.916 tors. eta vs tors. theta energy: -97.474 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: 2 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1307.970610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.970610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.970610 (E_RNA) where: Base-Base interactions energy: -847.859 where: short stacking energy: -385.412 Base-Backbone interact. energy: -0.246 local terms energy: -459.865158 where: bonds (distance) C4'-P energy: -80.919 bonds (distance) P-C4' energy: -106.649 flat angles C4'-P-C4' energy: -95.219 flat angles P-C4'-P energy: -75.204 tors. eta vs tors. theta energy: -101.874 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: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1176.042333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.042333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.042333 (E_RNA) where: Base-Base interactions energy: -758.691 where: short stacking energy: -344.421 Base-Backbone interact. energy: -2.262 local terms energy: -415.089742 where: bonds (distance) C4'-P energy: -87.019 bonds (distance) P-C4' energy: -82.593 flat angles C4'-P-C4' energy: -103.343 flat angles P-C4'-P energy: -65.413 tors. eta vs tors. theta energy: -76.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -985.910715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.910715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.910715 (E_RNA) where: Base-Base interactions energy: -611.281 where: short stacking energy: -280.431 Base-Backbone interact. energy: -1.508 local terms energy: -373.121385 where: bonds (distance) C4'-P energy: -89.297 bonds (distance) P-C4' energy: -83.405 flat angles C4'-P-C4' energy: -74.999 flat angles P-C4'-P energy: -61.764 tors. eta vs tors. theta energy: -63.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -557.066918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.066918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.066918 (E_RNA) where: Base-Base interactions energy: -275.806 where: short stacking energy: -167.672 Base-Backbone interact. energy: 0.140 local terms energy: -281.400306 where: bonds (distance) C4'-P energy: -94.658 bonds (distance) P-C4' energy: -102.673 flat angles C4'-P-C4' energy: -59.159 flat angles P-C4'-P energy: -40.601 tors. eta vs tors. theta energy: 15.692 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: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1893.027992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.027992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.027992 (E_RNA) where: Base-Base interactions energy: -1281.396 where: short stacking energy: -555.481 Base-Backbone interact. energy: -1.301 local terms energy: -610.331155 where: bonds (distance) C4'-P energy: -115.420 bonds (distance) P-C4' energy: -119.186 flat angles C4'-P-C4' energy: -121.614 flat angles P-C4'-P energy: -85.025 tors. eta vs tors. theta energy: -169.086 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: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1859.925433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.925433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.925433 (E_RNA) where: Base-Base interactions energy: -1288.691 where: short stacking energy: -546.281 Base-Backbone interact. energy: -1.573 local terms energy: -569.661425 where: bonds (distance) C4'-P energy: -95.024 bonds (distance) P-C4' energy: -109.976 flat angles C4'-P-C4' energy: -123.159 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: -171.492 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: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1786.457142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.457142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.457142 (E_RNA) where: Base-Base interactions energy: -1214.809 where: short stacking energy: -540.031 Base-Backbone interact. energy: -3.068 local terms energy: -568.579747 where: bonds (distance) C4'-P energy: -104.450 bonds (distance) P-C4' energy: -111.190 flat angles C4'-P-C4' energy: -120.550 flat angles P-C4'-P energy: -79.569 tors. eta vs tors. theta energy: -152.821 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: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1677.223894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.223894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.223894 (E_RNA) where: Base-Base interactions energy: -1103.306 where: short stacking energy: -492.862 Base-Backbone interact. energy: -0.864 local terms energy: -573.054226 where: bonds (distance) C4'-P energy: -107.090 bonds (distance) P-C4' energy: -118.239 flat angles C4'-P-C4' energy: -109.230 flat angles P-C4'-P energy: -87.201 tors. eta vs tors. theta energy: -151.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1624.991550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.991550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.991550 (E_RNA) where: Base-Base interactions energy: -1109.804 where: short stacking energy: -488.743 Base-Backbone interact. energy: 0.868 local terms energy: -516.055672 where: bonds (distance) C4'-P energy: -90.794 bonds (distance) P-C4' energy: -105.639 flat angles C4'-P-C4' energy: -106.376 flat angles P-C4'-P energy: -76.103 tors. eta vs tors. theta energy: -137.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1535.021597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.021597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.021597 (E_RNA) where: Base-Base interactions energy: -1043.620 where: short stacking energy: -472.839 Base-Backbone interact. energy: 1.340 local terms energy: -492.741394 where: bonds (distance) C4'-P energy: -96.031 bonds (distance) P-C4' energy: -86.937 flat angles C4'-P-C4' energy: -114.008 flat angles P-C4'-P energy: -69.756 tors. eta vs tors. theta energy: -126.010 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: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1310.265705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.265705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.265705 (E_RNA) where: Base-Base interactions energy: -846.905 where: short stacking energy: -364.633 Base-Backbone interact. energy: 2.226 local terms energy: -465.587257 where: bonds (distance) C4'-P energy: -93.884 bonds (distance) P-C4' energy: -105.205 flat angles C4'-P-C4' energy: -101.431 flat angles P-C4'-P energy: -66.969 tors. eta vs tors. theta energy: -98.099 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: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1164.402117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.402117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.402117 (E_RNA) where: Base-Base interactions energy: -767.070 where: short stacking energy: -334.358 Base-Backbone interact. energy: 0.557 local terms energy: -397.888904 where: bonds (distance) C4'-P energy: -79.270 bonds (distance) P-C4' energy: -100.512 flat angles C4'-P-C4' energy: -76.785 flat angles P-C4'-P energy: -76.119 tors. eta vs tors. theta energy: -65.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -891.027643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.027643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.027643 (E_RNA) where: Base-Base interactions energy: -566.426 where: short stacking energy: -254.277 Base-Backbone interact. energy: 0.038 local terms energy: -324.639595 where: bonds (distance) C4'-P energy: -87.389 bonds (distance) P-C4' energy: -75.036 flat angles C4'-P-C4' energy: -86.851 flat angles P-C4'-P energy: -51.051 tors. eta vs tors. theta energy: -24.312 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: 8 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -589.299446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.299446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.299446 (E_RNA) where: Base-Base interactions energy: -324.069 where: short stacking energy: -180.931 Base-Backbone interact. energy: 1.624 local terms energy: -266.853899 where: bonds (distance) C4'-P energy: -81.392 bonds (distance) P-C4' energy: -75.806 flat angles C4'-P-C4' energy: -70.071 flat angles P-C4'-P energy: -40.551 tors. eta vs tors. theta energy: 0.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1914.025151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.025151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.025151 (E_RNA) where: Base-Base interactions energy: -1307.189 where: short stacking energy: -571.026 Base-Backbone interact. energy: -1.905 local terms energy: -604.930990 where: bonds (distance) C4'-P energy: -108.251 bonds (distance) P-C4' energy: -119.005 flat angles C4'-P-C4' energy: -119.906 flat angles P-C4'-P energy: -81.881 tors. eta vs tors. theta energy: -175.889 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: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1833.552136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.552136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.552136 (E_RNA) where: Base-Base interactions energy: -1267.038 where: short stacking energy: -550.150 Base-Backbone interact. energy: -2.084 local terms energy: -564.429558 where: bonds (distance) C4'-P energy: -90.441 bonds (distance) P-C4' energy: -101.028 flat angles C4'-P-C4' energy: -126.306 flat angles P-C4'-P energy: -82.475 tors. eta vs tors. theta energy: -164.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1776.520827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.520827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.520827 (E_RNA) where: Base-Base interactions energy: -1214.617 where: short stacking energy: -516.268 Base-Backbone interact. energy: -0.996 local terms energy: -560.907742 where: bonds (distance) C4'-P energy: -93.655 bonds (distance) P-C4' energy: -114.765 flat angles C4'-P-C4' energy: -123.347 flat angles P-C4'-P energy: -85.007 tors. eta vs tors. theta energy: -144.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1641.398626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.398626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.398626 (E_RNA) where: Base-Base interactions energy: -1112.855 where: short stacking energy: -476.785 Base-Backbone interact. energy: -1.969 local terms energy: -526.574127 where: bonds (distance) C4'-P energy: -107.649 bonds (distance) P-C4' energy: -98.580 flat angles C4'-P-C4' energy: -119.769 flat angles P-C4'-P energy: -74.796 tors. eta vs tors. theta energy: -125.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1582.225112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.225112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.225112 (E_RNA) where: Base-Base interactions energy: -1050.238 where: short stacking energy: -431.927 Base-Backbone interact. energy: -1.111 local terms energy: -530.875771 where: bonds (distance) C4'-P energy: -99.494 bonds (distance) P-C4' energy: -117.620 flat angles C4'-P-C4' energy: -107.575 flat angles P-C4'-P energy: -73.010 tors. eta vs tors. theta energy: -133.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1478.593885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.593885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.593885 (E_RNA) where: Base-Base interactions energy: -987.841 where: short stacking energy: -426.067 Base-Backbone interact. energy: -1.444 local terms energy: -489.309012 where: bonds (distance) C4'-P energy: -102.604 bonds (distance) P-C4' energy: -111.460 flat angles C4'-P-C4' energy: -105.663 flat angles P-C4'-P energy: -58.391 tors. eta vs tors. theta energy: -111.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1257.777985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.777985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.777985 (E_RNA) where: Base-Base interactions energy: -805.683 where: short stacking energy: -340.137 Base-Backbone interact. energy: 1.697 local terms energy: -453.791688 where: bonds (distance) C4'-P energy: -97.014 bonds (distance) P-C4' energy: -112.171 flat angles C4'-P-C4' energy: -94.531 flat angles P-C4'-P energy: -54.497 tors. eta vs tors. theta energy: -95.579 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: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1145.734112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.734112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.734112 (E_RNA) where: Base-Base interactions energy: -735.687 where: short stacking energy: -333.502 Base-Backbone interact. energy: 3.900 local terms energy: -413.946635 where: bonds (distance) C4'-P energy: -83.887 bonds (distance) P-C4' energy: -103.308 flat angles C4'-P-C4' energy: -99.621 flat angles P-C4'-P energy: -55.409 tors. eta vs tors. theta energy: -71.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -864.943586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.943586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.943586 (E_RNA) where: Base-Base interactions energy: -531.440 where: short stacking energy: -239.221 Base-Backbone interact. energy: 3.039 local terms energy: -336.542900 where: bonds (distance) C4'-P energy: -100.243 bonds (distance) P-C4' energy: -84.820 flat angles C4'-P-C4' energy: -78.453 flat angles P-C4'-P energy: -47.580 tors. eta vs tors. theta energy: -25.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -568.074733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.074733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.074733 (E_RNA) where: Base-Base interactions energy: -319.313 where: short stacking energy: -161.915 Base-Backbone interact. energy: -0.533 local terms energy: -248.228831 where: bonds (distance) C4'-P energy: -60.550 bonds (distance) P-C4' energy: -94.939 flat angles C4'-P-C4' energy: -68.874 flat angles P-C4'-P energy: -36.318 tors. eta vs tors. theta energy: 12.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1902.912290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.912290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.912290 (E_RNA) where: Base-Base interactions energy: -1296.656 where: short stacking energy: -573.341 Base-Backbone interact. energy: -0.498 local terms energy: -605.757911 where: bonds (distance) C4'-P energy: -98.535 bonds (distance) P-C4' energy: -106.781 flat angles C4'-P-C4' energy: -129.378 flat angles P-C4'-P energy: -88.862 tors. eta vs tors. theta energy: -182.203 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: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1837.404095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.404095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.404095 (E_RNA) where: Base-Base interactions energy: -1261.438 where: short stacking energy: -543.922 Base-Backbone interact. energy: -2.186 local terms energy: -573.779925 where: bonds (distance) C4'-P energy: -113.545 bonds (distance) P-C4' energy: -103.716 flat angles C4'-P-C4' energy: -124.284 flat angles P-C4'-P energy: -73.861 tors. eta vs tors. theta energy: -158.373 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: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1792.873761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.873761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.873761 (E_RNA) where: Base-Base interactions energy: -1230.304 where: short stacking energy: -525.226 Base-Backbone interact. energy: -3.449 local terms energy: -559.120995 where: bonds (distance) C4'-P energy: -115.651 bonds (distance) P-C4' energy: -100.016 flat angles C4'-P-C4' energy: -118.364 flat angles P-C4'-P energy: -73.534 tors. eta vs tors. theta energy: -151.556 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: 4, replica: 1 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1651.857034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.857034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.857034 (E_RNA) where: Base-Base interactions energy: -1139.322 where: short stacking energy: -476.874 Base-Backbone interact. energy: 1.099 local terms energy: -513.634203 where: bonds (distance) C4'-P energy: -92.821 bonds (distance) P-C4' energy: -88.845 flat angles C4'-P-C4' energy: -110.487 flat angles P-C4'-P energy: -83.270 tors. eta vs tors. theta energy: -138.211 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: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1593.689939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.689939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.689939 (E_RNA) where: Base-Base interactions energy: -1071.374 where: short stacking energy: -469.349 Base-Backbone interact. energy: 1.523 local terms energy: -523.838451 where: bonds (distance) C4'-P energy: -96.469 bonds (distance) P-C4' energy: -111.908 flat angles C4'-P-C4' energy: -106.173 flat angles P-C4'-P energy: -72.315 tors. eta vs tors. theta energy: -136.975 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: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1491.375303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.375303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.375303 (E_RNA) where: Base-Base interactions energy: -995.918 where: short stacking energy: -435.010 Base-Backbone interact. energy: -1.406 local terms energy: -494.051131 where: bonds (distance) C4'-P energy: -99.913 bonds (distance) P-C4' energy: -110.256 flat angles C4'-P-C4' energy: -104.586 flat angles P-C4'-P energy: -65.481 tors. eta vs tors. theta energy: -113.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1286.160178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.160178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.160178 (E_RNA) where: Base-Base interactions energy: -834.998 where: short stacking energy: -367.269 Base-Backbone interact. energy: -5.527 local terms energy: -445.635259 where: bonds (distance) C4'-P energy: -97.290 bonds (distance) P-C4' energy: -76.243 flat angles C4'-P-C4' energy: -106.275 flat angles P-C4'-P energy: -75.395 tors. eta vs tors. theta energy: -90.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1156.821727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.821727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.821727 (E_RNA) where: Base-Base interactions energy: -748.687 where: short stacking energy: -330.974 Base-Backbone interact. energy: -2.682 local terms energy: -405.452690 where: bonds (distance) C4'-P energy: -86.506 bonds (distance) P-C4' energy: -91.605 flat angles C4'-P-C4' energy: -79.118 flat angles P-C4'-P energy: -71.092 tors. eta vs tors. theta energy: -77.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -886.723854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.723854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.723854 (E_RNA) where: Base-Base interactions energy: -532.807 where: short stacking energy: -247.579 Base-Backbone interact. energy: -1.019 local terms energy: -352.897565 where: bonds (distance) C4'-P energy: -87.488 bonds (distance) P-C4' energy: -89.506 flat angles C4'-P-C4' energy: -90.834 flat angles P-C4'-P energy: -46.455 tors. eta vs tors. theta energy: -38.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -622.058318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.058318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.058318 (E_RNA) where: Base-Base interactions energy: -302.885 where: short stacking energy: -161.687 Base-Backbone interact. energy: 4.353 local terms energy: -323.526847 where: bonds (distance) C4'-P energy: -95.339 bonds (distance) P-C4' energy: -91.806 flat angles C4'-P-C4' energy: -69.388 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -10.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1900.189908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.189908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.189908 (E_RNA) where: Base-Base interactions energy: -1322.563 where: short stacking energy: -577.925 Base-Backbone interact. energy: -1.348 local terms energy: -576.279083 where: bonds (distance) C4'-P energy: -115.926 bonds (distance) P-C4' energy: -103.338 flat angles C4'-P-C4' energy: -117.822 flat angles P-C4'-P energy: -71.809 tors. eta vs tors. theta energy: -167.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1846.642364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.642364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.642364 (E_RNA) where: Base-Base interactions energy: -1259.720 where: short stacking energy: -541.966 Base-Backbone interact. energy: -2.429 local terms energy: -584.493796 where: bonds (distance) C4'-P energy: -110.592 bonds (distance) P-C4' energy: -104.626 flat angles C4'-P-C4' energy: -120.072 flat angles P-C4'-P energy: -88.354 tors. eta vs tors. theta energy: -160.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1788.527467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.527467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.527467 (E_RNA) where: Base-Base interactions energy: -1230.502 where: short stacking energy: -512.296 Base-Backbone interact. energy: -2.748 local terms energy: -555.276998 where: bonds (distance) C4'-P energy: -105.640 bonds (distance) P-C4' energy: -105.115 flat angles C4'-P-C4' energy: -122.822 flat angles P-C4'-P energy: -65.884 tors. eta vs tors. theta energy: -155.815 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: 1 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1661.742963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.742963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.742963 (E_RNA) where: Base-Base interactions energy: -1130.395 where: short stacking energy: -476.261 Base-Backbone interact. energy: -2.503 local terms energy: -528.845507 where: bonds (distance) C4'-P energy: -97.356 bonds (distance) P-C4' energy: -96.553 flat angles C4'-P-C4' energy: -112.423 flat angles P-C4'-P energy: -76.155 tors. eta vs tors. theta energy: -146.359 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: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1587.491531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.491531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.491531 (E_RNA) where: Base-Base interactions energy: -1077.401 where: short stacking energy: -450.524 Base-Backbone interact. energy: -1.192 local terms energy: -508.898177 where: bonds (distance) C4'-P energy: -99.699 bonds (distance) P-C4' energy: -107.101 flat angles C4'-P-C4' energy: -109.130 flat angles P-C4'-P energy: -66.264 tors. eta vs tors. theta energy: -126.703 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: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1489.171600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.171600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.171600 (E_RNA) where: Base-Base interactions energy: -1019.828 where: short stacking energy: -449.040 Base-Backbone interact. energy: 1.377 local terms energy: -470.720006 where: bonds (distance) C4'-P energy: -66.636 bonds (distance) P-C4' energy: -99.704 flat angles C4'-P-C4' energy: -111.270 flat angles P-C4'-P energy: -67.649 tors. eta vs tors. theta energy: -125.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1285.040540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.040540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.040540 (E_RNA) where: Base-Base interactions energy: -841.849 where: short stacking energy: -380.937 Base-Backbone interact. energy: -1.827 local terms energy: -441.364980 where: bonds (distance) C4'-P energy: -98.143 bonds (distance) P-C4' energy: -98.244 flat angles C4'-P-C4' energy: -91.556 flat angles P-C4'-P energy: -62.467 tors. eta vs tors. theta energy: -90.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1149.847281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.847281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.847281 (E_RNA) where: Base-Base interactions energy: -757.598 where: short stacking energy: -312.053 Base-Backbone interact. energy: -1.334 local terms energy: -390.915795 where: bonds (distance) C4'-P energy: -86.800 bonds (distance) P-C4' energy: -86.279 flat angles C4'-P-C4' energy: -82.916 flat angles P-C4'-P energy: -73.346 tors. eta vs tors. theta energy: -61.574 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: 267 Temperature: 1.300000 Total energy: -916.352439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.352439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.352439 (E_RNA) where: Base-Base interactions energy: -546.298 where: short stacking energy: -237.129 Base-Backbone interact. energy: 0.221 local terms energy: -370.275368 where: bonds (distance) C4'-P energy: -92.593 bonds (distance) P-C4' energy: -103.560 flat angles C4'-P-C4' energy: -78.545 flat angles P-C4'-P energy: -58.979 tors. eta vs tors. theta energy: -36.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -547.727939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.727939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.727939 (E_RNA) where: Base-Base interactions energy: -278.448 where: short stacking energy: -166.036 Base-Backbone interact. energy: 2.475 local terms energy: -271.754887 where: bonds (distance) C4'-P energy: -75.164 bonds (distance) P-C4' energy: -73.538 flat angles C4'-P-C4' energy: -82.777 flat angles P-C4'-P energy: -44.747 tors. eta vs tors. theta energy: 4.470 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: 5 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1917.827543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.827543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.827543 (E_RNA) where: Base-Base interactions energy: -1317.415 where: short stacking energy: -572.854 Base-Backbone interact. energy: -2.195 local terms energy: -598.217872 where: bonds (distance) C4'-P energy: -107.935 bonds (distance) P-C4' energy: -109.341 flat angles C4'-P-C4' energy: -125.805 flat angles P-C4'-P energy: -88.345 tors. eta vs tors. theta energy: -166.791 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: 2, replica: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1843.737241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.737241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.737241 (E_RNA) where: Base-Base interactions energy: -1251.051 where: short stacking energy: -541.355 Base-Backbone interact. energy: -4.979 local terms energy: -587.706514 where: bonds (distance) C4'-P energy: -105.011 bonds (distance) P-C4' energy: -107.157 flat angles C4'-P-C4' energy: -123.562 flat angles P-C4'-P energy: -84.232 tors. eta vs tors. theta energy: -167.744 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: 3, replica: 3 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1804.829044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.829044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.829044 (E_RNA) where: Base-Base interactions energy: -1233.508 where: short stacking energy: -520.502 Base-Backbone interact. energy: -4.437 local terms energy: -566.884476 where: bonds (distance) C4'-P energy: -100.444 bonds (distance) P-C4' energy: -108.283 flat angles C4'-P-C4' energy: -120.037 flat angles P-C4'-P energy: -81.707 tors. eta vs tors. theta energy: -156.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1675.274287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.274287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.274287 (E_RNA) where: Base-Base interactions energy: -1158.566 where: short stacking energy: -487.100 Base-Backbone interact. energy: -2.066 local terms energy: -514.642408 where: bonds (distance) C4'-P energy: -89.459 bonds (distance) P-C4' energy: -111.274 flat angles C4'-P-C4' energy: -115.881 flat angles P-C4'-P energy: -65.189 tors. eta vs tors. theta energy: -132.840 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: 10 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1550.353497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.353497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.353497 (E_RNA) where: Base-Base interactions energy: -1041.664 where: short stacking energy: -470.260 Base-Backbone interact. energy: -0.632 local terms energy: -508.058106 where: bonds (distance) C4'-P energy: -107.665 bonds (distance) P-C4' energy: -109.461 flat angles C4'-P-C4' energy: -93.192 flat angles P-C4'-P energy: -69.260 tors. eta vs tors. theta energy: -128.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1437.656946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.656946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.656946 (E_RNA) where: Base-Base interactions energy: -958.617 where: short stacking energy: -387.476 Base-Backbone interact. energy: 0.038 local terms energy: -479.077376 where: bonds (distance) C4'-P energy: -111.433 bonds (distance) P-C4' energy: -107.730 flat angles C4'-P-C4' energy: -99.986 flat angles P-C4'-P energy: -69.235 tors. eta vs tors. theta energy: -90.692 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: 268 Temperature: 1.200000 Total energy: -1275.575997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.575997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.575997 (E_RNA) where: Base-Base interactions energy: -845.234 where: short stacking energy: -362.469 Base-Backbone interact. energy: 2.732 local terms energy: -433.074528 where: bonds (distance) C4'-P energy: -84.415 bonds (distance) P-C4' energy: -89.930 flat angles C4'-P-C4' energy: -108.932 flat angles P-C4'-P energy: -71.405 tors. eta vs tors. theta energy: -78.393 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: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1161.991560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.991560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.991560 (E_RNA) where: Base-Base interactions energy: -769.836 where: short stacking energy: -335.087 Base-Backbone interact. energy: -1.404 local terms energy: -390.752036 where: bonds (distance) C4'-P energy: -75.839 bonds (distance) P-C4' energy: -77.273 flat angles C4'-P-C4' energy: -98.020 flat angles P-C4'-P energy: -58.410 tors. eta vs tors. theta energy: -81.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -876.426934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.426934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.426934 (E_RNA) where: Base-Base interactions energy: -534.653 where: short stacking energy: -241.270 Base-Backbone interact. energy: -2.738 local terms energy: -339.035926 where: bonds (distance) C4'-P energy: -88.773 bonds (distance) P-C4' energy: -87.560 flat angles C4'-P-C4' energy: -96.023 flat angles P-C4'-P energy: -42.040 tors. eta vs tors. theta energy: -24.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -551.119736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.119736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.119736 (E_RNA) where: Base-Base interactions energy: -263.753 where: short stacking energy: -174.810 Base-Backbone interact. energy: -1.786 local terms energy: -285.580342 where: bonds (distance) C4'-P energy: -93.258 bonds (distance) P-C4' energy: -91.975 flat angles C4'-P-C4' energy: -76.840 flat angles P-C4'-P energy: -28.078 tors. eta vs tors. theta energy: 4.571 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: 5 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1905.694575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.694575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.694575 (E_RNA) where: Base-Base interactions energy: -1330.014 where: short stacking energy: -574.876 Base-Backbone interact. energy: -4.489 local terms energy: -571.191178 where: bonds (distance) C4'-P energy: -95.993 bonds (distance) P-C4' energy: -105.752 flat angles C4'-P-C4' energy: -126.535 flat angles P-C4'-P energy: -76.851 tors. eta vs tors. theta energy: -166.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1845.852531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.852531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.852531 (E_RNA) where: Base-Base interactions energy: -1258.595 where: short stacking energy: -541.525 Base-Backbone interact. energy: -3.125 local terms energy: -584.133109 where: bonds (distance) C4'-P energy: -109.016 bonds (distance) P-C4' energy: -121.864 flat angles C4'-P-C4' energy: -116.998 flat angles P-C4'-P energy: -75.418 tors. eta vs tors. theta energy: -160.837 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: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1818.146829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.146829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.146829 (E_RNA) where: Base-Base interactions energy: -1234.673 where: short stacking energy: -539.553 Base-Backbone interact. energy: -3.549 local terms energy: -579.924325 where: bonds (distance) C4'-P energy: -107.988 bonds (distance) P-C4' energy: -104.380 flat angles C4'-P-C4' energy: -120.408 flat angles P-C4'-P energy: -88.001 tors. eta vs tors. theta energy: -159.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1680.438195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.438195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.438195 (E_RNA) where: Base-Base interactions energy: -1169.619 where: short stacking energy: -497.115 Base-Backbone interact. energy: -2.695 local terms energy: -508.124454 where: bonds (distance) C4'-P energy: -92.174 bonds (distance) P-C4' energy: -93.317 flat angles C4'-P-C4' energy: -114.177 flat angles P-C4'-P energy: -68.184 tors. eta vs tors. theta energy: -140.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1598.614991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.614991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.614991 (E_RNA) where: Base-Base interactions energy: -1073.237 where: short stacking energy: -466.113 Base-Backbone interact. energy: 0.948 local terms energy: -526.325692 where: bonds (distance) C4'-P energy: -108.136 bonds (distance) P-C4' energy: -106.777 flat angles C4'-P-C4' energy: -105.052 flat angles P-C4'-P energy: -74.716 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: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1433.526385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.526385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.526385 (E_RNA) where: Base-Base interactions energy: -950.582 where: short stacking energy: -439.827 Base-Backbone interact. energy: 3.317 local terms energy: -486.261735 where: bonds (distance) C4'-P energy: -103.870 bonds (distance) P-C4' energy: -82.851 flat angles C4'-P-C4' energy: -108.179 flat angles P-C4'-P energy: -65.207 tors. eta vs tors. theta energy: -126.155 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: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1274.156363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.156363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.156363 (E_RNA) where: Base-Base interactions energy: -831.465 where: short stacking energy: -361.086 Base-Backbone interact. energy: -1.410 local terms energy: -441.281492 where: bonds (distance) C4'-P energy: -91.131 bonds (distance) P-C4' energy: -97.274 flat angles C4'-P-C4' energy: -99.446 flat angles P-C4'-P energy: -75.607 tors. eta vs tors. theta energy: -77.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1257.329647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.329647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.329647 (E_RNA) where: Base-Base interactions energy: -827.805 where: short stacking energy: -338.057 Base-Backbone interact. energy: -1.764 local terms energy: -427.760657 where: bonds (distance) C4'-P energy: -80.910 bonds (distance) P-C4' energy: -101.215 flat angles C4'-P-C4' energy: -97.216 flat angles P-C4'-P energy: -68.604 tors. eta vs tors. theta energy: -79.815 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: 269 Temperature: 1.300000 Total energy: -891.271444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.271444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.271444 (E_RNA) where: Base-Base interactions energy: -539.393 where: short stacking energy: -243.740 Base-Backbone interact. energy: -1.777 local terms energy: -350.100944 where: bonds (distance) C4'-P energy: -89.015 bonds (distance) P-C4' energy: -101.387 flat angles C4'-P-C4' energy: -86.845 flat angles P-C4'-P energy: -49.117 tors. eta vs tors. theta energy: -23.737 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: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -610.016392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.016392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.016392 (E_RNA) where: Base-Base interactions energy: -315.320 where: short stacking energy: -190.711 Base-Backbone interact. energy: -1.883 local terms energy: -292.813571 where: bonds (distance) C4'-P energy: -94.719 bonds (distance) P-C4' energy: -88.036 flat angles C4'-P-C4' energy: -67.202 flat angles P-C4'-P energy: -39.841 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1906.778431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.778431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.778431 (E_RNA) where: Base-Base interactions energy: -1332.149 where: short stacking energy: -563.161 Base-Backbone interact. energy: -2.959 local terms energy: -571.670753 where: bonds (distance) C4'-P energy: -111.749 bonds (distance) P-C4' energy: -92.167 flat angles C4'-P-C4' energy: -122.166 flat angles P-C4'-P energy: -80.168 tors. eta vs tors. theta energy: -165.421 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: 2, replica: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1848.126363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.126363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.126363 (E_RNA) where: Base-Base interactions energy: -1263.431 where: short stacking energy: -560.945 Base-Backbone interact. energy: -1.578 local terms energy: -583.117215 where: bonds (distance) C4'-P energy: -95.183 bonds (distance) P-C4' energy: -110.976 flat angles C4'-P-C4' energy: -116.709 flat angles P-C4'-P energy: -86.065 tors. eta vs tors. theta energy: -174.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1816.394748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.394748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.394748 (E_RNA) where: Base-Base interactions energy: -1230.181 where: short stacking energy: -543.435 Base-Backbone interact. energy: -0.499 local terms energy: -585.715509 where: bonds (distance) C4'-P energy: -105.201 bonds (distance) P-C4' energy: -118.823 flat angles C4'-P-C4' energy: -112.998 flat angles P-C4'-P energy: -81.943 tors. eta vs tors. theta energy: -166.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1637.090368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.090368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.090368 (E_RNA) where: Base-Base interactions energy: -1118.360 where: short stacking energy: -466.551 Base-Backbone interact. energy: -2.776 local terms energy: -515.955124 where: bonds (distance) C4'-P energy: -105.169 bonds (distance) P-C4' energy: -104.583 flat angles C4'-P-C4' energy: -112.676 flat angles P-C4'-P energy: -69.894 tors. eta vs tors. theta energy: -123.634 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: 5, replica: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1575.337622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.337622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.337622 (E_RNA) where: Base-Base interactions energy: -1078.352 where: short stacking energy: -487.309 Base-Backbone interact. energy: -1.659 local terms energy: -495.326405 where: bonds (distance) C4'-P energy: -98.555 bonds (distance) P-C4' energy: -91.778 flat angles C4'-P-C4' energy: -102.809 flat angles P-C4'-P energy: -67.832 tors. eta vs tors. theta energy: -134.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1431.332773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.332773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.332773 (E_RNA) where: Base-Base interactions energy: -949.416 where: short stacking energy: -372.870 Base-Backbone interact. energy: 5.253 local terms energy: -487.170334 where: bonds (distance) C4'-P energy: -100.192 bonds (distance) P-C4' energy: -97.215 flat angles C4'-P-C4' energy: -106.818 flat angles P-C4'-P energy: -70.467 tors. eta vs tors. theta energy: -112.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1307.846178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.846178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.846178 (E_RNA) where: Base-Base interactions energy: -853.887 where: short stacking energy: -395.696 Base-Backbone interact. energy: -2.436 local terms energy: -451.523049 where: bonds (distance) C4'-P energy: -93.230 bonds (distance) P-C4' energy: -102.132 flat angles C4'-P-C4' energy: -91.426 flat angles P-C4'-P energy: -67.103 tors. eta vs tors. theta energy: -97.632 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: 6 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1204.343056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.343056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.343056 (E_RNA) where: Base-Base interactions energy: -765.594 where: short stacking energy: -328.477 Base-Backbone interact. energy: -2.022 local terms energy: -436.726826 where: bonds (distance) C4'-P energy: -87.346 bonds (distance) P-C4' energy: -86.769 flat angles C4'-P-C4' energy: -105.841 flat angles P-C4'-P energy: -72.332 tors. eta vs tors. theta energy: -84.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -908.654817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.654817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.654817 (E_RNA) where: Base-Base interactions energy: -538.037 where: short stacking energy: -261.877 Base-Backbone interact. energy: 0.531 local terms energy: -371.148795 where: bonds (distance) C4'-P energy: -78.807 bonds (distance) P-C4' energy: -89.322 flat angles C4'-P-C4' energy: -89.233 flat angles P-C4'-P energy: -60.136 tors. eta vs tors. theta energy: -53.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -552.411684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.411684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.411684 (E_RNA) where: Base-Base interactions energy: -276.202 where: short stacking energy: -163.646 Base-Backbone interact. energy: 0.044 local terms energy: -276.253591 where: bonds (distance) C4'-P energy: -71.655 bonds (distance) P-C4' energy: -87.407 flat angles C4'-P-C4' energy: -68.401 flat angles P-C4'-P energy: -38.799 tors. eta vs tors. theta energy: -9.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1891.295926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.295926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.295926 (E_RNA) where: Base-Base interactions energy: -1287.769 where: short stacking energy: -529.275 Base-Backbone interact. energy: -1.951 local terms energy: -601.575317 where: bonds (distance) C4'-P energy: -125.131 bonds (distance) P-C4' energy: -110.319 flat angles C4'-P-C4' energy: -117.907 flat angles P-C4'-P energy: -89.099 tors. eta vs tors. theta energy: -159.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1866.155454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.155454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.155454 (E_RNA) where: Base-Base interactions energy: -1287.881 where: short stacking energy: -559.419 Base-Backbone interact. energy: -2.979 local terms energy: -575.294980 where: bonds (distance) C4'-P energy: -105.310 bonds (distance) P-C4' energy: -93.312 flat angles C4'-P-C4' energy: -121.220 flat angles P-C4'-P energy: -93.399 tors. eta vs tors. theta energy: -162.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1813.841002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.841002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.841002 (E_RNA) where: Base-Base interactions energy: -1239.445 where: short stacking energy: -569.318 Base-Backbone interact. energy: -2.244 local terms energy: -572.152001 where: bonds (distance) C4'-P energy: -98.811 bonds (distance) P-C4' energy: -109.422 flat angles C4'-P-C4' energy: -112.369 flat angles P-C4'-P energy: -84.453 tors. eta vs tors. theta energy: -167.097 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: 1 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1665.298158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.298158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.298158 (E_RNA) where: Base-Base interactions energy: -1121.767 where: short stacking energy: -488.714 Base-Backbone interact. energy: -2.321 local terms energy: -541.209536 where: bonds (distance) C4'-P energy: -106.822 bonds (distance) P-C4' energy: -98.914 flat angles C4'-P-C4' energy: -117.704 flat angles P-C4'-P energy: -69.581 tors. eta vs tors. theta energy: -148.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1570.752221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.752221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.752221 (E_RNA) where: Base-Base interactions energy: -1056.050 where: short stacking energy: -463.292 Base-Backbone interact. energy: -1.839 local terms energy: -512.863527 where: bonds (distance) C4'-P energy: -92.442 bonds (distance) P-C4' energy: -99.870 flat angles C4'-P-C4' energy: -116.999 flat angles P-C4'-P energy: -78.520 tors. eta vs tors. theta energy: -125.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1458.005725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.005725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.005725 (E_RNA) where: Base-Base interactions energy: -972.667 where: short stacking energy: -416.715 Base-Backbone interact. energy: -1.285 local terms energy: -484.054276 where: bonds (distance) C4'-P energy: -104.678 bonds (distance) P-C4' energy: -96.446 flat angles C4'-P-C4' energy: -112.534 flat angles P-C4'-P energy: -62.963 tors. eta vs tors. theta energy: -107.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1299.089846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.089846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.089846 (E_RNA) where: Base-Base interactions energy: -841.780 where: short stacking energy: -380.701 Base-Backbone interact. energy: -1.223 local terms energy: -456.086995 where: bonds (distance) C4'-P energy: -75.252 bonds (distance) P-C4' energy: -104.437 flat angles C4'-P-C4' energy: -101.016 flat angles P-C4'-P energy: -73.656 tors. eta vs tors. theta energy: -101.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1227.086620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.086620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.086620 (E_RNA) where: Base-Base interactions energy: -825.205 where: short stacking energy: -376.738 Base-Backbone interact. energy: -0.697 local terms energy: -401.185203 where: bonds (distance) C4'-P energy: -78.014 bonds (distance) P-C4' energy: -81.999 flat angles C4'-P-C4' energy: -94.145 flat angles P-C4'-P energy: -54.600 tors. eta vs tors. theta energy: -92.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -912.237609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.237609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.237609 (E_RNA) where: Base-Base interactions energy: -552.670 where: short stacking energy: -270.599 Base-Backbone interact. energy: -2.214 local terms energy: -357.352886 where: bonds (distance) C4'-P energy: -81.057 bonds (distance) P-C4' energy: -83.636 flat angles C4'-P-C4' energy: -92.774 flat angles P-C4'-P energy: -57.707 tors. eta vs tors. theta energy: -42.178 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: 10, replica: 8 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -530.893392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.893392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.893392 (E_RNA) where: Base-Base interactions energy: -241.183 where: short stacking energy: -151.102 Base-Backbone interact. energy: -0.206 local terms energy: -289.505188 where: bonds (distance) C4'-P energy: -72.853 bonds (distance) P-C4' energy: -101.386 flat angles C4'-P-C4' energy: -81.082 flat angles P-C4'-P energy: -38.670 tors. eta vs tors. theta energy: 4.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1908.429726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.429726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.429726 (E_RNA) where: Base-Base interactions energy: -1311.054 where: short stacking energy: -570.525 Base-Backbone interact. energy: -2.722 local terms energy: -594.653989 where: bonds (distance) C4'-P energy: -115.821 bonds (distance) P-C4' energy: -104.598 flat angles C4'-P-C4' energy: -124.097 flat angles P-C4'-P energy: -76.024 tors. eta vs tors. theta energy: -174.115 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: 5 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1858.435355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.435355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.435355 (E_RNA) where: Base-Base interactions energy: -1281.422 where: short stacking energy: -555.680 Base-Backbone interact. energy: -0.763 local terms energy: -576.250153 where: bonds (distance) C4'-P energy: -107.028 bonds (distance) P-C4' energy: -107.604 flat angles C4'-P-C4' energy: -110.393 flat angles P-C4'-P energy: -88.731 tors. eta vs tors. theta energy: -162.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1776.081920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.081920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.081920 (E_RNA) where: Base-Base interactions energy: -1191.771 where: short stacking energy: -509.925 Base-Backbone interact. energy: -3.887 local terms energy: -580.424028 where: bonds (distance) C4'-P energy: -104.503 bonds (distance) P-C4' energy: -117.190 flat angles C4'-P-C4' energy: -128.917 flat angles P-C4'-P energy: -71.192 tors. eta vs tors. theta energy: -158.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1661.233069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.233069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.233069 (E_RNA) where: Base-Base interactions energy: -1148.887 where: short stacking energy: -450.050 Base-Backbone interact. energy: -1.950 local terms energy: -510.395713 where: bonds (distance) C4'-P energy: -88.573 bonds (distance) P-C4' energy: -98.712 flat angles C4'-P-C4' energy: -116.138 flat angles P-C4'-P energy: -69.447 tors. eta vs tors. theta energy: -137.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1553.859997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.859997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.859997 (E_RNA) where: Base-Base interactions energy: -1087.205 where: short stacking energy: -477.071 Base-Backbone interact. energy: 0.856 local terms energy: -467.510763 where: bonds (distance) C4'-P energy: -77.842 bonds (distance) P-C4' energy: -83.395 flat angles C4'-P-C4' energy: -114.564 flat angles P-C4'-P energy: -66.718 tors. eta vs tors. theta energy: -124.991 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: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1453.451801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.451801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.451801 (E_RNA) where: Base-Base interactions energy: -977.103 where: short stacking energy: -429.848 Base-Backbone interact. energy: -1.065 local terms energy: -475.283812 where: bonds (distance) C4'-P energy: -90.901 bonds (distance) P-C4' energy: -105.562 flat angles C4'-P-C4' energy: -103.945 flat angles P-C4'-P energy: -60.752 tors. eta vs tors. theta energy: -114.123 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: 272 Temperature: 1.200000 Total energy: -1239.578627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.578627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.578627 (E_RNA) where: Base-Base interactions energy: -804.400 where: short stacking energy: -358.672 Base-Backbone interact. energy: 0.042 local terms energy: -435.220075 where: bonds (distance) C4'-P energy: -82.478 bonds (distance) P-C4' energy: -99.340 flat angles C4'-P-C4' energy: -105.730 flat angles P-C4'-P energy: -54.850 tors. eta vs tors. theta energy: -92.821 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: 2 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1224.967281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.967281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.967281 (E_RNA) where: Base-Base interactions energy: -803.395 where: short stacking energy: -362.106 Base-Backbone interact. energy: 1.459 local terms energy: -423.030899 where: bonds (distance) C4'-P energy: -81.921 bonds (distance) P-C4' energy: -99.615 flat angles C4'-P-C4' energy: -95.269 flat angles P-C4'-P energy: -64.691 tors. eta vs tors. theta energy: -81.534 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: 272 Temperature: 1.300000 Total energy: -933.540586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.540586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.540586 (E_RNA) where: Base-Base interactions energy: -541.885 where: short stacking energy: -253.885 Base-Backbone interact. energy: 1.704 local terms energy: -393.359178 where: bonds (distance) C4'-P energy: -98.293 bonds (distance) P-C4' energy: -86.984 flat angles C4'-P-C4' energy: -98.105 flat angles P-C4'-P energy: -59.306 tors. eta vs tors. theta energy: -50.672 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: 8 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -534.711709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.711709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.711709 (E_RNA) where: Base-Base interactions energy: -259.535 where: short stacking energy: -121.824 Base-Backbone interact. energy: -1.481 local terms energy: -273.695479 where: bonds (distance) C4'-P energy: -77.018 bonds (distance) P-C4' energy: -84.583 flat angles C4'-P-C4' energy: -82.132 flat angles P-C4'-P energy: -57.712 tors. eta vs tors. theta energy: 27.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1917.971658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.971658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.971658 (E_RNA) where: Base-Base interactions energy: -1325.705 where: short stacking energy: -581.703 Base-Backbone interact. energy: -1.471 local terms energy: -590.795587 where: bonds (distance) C4'-P energy: -109.321 bonds (distance) P-C4' energy: -98.003 flat angles C4'-P-C4' energy: -127.377 flat angles P-C4'-P energy: -85.033 tors. eta vs tors. theta energy: -171.062 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: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1855.284427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.284427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.284427 (E_RNA) where: Base-Base interactions energy: -1294.212 where: short stacking energy: -533.962 Base-Backbone interact. energy: -0.601 local terms energy: -560.471660 where: bonds (distance) C4'-P energy: -99.583 bonds (distance) P-C4' energy: -105.197 flat angles C4'-P-C4' energy: -115.580 flat angles P-C4'-P energy: -80.677 tors. eta vs tors. theta energy: -159.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1791.143282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.143282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.143282 (E_RNA) where: Base-Base interactions energy: -1209.205 where: short stacking energy: -522.095 Base-Backbone interact. energy: -4.534 local terms energy: -577.404707 where: bonds (distance) C4'-P energy: -113.520 bonds (distance) P-C4' energy: -96.376 flat angles C4'-P-C4' energy: -123.167 flat angles P-C4'-P energy: -82.815 tors. eta vs tors. theta energy: -161.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1657.945866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.945866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.945866 (E_RNA) where: Base-Base interactions energy: -1122.204 where: short stacking energy: -466.011 Base-Backbone interact. energy: 2.551 local terms energy: -538.292352 where: bonds (distance) C4'-P energy: -104.434 bonds (distance) P-C4' energy: -106.749 flat angles C4'-P-C4' energy: -110.751 flat angles P-C4'-P energy: -77.470 tors. eta vs tors. theta energy: -138.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1599.721543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.721543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.721543 (E_RNA) where: Base-Base interactions energy: -1084.423 where: short stacking energy: -454.375 Base-Backbone interact. energy: -1.791 local terms energy: -513.507811 where: bonds (distance) C4'-P energy: -100.851 bonds (distance) P-C4' energy: -95.254 flat angles C4'-P-C4' energy: -108.990 flat angles P-C4'-P energy: -72.803 tors. eta vs tors. theta energy: -135.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1461.656646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.656646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.656646 (E_RNA) where: Base-Base interactions energy: -988.424 where: short stacking energy: -436.173 Base-Backbone interact. energy: -0.538 local terms energy: -472.693950 where: bonds (distance) C4'-P energy: -93.735 bonds (distance) P-C4' energy: -92.344 flat angles C4'-P-C4' energy: -117.265 flat angles P-C4'-P energy: -70.964 tors. eta vs tors. theta energy: -98.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1269.864773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.864773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.864773 (E_RNA) where: Base-Base interactions energy: -876.160 where: short stacking energy: -354.831 Base-Backbone interact. energy: 0.538 local terms energy: -394.242489 where: bonds (distance) C4'-P energy: -90.281 bonds (distance) P-C4' energy: -85.976 flat angles C4'-P-C4' energy: -76.840 flat angles P-C4'-P energy: -55.697 tors. eta vs tors. theta energy: -85.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1266.764353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.764353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.764353 (E_RNA) where: Base-Base interactions energy: -825.031 where: short stacking energy: -346.030 Base-Backbone interact. energy: -1.074 local terms energy: -440.659060 where: bonds (distance) C4'-P energy: -91.083 bonds (distance) P-C4' energy: -98.961 flat angles C4'-P-C4' energy: -96.671 flat angles P-C4'-P energy: -73.380 tors. eta vs tors. theta energy: -80.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -941.723749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.723749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.723749 (E_RNA) where: Base-Base interactions energy: -577.991 where: short stacking energy: -271.017 Base-Backbone interact. energy: 2.363 local terms energy: -366.095852 where: bonds (distance) C4'-P energy: -87.358 bonds (distance) P-C4' energy: -73.563 flat angles C4'-P-C4' energy: -90.841 flat angles P-C4'-P energy: -64.451 tors. eta vs tors. theta energy: -49.883 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: 10, replica: 8 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -550.351236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.351236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.351236 (E_RNA) where: Base-Base interactions energy: -259.831 where: short stacking energy: -152.686 Base-Backbone interact. energy: 1.846 local terms energy: -292.366234 where: bonds (distance) C4'-P energy: -87.141 bonds (distance) P-C4' energy: -83.162 flat angles C4'-P-C4' energy: -69.635 flat angles P-C4'-P energy: -61.083 tors. eta vs tors. theta energy: 8.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1901.353684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.353684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.353684 (E_RNA) where: Base-Base interactions energy: -1313.785 where: short stacking energy: -559.932 Base-Backbone interact. energy: 2.119 local terms energy: -589.687468 where: bonds (distance) C4'-P energy: -114.105 bonds (distance) P-C4' energy: -107.726 flat angles C4'-P-C4' energy: -119.985 flat angles P-C4'-P energy: -77.710 tors. eta vs tors. theta energy: -170.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1858.429028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.429028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.429028 (E_RNA) where: Base-Base interactions energy: -1285.381 where: short stacking energy: -560.579 Base-Backbone interact. energy: -1.225 local terms energy: -571.823448 where: bonds (distance) C4'-P energy: -99.616 bonds (distance) P-C4' energy: -112.035 flat angles C4'-P-C4' energy: -117.221 flat angles P-C4'-P energy: -78.016 tors. eta vs tors. theta energy: -164.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1796.420761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.420761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.420761 (E_RNA) where: Base-Base interactions energy: -1251.501 where: short stacking energy: -528.711 Base-Backbone interact. energy: -3.094 local terms energy: -541.825578 where: bonds (distance) C4'-P energy: -96.960 bonds (distance) P-C4' energy: -102.370 flat angles C4'-P-C4' energy: -118.097 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -151.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1639.926938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.926938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.926938 (E_RNA) where: Base-Base interactions energy: -1116.308 where: short stacking energy: -485.530 Base-Backbone interact. energy: -0.058 local terms energy: -523.561121 where: bonds (distance) C4'-P energy: -108.257 bonds (distance) P-C4' energy: -95.173 flat angles C4'-P-C4' energy: -107.896 flat angles P-C4'-P energy: -77.863 tors. eta vs tors. theta energy: -134.372 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: 10 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1598.536134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.536134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.536134 (E_RNA) where: Base-Base interactions energy: -1061.369 where: short stacking energy: -470.682 Base-Backbone interact. energy: -1.096 local terms energy: -536.070668 where: bonds (distance) C4'-P energy: -84.170 bonds (distance) P-C4' energy: -113.129 flat angles C4'-P-C4' energy: -120.086 flat angles P-C4'-P energy: -81.215 tors. eta vs tors. theta energy: -137.471 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: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1500.942459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.942459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.942459 (E_RNA) where: Base-Base interactions energy: -1017.615 where: short stacking energy: -451.706 Base-Backbone interact. energy: -2.596 local terms energy: -480.731580 where: bonds (distance) C4'-P energy: -99.652 bonds (distance) P-C4' energy: -95.407 flat angles C4'-P-C4' energy: -104.423 flat angles P-C4'-P energy: -59.356 tors. eta vs tors. theta energy: -121.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1317.437844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.437844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.437844 (E_RNA) where: Base-Base interactions energy: -875.828 where: short stacking energy: -387.513 Base-Backbone interact. energy: -1.477 local terms energy: -440.133117 where: bonds (distance) C4'-P energy: -84.262 bonds (distance) P-C4' energy: -96.384 flat angles C4'-P-C4' energy: -94.909 flat angles P-C4'-P energy: -72.732 tors. eta vs tors. theta energy: -91.845 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: 6 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1200.772604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.772604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.772604 (E_RNA) where: Base-Base interactions energy: -785.726 where: short stacking energy: -351.790 Base-Backbone interact. energy: -2.460 local terms energy: -412.585890 where: bonds (distance) C4'-P energy: -88.227 bonds (distance) P-C4' energy: -82.127 flat angles C4'-P-C4' energy: -101.373 flat angles P-C4'-P energy: -66.084 tors. eta vs tors. theta energy: -74.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -926.326234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.326234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.326234 (E_RNA) where: Base-Base interactions energy: -573.106 where: short stacking energy: -277.517 Base-Backbone interact. energy: -0.422 local terms energy: -352.797525 where: bonds (distance) C4'-P energy: -85.100 bonds (distance) P-C4' energy: -82.105 flat angles C4'-P-C4' energy: -85.154 flat angles P-C4'-P energy: -56.841 tors. eta vs tors. theta energy: -43.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -565.164848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.164848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.164848 (E_RNA) where: Base-Base interactions energy: -257.381 where: short stacking energy: -155.046 Base-Backbone interact. energy: -2.381 local terms energy: -305.402422 where: bonds (distance) C4'-P energy: -94.422 bonds (distance) P-C4' energy: -99.878 flat angles C4'-P-C4' energy: -75.682 flat angles P-C4'-P energy: -39.981 tors. eta vs tors. theta energy: 4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1902.666269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.666269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.666269 (E_RNA) where: Base-Base interactions energy: -1307.650 where: short stacking energy: -551.829 Base-Backbone interact. energy: -1.696 local terms energy: -593.319997 where: bonds (distance) C4'-P energy: -97.747 bonds (distance) P-C4' energy: -116.113 flat angles C4'-P-C4' energy: -125.883 flat angles P-C4'-P energy: -81.411 tors. eta vs tors. theta energy: -172.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1854.336902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.336902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.336902 (E_RNA) where: Base-Base interactions energy: -1281.040 where: short stacking energy: -546.855 Base-Backbone interact. energy: -0.179 local terms energy: -573.118421 where: bonds (distance) C4'-P energy: -96.772 bonds (distance) P-C4' energy: -107.910 flat angles C4'-P-C4' energy: -118.708 flat angles P-C4'-P energy: -85.467 tors. eta vs tors. theta energy: -164.261 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: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1807.301663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.301663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.301663 (E_RNA) where: Base-Base interactions energy: -1239.025 where: short stacking energy: -542.533 Base-Backbone interact. energy: -1.853 local terms energy: -566.424261 where: bonds (distance) C4'-P energy: -80.693 bonds (distance) P-C4' energy: -116.139 flat angles C4'-P-C4' energy: -119.124 flat angles P-C4'-P energy: -84.399 tors. eta vs tors. theta energy: -166.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1652.308859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.308859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.308859 (E_RNA) where: Base-Base interactions energy: -1119.943 where: short stacking energy: -480.608 Base-Backbone interact. energy: -0.706 local terms energy: -531.660061 where: bonds (distance) C4'-P energy: -81.681 bonds (distance) P-C4' energy: -121.111 flat angles C4'-P-C4' energy: -115.710 flat angles P-C4'-P energy: -75.443 tors. eta vs tors. theta energy: -137.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1582.720201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.720201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.720201 (E_RNA) where: Base-Base interactions energy: -1054.579 where: short stacking energy: -464.259 Base-Backbone interact. energy: -1.708 local terms energy: -526.433371 where: bonds (distance) C4'-P energy: -93.069 bonds (distance) P-C4' energy: -107.551 flat angles C4'-P-C4' energy: -118.977 flat angles P-C4'-P energy: -82.852 tors. eta vs tors. theta energy: -123.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1390.089582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.089582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.089582 (E_RNA) where: Base-Base interactions energy: -904.910 where: short stacking energy: -394.754 Base-Backbone interact. energy: -4.564 local terms energy: -480.616283 where: bonds (distance) C4'-P energy: -94.719 bonds (distance) P-C4' energy: -94.842 flat angles C4'-P-C4' energy: -103.594 flat angles P-C4'-P energy: -78.712 tors. eta vs tors. theta energy: -108.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1443.558884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.558884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.558884 (E_RNA) where: Base-Base interactions energy: -974.892 where: short stacking energy: -424.370 Base-Backbone interact. energy: -0.422 local terms energy: -468.244783 where: bonds (distance) C4'-P energy: -103.063 bonds (distance) P-C4' energy: -94.452 flat angles C4'-P-C4' energy: -97.899 flat angles P-C4'-P energy: -60.993 tors. eta vs tors. theta energy: -111.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1174.643917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.643917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.643917 (E_RNA) where: Base-Base interactions energy: -779.370 where: short stacking energy: -329.535 Base-Backbone interact. energy: -1.407 local terms energy: -393.866960 where: bonds (distance) C4'-P energy: -73.104 bonds (distance) P-C4' energy: -107.917 flat angles C4'-P-C4' energy: -91.289 flat angles P-C4'-P energy: -53.682 tors. eta vs tors. theta energy: -67.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -928.697061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.697061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.697061 (E_RNA) where: Base-Base interactions energy: -553.791 where: short stacking energy: -234.739 Base-Backbone interact. energy: -1.920 local terms energy: -372.986790 where: bonds (distance) C4'-P energy: -83.402 bonds (distance) P-C4' energy: -107.200 flat angles C4'-P-C4' energy: -98.671 flat angles P-C4'-P energy: -44.312 tors. eta vs tors. theta energy: -39.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -603.592456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.592456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.592456 (E_RNA) where: Base-Base interactions energy: -287.328 where: short stacking energy: -195.069 Base-Backbone interact. energy: 1.684 local terms energy: -317.949027 where: bonds (distance) C4'-P energy: -93.988 bonds (distance) P-C4' energy: -82.331 flat angles C4'-P-C4' energy: -77.606 flat angles P-C4'-P energy: -51.534 tors. eta vs tors. theta energy: -12.490 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: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1907.649134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.649134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.649134 (E_RNA) where: Base-Base interactions energy: -1317.016 where: short stacking energy: -572.316 Base-Backbone interact. energy: -0.029 local terms energy: -590.604902 where: bonds (distance) C4'-P energy: -107.137 bonds (distance) P-C4' energy: -107.483 flat angles C4'-P-C4' energy: -122.943 flat angles P-C4'-P energy: -80.545 tors. eta vs tors. theta energy: -172.497 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: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1840.917934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.917934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.917934 (E_RNA) where: Base-Base interactions energy: -1248.085 where: short stacking energy: -571.815 Base-Backbone interact. energy: -1.515 local terms energy: -591.317908 where: bonds (distance) C4'-P energy: -102.608 bonds (distance) P-C4' energy: -115.394 flat angles C4'-P-C4' energy: -121.773 flat angles P-C4'-P energy: -83.929 tors. eta vs tors. theta energy: -167.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1832.059920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.059920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.059920 (E_RNA) where: Base-Base interactions energy: -1279.658 where: short stacking energy: -552.853 Base-Backbone interact. energy: -1.923 local terms energy: -550.479277 where: bonds (distance) C4'-P energy: -92.979 bonds (distance) P-C4' energy: -111.500 flat angles C4'-P-C4' energy: -121.165 flat angles P-C4'-P energy: -62.117 tors. eta vs tors. theta energy: -162.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1677.668475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.668475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.668475 (E_RNA) where: Base-Base interactions energy: -1170.440 where: short stacking energy: -501.754 Base-Backbone interact. energy: -3.462 local terms energy: -503.767194 where: bonds (distance) C4'-P energy: -98.277 bonds (distance) P-C4' energy: -98.243 flat angles C4'-P-C4' energy: -114.606 flat angles P-C4'-P energy: -62.575 tors. eta vs tors. theta energy: -130.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1589.761516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.761516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.761516 (E_RNA) where: Base-Base interactions energy: -1046.296 where: short stacking energy: -456.374 Base-Backbone interact. energy: -1.203 local terms energy: -542.262245 where: bonds (distance) C4'-P energy: -98.701 bonds (distance) P-C4' energy: -109.910 flat angles C4'-P-C4' energy: -123.032 flat angles P-C4'-P energy: -78.346 tors. eta vs tors. theta energy: -132.273 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: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1402.479594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.479594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.479594 (E_RNA) where: Base-Base interactions energy: -911.420 where: short stacking energy: -407.482 Base-Backbone interact. energy: -2.489 local terms energy: -488.571347 where: bonds (distance) C4'-P energy: -100.977 bonds (distance) P-C4' energy: -84.990 flat angles C4'-P-C4' energy: -110.791 flat angles P-C4'-P energy: -77.739 tors. eta vs tors. theta energy: -114.075 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: 4 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1417.006844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.006844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.006844 (E_RNA) where: Base-Base interactions energy: -959.505 where: short stacking energy: -411.024 Base-Backbone interact. energy: 1.703 local terms energy: -459.204690 where: bonds (distance) C4'-P energy: -84.222 bonds (distance) P-C4' energy: -96.179 flat angles C4'-P-C4' energy: -88.413 flat angles P-C4'-P energy: -81.706 tors. eta vs tors. theta energy: -108.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1225.534938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.534938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.534938 (E_RNA) where: Base-Base interactions energy: -815.738 where: short stacking energy: -336.110 Base-Backbone interact. energy: 10.187 local terms energy: -419.983370 where: bonds (distance) C4'-P energy: -98.769 bonds (distance) P-C4' energy: -96.378 flat angles C4'-P-C4' energy: -92.409 flat angles P-C4'-P energy: -71.937 tors. eta vs tors. theta energy: -60.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -890.234815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.234815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.234815 (E_RNA) where: Base-Base interactions energy: -517.706 where: short stacking energy: -232.797 Base-Backbone interact. energy: -0.429 local terms energy: -372.100593 where: bonds (distance) C4'-P energy: -95.453 bonds (distance) P-C4' energy: -109.720 flat angles C4'-P-C4' energy: -96.274 flat angles P-C4'-P energy: -49.440 tors. eta vs tors. theta energy: -21.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -523.055052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.055052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.055052 (E_RNA) where: Base-Base interactions energy: -218.849 where: short stacking energy: -143.860 Base-Backbone interact. energy: -1.014 local terms energy: -303.191894 where: bonds (distance) C4'-P energy: -90.471 bonds (distance) P-C4' energy: -96.259 flat angles C4'-P-C4' energy: -73.195 flat angles P-C4'-P energy: -52.768 tors. eta vs tors. theta energy: 9.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1896.563267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.563267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.563267 (E_RNA) where: Base-Base interactions energy: -1295.250 where: short stacking energy: -575.888 Base-Backbone interact. energy: -2.187 local terms energy: -599.126544 where: bonds (distance) C4'-P energy: -105.249 bonds (distance) P-C4' energy: -112.856 flat angles C4'-P-C4' energy: -122.532 flat angles P-C4'-P energy: -83.544 tors. eta vs tors. theta energy: -174.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1860.814249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.814249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.814249 (E_RNA) where: Base-Base interactions energy: -1277.235 where: short stacking energy: -561.481 Base-Backbone interact. energy: -2.227 local terms energy: -581.351403 where: bonds (distance) C4'-P energy: -97.419 bonds (distance) P-C4' energy: -112.206 flat angles C4'-P-C4' energy: -115.913 flat angles P-C4'-P energy: -94.789 tors. eta vs tors. theta energy: -161.024 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: 7 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1767.065095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.065095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.065095 (E_RNA) where: Base-Base interactions energy: -1212.130 where: short stacking energy: -527.286 Base-Backbone interact. energy: 1.063 local terms energy: -555.998646 where: bonds (distance) C4'-P energy: -99.738 bonds (distance) P-C4' energy: -103.044 flat angles C4'-P-C4' energy: -117.509 flat angles P-C4'-P energy: -70.868 tors. eta vs tors. theta energy: -164.839 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: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1630.700586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.700586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.700586 (E_RNA) where: Base-Base interactions energy: -1118.495 where: short stacking energy: -462.938 Base-Backbone interact. energy: -2.816 local terms energy: -509.389362 where: bonds (distance) C4'-P energy: -96.420 bonds (distance) P-C4' energy: -100.055 flat angles C4'-P-C4' energy: -110.192 flat angles P-C4'-P energy: -76.615 tors. eta vs tors. theta energy: -126.107 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: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1580.695030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.695030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.695030 (E_RNA) where: Base-Base interactions energy: -1075.779 where: short stacking energy: -470.684 Base-Backbone interact. energy: 1.172 local terms energy: -506.088078 where: bonds (distance) C4'-P energy: -101.043 bonds (distance) P-C4' energy: -97.333 flat angles C4'-P-C4' energy: -93.885 flat angles P-C4'-P energy: -80.501 tors. eta vs tors. theta energy: -133.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1464.664964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.664964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.664964 (E_RNA) where: Base-Base interactions energy: -994.032 where: short stacking energy: -442.581 Base-Backbone interact. energy: -0.283 local terms energy: -470.350090 where: bonds (distance) C4'-P energy: -98.701 bonds (distance) P-C4' energy: -90.279 flat angles C4'-P-C4' energy: -100.718 flat angles P-C4'-P energy: -69.977 tors. eta vs tors. theta energy: -110.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1365.827040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.827040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.827040 (E_RNA) where: Base-Base interactions energy: -909.783 where: short stacking energy: -390.224 Base-Backbone interact. energy: -0.822 local terms energy: -455.221885 where: bonds (distance) C4'-P energy: -91.814 bonds (distance) P-C4' energy: -95.920 flat angles C4'-P-C4' energy: -95.084 flat angles P-C4'-P energy: -65.817 tors. eta vs tors. theta energy: -106.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1226.453891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.453891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.453891 (E_RNA) where: Base-Base interactions energy: -809.400 where: short stacking energy: -358.893 Base-Backbone interact. energy: -2.842 local terms energy: -414.212067 where: bonds (distance) C4'-P energy: -85.804 bonds (distance) P-C4' energy: -98.344 flat angles C4'-P-C4' energy: -92.495 flat angles P-C4'-P energy: -56.026 tors. eta vs tors. theta energy: -81.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -896.732801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.732801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.732801 (E_RNA) where: Base-Base interactions energy: -550.961 where: short stacking energy: -255.042 Base-Backbone interact. energy: -2.402 local terms energy: -343.369564 where: bonds (distance) C4'-P energy: -77.878 bonds (distance) P-C4' energy: -85.027 flat angles C4'-P-C4' energy: -85.418 flat angles P-C4'-P energy: -64.171 tors. eta vs tors. theta energy: -30.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -556.902000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.902000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.902000 (E_RNA) where: Base-Base interactions energy: -246.428 where: short stacking energy: -145.423 Base-Backbone interact. energy: 1.015 local terms energy: -311.488644 where: bonds (distance) C4'-P energy: -93.615 bonds (distance) P-C4' energy: -87.991 flat angles C4'-P-C4' energy: -68.915 flat angles P-C4'-P energy: -51.674 tors. eta vs tors. theta energy: -9.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1925.576625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.576625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.576625 (E_RNA) where: Base-Base interactions energy: -1330.374 where: short stacking energy: -575.295 Base-Backbone interact. energy: -0.491 local terms energy: -594.711160 where: bonds (distance) C4'-P energy: -109.977 bonds (distance) P-C4' energy: -111.820 flat angles C4'-P-C4' energy: -128.930 flat angles P-C4'-P energy: -82.187 tors. eta vs tors. theta energy: -161.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1877.514464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.514464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.514464 (E_RNA) where: Base-Base interactions energy: -1272.379 where: short stacking energy: -548.480 Base-Backbone interact. energy: -2.584 local terms energy: -602.551397 where: bonds (distance) C4'-P energy: -105.892 bonds (distance) P-C4' energy: -107.738 flat angles C4'-P-C4' energy: -130.851 flat angles P-C4'-P energy: -88.444 tors. eta vs tors. theta energy: -169.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1739.849866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.849866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.849866 (E_RNA) where: Base-Base interactions energy: -1211.141 where: short stacking energy: -546.213 Base-Backbone interact. energy: -2.304 local terms energy: -526.405276 where: bonds (distance) C4'-P energy: -89.416 bonds (distance) P-C4' energy: -99.215 flat angles C4'-P-C4' energy: -113.613 flat angles P-C4'-P energy: -75.358 tors. eta vs tors. theta energy: -148.804 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: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1625.672546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.672546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.672546 (E_RNA) where: Base-Base interactions energy: -1100.169 where: short stacking energy: -456.620 Base-Backbone interact. energy: -2.480 local terms energy: -523.023087 where: bonds (distance) C4'-P energy: -102.373 bonds (distance) P-C4' energy: -100.775 flat angles C4'-P-C4' energy: -109.032 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -136.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1597.221261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.221261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.221261 (E_RNA) where: Base-Base interactions energy: -1067.063 where: short stacking energy: -492.619 Base-Backbone interact. energy: -2.620 local terms energy: -527.538679 where: bonds (distance) C4'-P energy: -107.617 bonds (distance) P-C4' energy: -108.444 flat angles C4'-P-C4' energy: -102.294 flat angles P-C4'-P energy: -79.596 tors. eta vs tors. theta energy: -129.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1467.680778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.680778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.680778 (E_RNA) where: Base-Base interactions energy: -1010.784 where: short stacking energy: -461.195 Base-Backbone interact. energy: -0.445 local terms energy: -456.452671 where: bonds (distance) C4'-P energy: -86.447 bonds (distance) P-C4' energy: -82.979 flat angles C4'-P-C4' energy: -105.999 flat angles P-C4'-P energy: -66.978 tors. eta vs tors. theta energy: -114.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1333.219903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.219903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.219903 (E_RNA) where: Base-Base interactions energy: -877.280 where: short stacking energy: -366.403 Base-Backbone interact. energy: 0.494 local terms energy: -456.434299 where: bonds (distance) C4'-P energy: -91.488 bonds (distance) P-C4' energy: -100.362 flat angles C4'-P-C4' energy: -105.540 flat angles P-C4'-P energy: -71.330 tors. eta vs tors. theta energy: -87.715 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: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1229.003677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.003677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.003677 (E_RNA) where: Base-Base interactions energy: -805.030 where: short stacking energy: -346.042 Base-Backbone interact. energy: -2.867 local terms energy: -421.106082 where: bonds (distance) C4'-P energy: -97.790 bonds (distance) P-C4' energy: -89.192 flat angles C4'-P-C4' energy: -90.545 flat angles P-C4'-P energy: -61.871 tors. eta vs tors. theta energy: -81.707 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: 278 Temperature: 1.300000 Total energy: -939.540222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.540222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.540222 (E_RNA) where: Base-Base interactions energy: -585.071 where: short stacking energy: -273.777 Base-Backbone interact. energy: 2.856 local terms energy: -357.325127 where: bonds (distance) C4'-P energy: -83.669 bonds (distance) P-C4' energy: -89.071 flat angles C4'-P-C4' energy: -93.269 flat angles P-C4'-P energy: -44.454 tors. eta vs tors. theta energy: -46.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -545.088133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.088133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.088133 (E_RNA) where: Base-Base interactions energy: -264.461 where: short stacking energy: -180.388 Base-Backbone interact. energy: -2.011 local terms energy: -278.615245 where: bonds (distance) C4'-P energy: -74.034 bonds (distance) P-C4' energy: -86.261 flat angles C4'-P-C4' energy: -74.734 flat angles P-C4'-P energy: -34.529 tors. eta vs tors. theta energy: -9.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1927.398338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.398338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.398338 (E_RNA) where: Base-Base interactions energy: -1327.024 where: short stacking energy: -574.146 Base-Backbone interact. energy: -4.342 local terms energy: -596.032025 where: bonds (distance) C4'-P energy: -109.181 bonds (distance) P-C4' energy: -100.280 flat angles C4'-P-C4' energy: -131.295 flat angles P-C4'-P energy: -84.708 tors. eta vs tors. theta energy: -170.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1874.786307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.786307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.786307 (E_RNA) where: Base-Base interactions energy: -1294.277 where: short stacking energy: -567.689 Base-Backbone interact. energy: -3.454 local terms energy: -577.055867 where: bonds (distance) C4'-P energy: -101.385 bonds (distance) P-C4' energy: -100.605 flat angles C4'-P-C4' energy: -124.749 flat angles P-C4'-P energy: -74.430 tors. eta vs tors. theta energy: -175.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1775.572280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.572280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.572280 (E_RNA) where: Base-Base interactions energy: -1218.101 where: short stacking energy: -507.077 Base-Backbone interact. energy: -1.654 local terms energy: -555.816920 where: bonds (distance) C4'-P energy: -95.526 bonds (distance) P-C4' energy: -117.020 flat angles C4'-P-C4' energy: -114.401 flat angles P-C4'-P energy: -86.630 tors. eta vs tors. theta energy: -142.240 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: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1702.105010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.105010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.105010 (E_RNA) where: Base-Base interactions energy: -1125.710 where: short stacking energy: -490.394 Base-Backbone interact. energy: -3.809 local terms energy: -572.585967 where: bonds (distance) C4'-P energy: -115.738 bonds (distance) P-C4' energy: -104.206 flat angles C4'-P-C4' energy: -124.198 flat angles P-C4'-P energy: -83.127 tors. eta vs tors. theta energy: -145.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1593.286083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.286083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.286083 (E_RNA) where: Base-Base interactions energy: -1094.353 where: short stacking energy: -461.197 Base-Backbone interact. energy: -1.617 local terms energy: -497.315966 where: bonds (distance) C4'-P energy: -93.861 bonds (distance) P-C4' energy: -102.734 flat angles C4'-P-C4' energy: -111.527 flat angles P-C4'-P energy: -68.404 tors. eta vs tors. theta energy: -120.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1408.538852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.538852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.538852 (E_RNA) where: Base-Base interactions energy: -962.581 where: short stacking energy: -407.079 Base-Backbone interact. energy: 1.652 local terms energy: -447.609181 where: bonds (distance) C4'-P energy: -78.021 bonds (distance) P-C4' energy: -103.271 flat angles C4'-P-C4' energy: -109.703 flat angles P-C4'-P energy: -62.093 tors. eta vs tors. theta energy: -94.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1351.033661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.033661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.033661 (E_RNA) where: Base-Base interactions energy: -908.411 where: short stacking energy: -401.415 Base-Backbone interact. energy: -1.741 local terms energy: -440.882110 where: bonds (distance) C4'-P energy: -67.556 bonds (distance) P-C4' energy: -97.246 flat angles C4'-P-C4' energy: -111.016 flat angles P-C4'-P energy: -60.337 tors. eta vs tors. theta energy: -104.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1231.459083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.459083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.459083 (E_RNA) where: Base-Base interactions energy: -813.067 where: short stacking energy: -352.457 Base-Backbone interact. energy: -1.431 local terms energy: -416.961307 where: bonds (distance) C4'-P energy: -80.626 bonds (distance) P-C4' energy: -101.710 flat angles C4'-P-C4' energy: -100.100 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: -81.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -983.235465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.235465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.235465 (E_RNA) where: Base-Base interactions energy: -580.159 where: short stacking energy: -262.802 Base-Backbone interact. energy: 0.966 local terms energy: -404.042166 where: bonds (distance) C4'-P energy: -82.882 bonds (distance) P-C4' energy: -105.024 flat angles C4'-P-C4' energy: -81.293 flat angles P-C4'-P energy: -75.708 tors. eta vs tors. theta energy: -59.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -510.664850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.664850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.664850 (E_RNA) where: Base-Base interactions energy: -237.097 where: short stacking energy: -144.707 Base-Backbone interact. energy: -1.053 local terms energy: -272.515347 where: bonds (distance) C4'-P energy: -83.336 bonds (distance) P-C4' energy: -82.241 flat angles C4'-P-C4' energy: -72.643 flat angles P-C4'-P energy: -45.234 tors. eta vs tors. theta energy: 10.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1893.704222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.704222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.704222 (E_RNA) where: Base-Base interactions energy: -1287.691 where: short stacking energy: -565.629 Base-Backbone interact. energy: -1.735 local terms energy: -604.278421 where: bonds (distance) C4'-P energy: -111.988 bonds (distance) P-C4' energy: -116.750 flat angles C4'-P-C4' energy: -112.333 flat angles P-C4'-P energy: -85.452 tors. eta vs tors. theta energy: -177.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1888.201207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.201207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.201207 (E_RNA) where: Base-Base interactions energy: -1299.360 where: short stacking energy: -554.720 Base-Backbone interact. energy: 0.430 local terms energy: -589.271793 where: bonds (distance) C4'-P energy: -100.757 bonds (distance) P-C4' energy: -101.591 flat angles C4'-P-C4' energy: -130.814 flat angles P-C4'-P energy: -79.778 tors. eta vs tors. theta energy: -176.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1751.498070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.498070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.498070 (E_RNA) where: Base-Base interactions energy: -1188.749 where: short stacking energy: -502.075 Base-Backbone interact. energy: -0.668 local terms energy: -562.080528 where: bonds (distance) C4'-P energy: -116.001 bonds (distance) P-C4' energy: -96.687 flat angles C4'-P-C4' energy: -118.975 flat angles P-C4'-P energy: -82.709 tors. eta vs tors. theta energy: -147.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1663.743528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.743528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.743528 (E_RNA) where: Base-Base interactions energy: -1146.616 where: short stacking energy: -485.230 Base-Backbone interact. energy: -0.639 local terms energy: -516.487872 where: bonds (distance) C4'-P energy: -107.425 bonds (distance) P-C4' energy: -102.052 flat angles C4'-P-C4' energy: -113.305 flat angles P-C4'-P energy: -61.433 tors. eta vs tors. theta energy: -132.273 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: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1613.856254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.856254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.856254 (E_RNA) where: Base-Base interactions energy: -1086.489 where: short stacking energy: -461.628 Base-Backbone interact. energy: 1.626 local terms energy: -528.993327 where: bonds (distance) C4'-P energy: -107.189 bonds (distance) P-C4' energy: -87.908 flat angles C4'-P-C4' energy: -125.623 flat angles P-C4'-P energy: -71.439 tors. eta vs tors. theta energy: -136.834 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: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1473.643591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.643591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.643591 (E_RNA) where: Base-Base interactions energy: -1001.246 where: short stacking energy: -424.254 Base-Backbone interact. energy: 0.089 local terms energy: -472.486158 where: bonds (distance) C4'-P energy: -96.781 bonds (distance) P-C4' energy: -90.530 flat angles C4'-P-C4' energy: -101.628 flat angles P-C4'-P energy: -70.162 tors. eta vs tors. theta energy: -113.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1320.198108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.198108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.198108 (E_RNA) where: Base-Base interactions energy: -880.164 where: short stacking energy: -386.838 Base-Backbone interact. energy: 3.578 local terms energy: -443.612058 where: bonds (distance) C4'-P energy: -81.889 bonds (distance) P-C4' energy: -87.229 flat angles C4'-P-C4' energy: -106.016 flat angles P-C4'-P energy: -65.339 tors. eta vs tors. theta energy: -103.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1209.945526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.945526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.945526 (E_RNA) where: Base-Base interactions energy: -781.402 where: short stacking energy: -322.919 Base-Backbone interact. energy: -1.396 local terms energy: -427.147544 where: bonds (distance) C4'-P energy: -93.716 bonds (distance) P-C4' energy: -89.359 flat angles C4'-P-C4' energy: -87.464 flat angles P-C4'-P energy: -67.347 tors. eta vs tors. theta energy: -89.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -944.752410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.752410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.752410 (E_RNA) where: Base-Base interactions energy: -576.398 where: short stacking energy: -281.313 Base-Backbone interact. energy: 0.592 local terms energy: -368.946372 where: bonds (distance) C4'-P energy: -78.506 bonds (distance) P-C4' energy: -95.640 flat angles C4'-P-C4' energy: -87.652 flat angles P-C4'-P energy: -55.112 tors. eta vs tors. theta energy: -52.035 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: 10, replica: 8 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -496.461196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.461196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.461196 (E_RNA) where: Base-Base interactions energy: -237.046 where: short stacking energy: -174.626 Base-Backbone interact. energy: 1.699 local terms energy: -261.114725 where: bonds (distance) C4'-P energy: -70.746 bonds (distance) P-C4' energy: -85.661 flat angles C4'-P-C4' energy: -80.727 flat angles P-C4'-P energy: -31.157 tors. eta vs tors. theta energy: 7.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1889.132129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.132129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.132129 (E_RNA) where: Base-Base interactions energy: -1275.483 where: short stacking energy: -561.939 Base-Backbone interact. energy: 0.676 local terms energy: -614.325040 where: bonds (distance) C4'-P energy: -121.699 bonds (distance) P-C4' energy: -100.343 flat angles C4'-P-C4' energy: -127.009 flat angles P-C4'-P energy: -89.394 tors. eta vs tors. theta energy: -175.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1894.557483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.557483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.557483 (E_RNA) where: Base-Base interactions energy: -1302.207 where: short stacking energy: -554.549 Base-Backbone interact. energy: 0.444 local terms energy: -592.794676 where: bonds (distance) C4'-P energy: -102.011 bonds (distance) P-C4' energy: -115.292 flat angles C4'-P-C4' energy: -121.288 flat angles P-C4'-P energy: -79.382 tors. eta vs tors. theta energy: -174.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1791.450192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.450192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.450192 (E_RNA) where: Base-Base interactions energy: -1196.676 where: short stacking energy: -520.643 Base-Backbone interact. energy: -3.668 local terms energy: -591.106165 where: bonds (distance) C4'-P energy: -112.449 bonds (distance) P-C4' energy: -108.947 flat angles C4'-P-C4' energy: -124.899 flat angles P-C4'-P energy: -80.404 tors. eta vs tors. theta energy: -164.406 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: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1678.038146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.038146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.038146 (E_RNA) where: Base-Base interactions energy: -1144.837 where: short stacking energy: -491.152 Base-Backbone interact. energy: -4.395 local terms energy: -528.806049 where: bonds (distance) C4'-P energy: -107.506 bonds (distance) P-C4' energy: -86.351 flat angles C4'-P-C4' energy: -119.781 flat angles P-C4'-P energy: -81.814 tors. eta vs tors. theta energy: -133.354 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: 1 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1613.263899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.263899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.263899 (E_RNA) where: Base-Base interactions energy: -1091.596 where: short stacking energy: -453.875 Base-Backbone interact. energy: -2.803 local terms energy: -518.864530 where: bonds (distance) C4'-P energy: -110.081 bonds (distance) P-C4' energy: -98.460 flat angles C4'-P-C4' energy: -123.563 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -123.610 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: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1478.367117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.367117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.367117 (E_RNA) where: Base-Base interactions energy: -1003.088 where: short stacking energy: -427.621 Base-Backbone interact. energy: 1.227 local terms energy: -476.505984 where: bonds (distance) C4'-P energy: -95.951 bonds (distance) P-C4' energy: -99.762 flat angles C4'-P-C4' energy: -111.193 flat angles P-C4'-P energy: -60.777 tors. eta vs tors. theta energy: -108.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1319.746612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.746612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.746612 (E_RNA) where: Base-Base interactions energy: -863.263 where: short stacking energy: -403.275 Base-Backbone interact. energy: 2.661 local terms energy: -459.144289 where: bonds (distance) C4'-P energy: -99.667 bonds (distance) P-C4' energy: -89.199 flat angles C4'-P-C4' energy: -103.026 flat angles P-C4'-P energy: -57.041 tors. eta vs tors. theta energy: -110.211 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: 8, replica: 6 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1202.612677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.612677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.612677 (E_RNA) where: Base-Base interactions energy: -803.770 where: short stacking energy: -332.134 Base-Backbone interact. energy: -1.918 local terms energy: -396.925343 where: bonds (distance) C4'-P energy: -72.219 bonds (distance) P-C4' energy: -79.293 flat angles C4'-P-C4' energy: -98.292 flat angles P-C4'-P energy: -63.513 tors. eta vs tors. theta energy: -83.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -886.666234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.666234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.666234 (E_RNA) where: Base-Base interactions energy: -532.295 where: short stacking energy: -247.582 Base-Backbone interact. energy: -2.180 local terms energy: -352.190813 where: bonds (distance) C4'-P energy: -82.210 bonds (distance) P-C4' energy: -89.879 flat angles C4'-P-C4' energy: -80.225 flat angles P-C4'-P energy: -59.999 tors. eta vs tors. theta energy: -39.878 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: 8 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -505.497343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.497343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.497343 (E_RNA) where: Base-Base interactions energy: -206.344 where: short stacking energy: -152.031 Base-Backbone interact. energy: -0.620 local terms energy: -298.533671 where: bonds (distance) C4'-P energy: -80.706 bonds (distance) P-C4' energy: -86.377 flat angles C4'-P-C4' energy: -81.872 flat angles P-C4'-P energy: -43.287 tors. eta vs tors. theta energy: -6.291 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: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1914.336604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.336604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.336604 (E_RNA) where: Base-Base interactions energy: -1301.053 where: short stacking energy: -558.520 Base-Backbone interact. energy: -4.277 local terms energy: -609.006733 where: bonds (distance) C4'-P energy: -115.692 bonds (distance) P-C4' energy: -112.143 flat angles C4'-P-C4' energy: -123.809 flat angles P-C4'-P energy: -88.994 tors. eta vs tors. theta energy: -168.370 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: 3 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1856.706272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.706272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.706272 (E_RNA) where: Base-Base interactions energy: -1273.390 where: short stacking energy: -563.274 Base-Backbone interact. energy: -4.252 local terms energy: -579.064104 where: bonds (distance) C4'-P energy: -101.701 bonds (distance) P-C4' energy: -106.405 flat angles C4'-P-C4' energy: -121.100 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -176.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1798.514959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.514959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.514959 (E_RNA) where: Base-Base interactions energy: -1247.063 where: short stacking energy: -547.435 Base-Backbone interact. energy: -1.611 local terms energy: -549.840823 where: bonds (distance) C4'-P energy: -107.120 bonds (distance) P-C4' energy: -82.238 flat angles C4'-P-C4' energy: -121.766 flat angles P-C4'-P energy: -79.784 tors. eta vs tors. theta energy: -158.933 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: 10 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1650.113077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.113077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.113077 (E_RNA) where: Base-Base interactions energy: -1113.810 where: short stacking energy: -524.447 Base-Backbone interact. energy: -0.232 local terms energy: -536.070915 where: bonds (distance) C4'-P energy: -87.823 bonds (distance) P-C4' energy: -94.571 flat angles C4'-P-C4' energy: -113.600 flat angles P-C4'-P energy: -84.983 tors. eta vs tors. theta energy: -155.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1626.706366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.706366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.706366 (E_RNA) where: Base-Base interactions energy: -1113.247 where: short stacking energy: -478.934 Base-Backbone interact. energy: -0.133 local terms energy: -513.326649 where: bonds (distance) C4'-P energy: -98.869 bonds (distance) P-C4' energy: -113.219 flat angles C4'-P-C4' energy: -100.893 flat angles P-C4'-P energy: -64.141 tors. eta vs tors. theta energy: -136.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1437.517026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.517026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.517026 (E_RNA) where: Base-Base interactions energy: -947.960 where: short stacking energy: -394.502 Base-Backbone interact. energy: -0.777 local terms energy: -488.780204 where: bonds (distance) C4'-P energy: -99.844 bonds (distance) P-C4' energy: -101.288 flat angles C4'-P-C4' energy: -100.935 flat angles P-C4'-P energy: -84.064 tors. eta vs tors. theta energy: -102.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1345.218095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.218095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.218095 (E_RNA) where: Base-Base interactions energy: -902.396 where: short stacking energy: -409.586 Base-Backbone interact. energy: 0.364 local terms energy: -443.185484 where: bonds (distance) C4'-P energy: -89.937 bonds (distance) P-C4' energy: -100.845 flat angles C4'-P-C4' energy: -99.980 flat angles P-C4'-P energy: -57.347 tors. eta vs tors. theta energy: -95.077 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: 8, replica: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1215.407649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.407649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.407649 (E_RNA) where: Base-Base interactions energy: -792.384 where: short stacking energy: -339.594 Base-Backbone interact. energy: -2.757 local terms energy: -420.267004 where: bonds (distance) C4'-P energy: -92.671 bonds (distance) P-C4' energy: -98.674 flat angles C4'-P-C4' energy: -96.692 flat angles P-C4'-P energy: -53.127 tors. eta vs tors. theta energy: -79.101 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: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -911.851836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.851836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.851836 (E_RNA) where: Base-Base interactions energy: -530.952 where: short stacking energy: -275.037 Base-Backbone interact. energy: 1.274 local terms energy: -382.173409 where: bonds (distance) C4'-P energy: -87.105 bonds (distance) P-C4' energy: -101.723 flat angles C4'-P-C4' energy: -92.991 flat angles P-C4'-P energy: -58.175 tors. eta vs tors. theta energy: -42.178 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: 10, replica: 8 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -437.046315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.046315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.046315 (E_RNA) where: Base-Base interactions energy: -165.074 where: short stacking energy: -120.556 Base-Backbone interact. energy: 0.988 local terms energy: -272.960395 where: bonds (distance) C4'-P energy: -73.599 bonds (distance) P-C4' energy: -73.497 flat angles C4'-P-C4' energy: -88.854 flat angles P-C4'-P energy: -48.156 tors. eta vs tors. theta energy: 11.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1934.534569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.534569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.534569 (E_RNA) where: Base-Base interactions energy: -1326.508 where: short stacking energy: -560.397 Base-Backbone interact. energy: -2.256 local terms energy: -605.770123 where: bonds (distance) C4'-P energy: -103.434 bonds (distance) P-C4' energy: -117.552 flat angles C4'-P-C4' energy: -131.731 flat angles P-C4'-P energy: -82.040 tors. eta vs tors. theta energy: -171.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1877.464140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.464140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.464140 (E_RNA) where: Base-Base interactions energy: -1275.142 where: short stacking energy: -570.432 Base-Backbone interact. energy: -2.189 local terms energy: -600.132822 where: bonds (distance) C4'-P energy: -101.262 bonds (distance) P-C4' energy: -119.611 flat angles C4'-P-C4' energy: -119.645 flat angles P-C4'-P energy: -88.150 tors. eta vs tors. theta energy: -171.465 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: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1778.693768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.693768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.693768 (E_RNA) where: Base-Base interactions energy: -1198.831 where: short stacking energy: -523.250 Base-Backbone interact. energy: -0.513 local terms energy: -579.348987 where: bonds (distance) C4'-P energy: -103.182 bonds (distance) P-C4' energy: -107.056 flat angles C4'-P-C4' energy: -121.524 flat angles P-C4'-P energy: -89.826 tors. eta vs tors. theta energy: -157.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1608.391470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.391470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.391470 (E_RNA) where: Base-Base interactions energy: -1101.526 where: short stacking energy: -484.598 Base-Backbone interact. energy: -1.204 local terms energy: -505.660948 where: bonds (distance) C4'-P energy: -91.683 bonds (distance) P-C4' energy: -100.260 flat angles C4'-P-C4' energy: -112.620 flat angles P-C4'-P energy: -78.541 tors. eta vs tors. theta energy: -122.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1591.564541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.564541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.564541 (E_RNA) where: Base-Base interactions energy: -1079.243 where: short stacking energy: -484.301 Base-Backbone interact. energy: -0.585 local terms energy: -511.736946 where: bonds (distance) C4'-P energy: -110.127 bonds (distance) P-C4' energy: -90.090 flat angles C4'-P-C4' energy: -116.999 flat angles P-C4'-P energy: -56.025 tors. eta vs tors. theta energy: -138.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1449.126783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.126783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.126783 (E_RNA) where: Base-Base interactions energy: -992.009 where: short stacking energy: -389.448 Base-Backbone interact. energy: -2.049 local terms energy: -455.068891 where: bonds (distance) C4'-P energy: -95.402 bonds (distance) P-C4' energy: -98.534 flat angles C4'-P-C4' energy: -97.379 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: -101.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1318.072237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.072237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.072237 (E_RNA) where: Base-Base interactions energy: -918.440 where: short stacking energy: -383.665 Base-Backbone interact. energy: -3.466 local terms energy: -396.165871 where: bonds (distance) C4'-P energy: -88.015 bonds (distance) P-C4' energy: -91.152 flat angles C4'-P-C4' energy: -87.451 flat angles P-C4'-P energy: -51.349 tors. eta vs tors. theta energy: -78.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1263.119039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.119039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.119039 (E_RNA) where: Base-Base interactions energy: -845.159 where: short stacking energy: -352.524 Base-Backbone interact. energy: 1.706 local terms energy: -419.665540 where: bonds (distance) C4'-P energy: -81.344 bonds (distance) P-C4' energy: -85.723 flat angles C4'-P-C4' energy: -105.818 flat angles P-C4'-P energy: -62.132 tors. eta vs tors. theta energy: -84.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -921.784587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.784587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.784587 (E_RNA) where: Base-Base interactions energy: -567.103 where: short stacking energy: -246.618 Base-Backbone interact. energy: -2.887 local terms energy: -351.794850 where: bonds (distance) C4'-P energy: -67.116 bonds (distance) P-C4' energy: -103.073 flat angles C4'-P-C4' energy: -87.182 flat angles P-C4'-P energy: -46.434 tors. eta vs tors. theta energy: -47.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -427.323379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.323379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.323379 (E_RNA) where: Base-Base interactions energy: -130.632 where: short stacking energy: -108.839 Base-Backbone interact. energy: 0.741 local terms energy: -297.432007 where: bonds (distance) C4'-P energy: -89.810 bonds (distance) P-C4' energy: -91.779 flat angles C4'-P-C4' energy: -83.330 flat angles P-C4'-P energy: -34.678 tors. eta vs tors. theta energy: 2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1947.498390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.498390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.498390 (E_RNA) where: Base-Base interactions energy: -1347.453 where: short stacking energy: -576.325 Base-Backbone interact. energy: -2.270 local terms energy: -597.775458 where: bonds (distance) C4'-P energy: -103.019 bonds (distance) P-C4' energy: -110.616 flat angles C4'-P-C4' energy: -122.554 flat angles P-C4'-P energy: -87.559 tors. eta vs tors. theta energy: -174.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1861.900603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.900603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.900603 (E_RNA) where: Base-Base interactions energy: -1260.147 where: short stacking energy: -541.108 Base-Backbone interact. energy: -0.705 local terms energy: -601.049171 where: bonds (distance) C4'-P energy: -116.258 bonds (distance) P-C4' energy: -111.880 flat angles C4'-P-C4' energy: -120.309 flat angles P-C4'-P energy: -82.188 tors. eta vs tors. theta energy: -170.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1754.903197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.903197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.903197 (E_RNA) where: Base-Base interactions energy: -1207.546 where: short stacking energy: -522.926 Base-Backbone interact. energy: -1.671 local terms energy: -545.686317 where: bonds (distance) C4'-P energy: -90.046 bonds (distance) P-C4' energy: -104.867 flat angles C4'-P-C4' energy: -125.759 flat angles P-C4'-P energy: -84.104 tors. eta vs tors. theta energy: -140.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1670.696535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.696535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.696535 (E_RNA) where: Base-Base interactions energy: -1138.145 where: short stacking energy: -480.185 Base-Backbone interact. energy: -2.599 local terms energy: -529.952712 where: bonds (distance) C4'-P energy: -105.636 bonds (distance) P-C4' energy: -94.418 flat angles C4'-P-C4' energy: -111.219 flat angles P-C4'-P energy: -80.028 tors. eta vs tors. theta energy: -138.652 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: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1541.567340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.567340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.567340 (E_RNA) where: Base-Base interactions energy: -1036.126 where: short stacking energy: -448.598 Base-Backbone interact. energy: -2.182 local terms energy: -503.259584 where: bonds (distance) C4'-P energy: -90.563 bonds (distance) P-C4' energy: -99.422 flat angles C4'-P-C4' energy: -112.420 flat angles P-C4'-P energy: -75.031 tors. eta vs tors. theta energy: -125.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1510.831618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.831618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.831618 (E_RNA) where: Base-Base interactions energy: -1030.912 where: short stacking energy: -440.650 Base-Backbone interact. energy: 1.910 local terms energy: -481.829453 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -82.944 flat angles C4'-P-C4' energy: -94.755 flat angles P-C4'-P energy: -76.521 tors. eta vs tors. theta energy: -128.051 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: 284 Temperature: 1.200000 Total energy: -1359.506378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.506378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.506378 (E_RNA) where: Base-Base interactions energy: -900.880 where: short stacking energy: -369.005 Base-Backbone interact. energy: -1.449 local terms energy: -457.177357 where: bonds (distance) C4'-P energy: -99.862 bonds (distance) P-C4' energy: -96.568 flat angles C4'-P-C4' energy: -108.999 flat angles P-C4'-P energy: -64.967 tors. eta vs tors. theta energy: -86.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1172.259712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.259712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.259712 (E_RNA) where: Base-Base interactions energy: -764.669 where: short stacking energy: -291.073 Base-Backbone interact. energy: 5.146 local terms energy: -412.736444 where: bonds (distance) C4'-P energy: -88.837 bonds (distance) P-C4' energy: -106.239 flat angles C4'-P-C4' energy: -92.290 flat angles P-C4'-P energy: -62.459 tors. eta vs tors. theta energy: -62.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -923.125688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.125688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.125688 (E_RNA) where: Base-Base interactions energy: -560.848 where: short stacking energy: -241.689 Base-Backbone interact. energy: -0.634 local terms energy: -361.643369 where: bonds (distance) C4'-P energy: -83.193 bonds (distance) P-C4' energy: -89.766 flat angles C4'-P-C4' energy: -99.948 flat angles P-C4'-P energy: -51.849 tors. eta vs tors. theta energy: -36.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -420.958455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.958455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.958455 (E_RNA) where: Base-Base interactions energy: -163.003 where: short stacking energy: -115.720 Base-Backbone interact. energy: 1.563 local terms energy: -259.519030 where: bonds (distance) C4'-P energy: -94.196 bonds (distance) P-C4' energy: -88.019 flat angles C4'-P-C4' energy: -63.562 flat angles P-C4'-P energy: -44.516 tors. eta vs tors. theta energy: 30.774 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: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1949.179421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.179421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.179421 (E_RNA) where: Base-Base interactions energy: -1343.919 where: short stacking energy: -577.252 Base-Backbone interact. energy: -5.312 local terms energy: -599.948545 where: bonds (distance) C4'-P energy: -100.589 bonds (distance) P-C4' energy: -115.739 flat angles C4'-P-C4' energy: -124.410 flat angles P-C4'-P energy: -81.054 tors. eta vs tors. theta energy: -178.156 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: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1873.637836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.637836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.637836 (E_RNA) where: Base-Base interactions energy: -1294.156 where: short stacking energy: -553.045 Base-Backbone interact. energy: -2.390 local terms energy: -577.091786 where: bonds (distance) C4'-P energy: -105.128 bonds (distance) P-C4' energy: -102.438 flat angles C4'-P-C4' energy: -116.890 flat angles P-C4'-P energy: -79.601 tors. eta vs tors. theta energy: -173.035 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: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1811.429645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.429645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.429645 (E_RNA) where: Base-Base interactions energy: -1232.873 where: short stacking energy: -546.571 Base-Backbone interact. energy: -1.116 local terms energy: -577.440470 where: bonds (distance) C4'-P energy: -91.037 bonds (distance) P-C4' energy: -114.298 flat angles C4'-P-C4' energy: -118.587 flat angles P-C4'-P energy: -86.032 tors. eta vs tors. theta energy: -167.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1649.352887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.352887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.352887 (E_RNA) where: Base-Base interactions energy: -1127.684 where: short stacking energy: -475.681 Base-Backbone interact. energy: -0.803 local terms energy: -520.866292 where: bonds (distance) C4'-P energy: -118.031 bonds (distance) P-C4' energy: -101.423 flat angles C4'-P-C4' energy: -109.461 flat angles P-C4'-P energy: -63.150 tors. eta vs tors. theta energy: -128.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1581.818795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.818795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.818795 (E_RNA) where: Base-Base interactions energy: -1068.516 where: short stacking energy: -474.205 Base-Backbone interact. energy: 1.056 local terms energy: -514.358717 where: bonds (distance) C4'-P energy: -84.946 bonds (distance) P-C4' energy: -107.096 flat angles C4'-P-C4' energy: -114.195 flat angles P-C4'-P energy: -68.777 tors. eta vs tors. theta energy: -139.344 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: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1493.010061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.010061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.010061 (E_RNA) where: Base-Base interactions energy: -1005.634 where: short stacking energy: -420.545 Base-Backbone interact. energy: -0.933 local terms energy: -486.442485 where: bonds (distance) C4'-P energy: -90.897 bonds (distance) P-C4' energy: -100.212 flat angles C4'-P-C4' energy: -103.791 flat angles P-C4'-P energy: -76.963 tors. eta vs tors. theta energy: -114.580 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: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1407.276709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.276709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.276709 (E_RNA) where: Base-Base interactions energy: -948.415 where: short stacking energy: -417.961 Base-Backbone interact. energy: -2.783 local terms energy: -456.078951 where: bonds (distance) C4'-P energy: -94.732 bonds (distance) P-C4' energy: -91.449 flat angles C4'-P-C4' energy: -93.988 flat angles P-C4'-P energy: -69.753 tors. eta vs tors. theta energy: -106.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1214.831248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.831248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.831248 (E_RNA) where: Base-Base interactions energy: -797.887 where: short stacking energy: -339.244 Base-Backbone interact. energy: -1.011 local terms energy: -415.933431 where: bonds (distance) C4'-P energy: -85.897 bonds (distance) P-C4' energy: -97.959 flat angles C4'-P-C4' energy: -97.271 flat angles P-C4'-P energy: -67.412 tors. eta vs tors. theta energy: -67.394 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: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -899.085084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.085084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.085084 (E_RNA) where: Base-Base interactions energy: -542.565 where: short stacking energy: -245.675 Base-Backbone interact. energy: 0.185 local terms energy: -356.704949 where: bonds (distance) C4'-P energy: -79.796 bonds (distance) P-C4' energy: -76.970 flat angles C4'-P-C4' energy: -88.598 flat angles P-C4'-P energy: -73.411 tors. eta vs tors. theta energy: -37.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -415.790405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.790405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.790405 (E_RNA) where: Base-Base interactions energy: -127.335 where: short stacking energy: -93.514 Base-Backbone interact. energy: -3.378 local terms energy: -285.077462 where: bonds (distance) C4'-P energy: -76.150 bonds (distance) P-C4' energy: -103.698 flat angles C4'-P-C4' energy: -86.596 flat angles P-C4'-P energy: -43.944 tors. eta vs tors. theta energy: 25.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1930.207645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.207645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.207645 (E_RNA) where: Base-Base interactions energy: -1313.459 where: short stacking energy: -574.322 Base-Backbone interact. energy: -0.123 local terms energy: -616.625652 where: bonds (distance) C4'-P energy: -106.145 bonds (distance) P-C4' energy: -119.543 flat angles C4'-P-C4' energy: -125.993 flat angles P-C4'-P energy: -82.406 tors. eta vs tors. theta energy: -182.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1834.175525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.175525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.175525 (E_RNA) where: Base-Base interactions energy: -1258.868 where: short stacking energy: -553.044 Base-Backbone interact. energy: -4.624 local terms energy: -570.683644 where: bonds (distance) C4'-P energy: -112.086 bonds (distance) P-C4' energy: -101.986 flat angles C4'-P-C4' energy: -118.193 flat angles P-C4'-P energy: -78.038 tors. eta vs tors. theta energy: -160.381 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: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1785.468215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.468215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.468215 (E_RNA) where: Base-Base interactions energy: -1231.627 where: short stacking energy: -543.017 Base-Backbone interact. energy: -0.261 local terms energy: -553.580435 where: bonds (distance) C4'-P energy: -99.399 bonds (distance) P-C4' energy: -101.047 flat angles C4'-P-C4' energy: -121.444 flat angles P-C4'-P energy: -70.605 tors. eta vs tors. theta energy: -161.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1654.472317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.472317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.472317 (E_RNA) where: Base-Base interactions energy: -1121.967 where: short stacking energy: -476.295 Base-Backbone interact. energy: -2.642 local terms energy: -529.863827 where: bonds (distance) C4'-P energy: -113.306 bonds (distance) P-C4' energy: -107.208 flat angles C4'-P-C4' energy: -100.174 flat angles P-C4'-P energy: -73.778 tors. eta vs tors. theta energy: -135.398 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: 10 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1538.156388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.156388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.156388 (E_RNA) where: Base-Base interactions energy: -1037.251 where: short stacking energy: -459.503 Base-Backbone interact. energy: 0.407 local terms energy: -501.313149 where: bonds (distance) C4'-P energy: -92.844 bonds (distance) P-C4' energy: -94.847 flat angles C4'-P-C4' energy: -109.125 flat angles P-C4'-P energy: -70.200 tors. eta vs tors. theta energy: -134.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1462.444647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.444647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.444647 (E_RNA) where: Base-Base interactions energy: -1007.011 where: short stacking energy: -427.176 Base-Backbone interact. energy: 2.815 local terms energy: -458.249131 where: bonds (distance) C4'-P energy: -73.203 bonds (distance) P-C4' energy: -104.923 flat angles C4'-P-C4' energy: -98.453 flat angles P-C4'-P energy: -61.587 tors. eta vs tors. theta energy: -120.084 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: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1358.428414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.428414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.428414 (E_RNA) where: Base-Base interactions energy: -911.703 where: short stacking energy: -377.120 Base-Backbone interact. energy: 0.226 local terms energy: -446.951122 where: bonds (distance) C4'-P energy: -94.077 bonds (distance) P-C4' energy: -95.555 flat angles C4'-P-C4' energy: -106.531 flat angles P-C4'-P energy: -61.000 tors. eta vs tors. theta energy: -89.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1200.331445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.331445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.331445 (E_RNA) where: Base-Base interactions energy: -801.861 where: short stacking energy: -347.415 Base-Backbone interact. energy: 0.423 local terms energy: -398.893301 where: bonds (distance) C4'-P energy: -73.897 bonds (distance) P-C4' energy: -84.411 flat angles C4'-P-C4' energy: -105.289 flat angles P-C4'-P energy: -62.842 tors. eta vs tors. theta energy: -72.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -893.328553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.328553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.328553 (E_RNA) where: Base-Base interactions energy: -546.582 where: short stacking energy: -265.465 Base-Backbone interact. energy: 3.282 local terms energy: -350.029404 where: bonds (distance) C4'-P energy: -102.485 bonds (distance) P-C4' energy: -88.365 flat angles C4'-P-C4' energy: -60.834 flat angles P-C4'-P energy: -50.101 tors. eta vs tors. theta energy: -48.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -414.965660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.965660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.965660 (E_RNA) where: Base-Base interactions energy: -149.406 where: short stacking energy: -121.959 Base-Backbone interact. energy: 1.693 local terms energy: -267.253226 where: bonds (distance) C4'-P energy: -83.058 bonds (distance) P-C4' energy: -93.459 flat angles C4'-P-C4' energy: -79.955 flat angles P-C4'-P energy: -18.186 tors. eta vs tors. theta energy: 7.405 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: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1965.487833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.487833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.487833 (E_RNA) where: Base-Base interactions energy: -1367.877 where: short stacking energy: -582.465 Base-Backbone interact. energy: -2.201 local terms energy: -595.409443 where: bonds (distance) C4'-P energy: -111.168 bonds (distance) P-C4' energy: -106.377 flat angles C4'-P-C4' energy: -126.801 flat angles P-C4'-P energy: -86.445 tors. eta vs tors. theta energy: -164.619 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: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1859.501594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.501594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.501594 (E_RNA) where: Base-Base interactions energy: -1279.312 where: short stacking energy: -554.669 Base-Backbone interact. energy: -3.650 local terms energy: -576.539508 where: bonds (distance) C4'-P energy: -106.425 bonds (distance) P-C4' energy: -100.549 flat angles C4'-P-C4' energy: -128.687 flat angles P-C4'-P energy: -79.323 tors. eta vs tors. theta energy: -161.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1828.076731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.076731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.076731 (E_RNA) where: Base-Base interactions energy: -1254.075 where: short stacking energy: -530.477 Base-Backbone interact. energy: -2.192 local terms energy: -571.809561 where: bonds (distance) C4'-P energy: -91.003 bonds (distance) P-C4' energy: -108.501 flat angles C4'-P-C4' energy: -125.302 flat angles P-C4'-P energy: -79.441 tors. eta vs tors. theta energy: -167.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1683.543526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.543526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.543526 (E_RNA) where: Base-Base interactions energy: -1143.403 where: short stacking energy: -496.607 Base-Backbone interact. energy: -2.192 local terms energy: -537.948880 where: bonds (distance) C4'-P energy: -99.233 bonds (distance) P-C4' energy: -107.489 flat angles C4'-P-C4' energy: -118.664 flat angles P-C4'-P energy: -72.552 tors. eta vs tors. theta energy: -140.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1525.010328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.010328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.010328 (E_RNA) where: Base-Base interactions energy: -1045.186 where: short stacking energy: -430.363 Base-Backbone interact. energy: -0.578 local terms energy: -479.246859 where: bonds (distance) C4'-P energy: -88.499 bonds (distance) P-C4' energy: -101.258 flat angles C4'-P-C4' energy: -106.615 flat angles P-C4'-P energy: -63.507 tors. eta vs tors. theta energy: -119.367 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: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1483.714559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.714559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.714559 (E_RNA) where: Base-Base interactions energy: -994.419 where: short stacking energy: -437.516 Base-Backbone interact. energy: -1.452 local terms energy: -487.843633 where: bonds (distance) C4'-P energy: -82.587 bonds (distance) P-C4' energy: -93.374 flat angles C4'-P-C4' energy: -124.996 flat angles P-C4'-P energy: -68.920 tors. eta vs tors. theta energy: -117.967 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: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1346.687546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.687546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.687546 (E_RNA) where: Base-Base interactions energy: -891.701 where: short stacking energy: -375.541 Base-Backbone interact. energy: -3.817 local terms energy: -451.169061 where: bonds (distance) C4'-P energy: -98.702 bonds (distance) P-C4' energy: -95.565 flat angles C4'-P-C4' energy: -101.541 flat angles P-C4'-P energy: -54.537 tors. eta vs tors. theta energy: -100.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1255.406035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.406035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.406035 (E_RNA) where: Base-Base interactions energy: -867.371 where: short stacking energy: -353.029 Base-Backbone interact. energy: -3.963 local terms energy: -384.071149 where: bonds (distance) C4'-P energy: -89.099 bonds (distance) P-C4' energy: -81.768 flat angles C4'-P-C4' energy: -73.053 flat angles P-C4'-P energy: -61.766 tors. eta vs tors. theta energy: -78.386 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: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -905.046009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.046009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.046009 (E_RNA) where: Base-Base interactions energy: -544.212 where: short stacking energy: -247.573 Base-Backbone interact. energy: -1.948 local terms energy: -358.886911 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -80.675 flat angles C4'-P-C4' energy: -92.840 flat angles P-C4'-P energy: -61.631 tors. eta vs tors. theta energy: -48.118 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: 8 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -435.431082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.431082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.431082 (E_RNA) where: Base-Base interactions energy: -142.716 where: short stacking energy: -125.533 Base-Backbone interact. energy: -0.811 local terms energy: -291.903879 where: bonds (distance) C4'-P energy: -81.391 bonds (distance) P-C4' energy: -68.623 flat angles C4'-P-C4' energy: -78.110 flat angles P-C4'-P energy: -60.016 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1967.407937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.407937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.407937 (E_RNA) where: Base-Base interactions energy: -1354.360 where: short stacking energy: -591.457 Base-Backbone interact. energy: -3.783 local terms energy: -609.264493 where: bonds (distance) C4'-P energy: -107.523 bonds (distance) P-C4' energy: -105.123 flat angles C4'-P-C4' energy: -126.511 flat angles P-C4'-P energy: -89.781 tors. eta vs tors. theta energy: -180.326 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: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1823.160057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.160057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.160057 (E_RNA) where: Base-Base interactions energy: -1253.653 where: short stacking energy: -550.977 Base-Backbone interact. energy: -1.159 local terms energy: -568.348529 where: bonds (distance) C4'-P energy: -105.600 bonds (distance) P-C4' energy: -109.576 flat angles C4'-P-C4' energy: -120.018 flat angles P-C4'-P energy: -81.858 tors. eta vs tors. theta energy: -151.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1800.659992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.659992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.659992 (E_RNA) where: Base-Base interactions energy: -1240.844 where: short stacking energy: -520.584 Base-Backbone interact. energy: -0.986 local terms energy: -558.830613 where: bonds (distance) C4'-P energy: -91.752 bonds (distance) P-C4' energy: -109.774 flat angles C4'-P-C4' energy: -123.547 flat angles P-C4'-P energy: -77.109 tors. eta vs tors. theta energy: -156.648 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: 4, replica: 1 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1631.358212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.358212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.358212 (E_RNA) where: Base-Base interactions energy: -1105.218 where: short stacking energy: -469.568 Base-Backbone interact. energy: -5.310 local terms energy: -520.829881 where: bonds (distance) C4'-P energy: -102.114 bonds (distance) P-C4' energy: -101.822 flat angles C4'-P-C4' energy: -110.169 flat angles P-C4'-P energy: -71.490 tors. eta vs tors. theta energy: -135.235 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: 10 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1552.167841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.167841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.167841 (E_RNA) where: Base-Base interactions energy: -1032.439 where: short stacking energy: -452.590 Base-Backbone interact. energy: -2.479 local terms energy: -517.250624 where: bonds (distance) C4'-P energy: -99.868 bonds (distance) P-C4' energy: -108.337 flat angles C4'-P-C4' energy: -115.101 flat angles P-C4'-P energy: -69.625 tors. eta vs tors. theta energy: -124.319 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: 4 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1457.823569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.823569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.823569 (E_RNA) where: Base-Base interactions energy: -981.324 where: short stacking energy: -412.222 Base-Backbone interact. energy: -1.461 local terms energy: -475.038665 where: bonds (distance) C4'-P energy: -88.329 bonds (distance) P-C4' energy: -87.024 flat angles C4'-P-C4' energy: -110.029 flat angles P-C4'-P energy: -76.584 tors. eta vs tors. theta energy: -113.072 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: 7, replica: 2 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1420.721964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.721964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.721964 (E_RNA) where: Base-Base interactions energy: -961.615 where: short stacking energy: -420.210 Base-Backbone interact. energy: -1.443 local terms energy: -457.663289 where: bonds (distance) C4'-P energy: -105.564 bonds (distance) P-C4' energy: -81.947 flat angles C4'-P-C4' energy: -105.459 flat angles P-C4'-P energy: -59.745 tors. eta vs tors. theta energy: -104.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1271.605111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.605111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.605111 (E_RNA) where: Base-Base interactions energy: -855.852 where: short stacking energy: -376.842 Base-Backbone interact. energy: -0.558 local terms energy: -415.194963 where: bonds (distance) C4'-P energy: -94.976 bonds (distance) P-C4' energy: -79.945 flat angles C4'-P-C4' energy: -111.659 flat angles P-C4'-P energy: -46.373 tors. eta vs tors. theta energy: -82.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -891.014342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.014342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.014342 (E_RNA) where: Base-Base interactions energy: -542.872 where: short stacking energy: -257.335 Base-Backbone interact. energy: 1.367 local terms energy: -349.509277 where: bonds (distance) C4'-P energy: -88.488 bonds (distance) P-C4' energy: -96.618 flat angles C4'-P-C4' energy: -92.364 flat angles P-C4'-P energy: -45.185 tors. eta vs tors. theta energy: -26.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -414.386693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.386693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.386693 (E_RNA) where: Base-Base interactions energy: -124.527 where: short stacking energy: -93.078 Base-Backbone interact. energy: 1.598 local terms energy: -291.457764 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -100.992 flat angles C4'-P-C4' energy: -83.282 flat angles P-C4'-P energy: -53.300 tors. eta vs tors. theta energy: 32.218 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: 5 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1937.431854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.431854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.431854 (E_RNA) where: Base-Base interactions energy: -1328.747 where: short stacking energy: -577.097 Base-Backbone interact. energy: -5.598 local terms energy: -603.086632 where: bonds (distance) C4'-P energy: -108.720 bonds (distance) P-C4' energy: -112.161 flat angles C4'-P-C4' energy: -127.027 flat angles P-C4'-P energy: -77.382 tors. eta vs tors. theta energy: -177.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1859.620412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.620412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.620412 (E_RNA) where: Base-Base interactions energy: -1258.445 where: short stacking energy: -543.460 Base-Backbone interact. energy: -1.697 local terms energy: -599.478470 where: bonds (distance) C4'-P energy: -100.486 bonds (distance) P-C4' energy: -107.257 flat angles C4'-P-C4' energy: -131.648 flat angles P-C4'-P energy: -89.858 tors. eta vs tors. theta energy: -170.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1783.173255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.173255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.173255 (E_RNA) where: Base-Base interactions energy: -1233.191 where: short stacking energy: -518.110 Base-Backbone interact. energy: -1.599 local terms energy: -548.383339 where: bonds (distance) C4'-P energy: -110.180 bonds (distance) P-C4' energy: -103.612 flat angles C4'-P-C4' energy: -112.676 flat angles P-C4'-P energy: -79.615 tors. eta vs tors. theta energy: -142.299 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: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1638.992250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.992250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.992250 (E_RNA) where: Base-Base interactions energy: -1136.672 where: short stacking energy: -476.095 Base-Backbone interact. energy: -2.952 local terms energy: -499.368294 where: bonds (distance) C4'-P energy: -88.333 bonds (distance) P-C4' energy: -95.554 flat angles C4'-P-C4' energy: -111.064 flat angles P-C4'-P energy: -76.413 tors. eta vs tors. theta energy: -128.004 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: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1568.744996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.744996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.744996 (E_RNA) where: Base-Base interactions energy: -1060.650 where: short stacking energy: -460.180 Base-Backbone interact. energy: -0.473 local terms energy: -507.621953 where: bonds (distance) C4'-P energy: -91.953 bonds (distance) P-C4' energy: -105.490 flat angles C4'-P-C4' energy: -105.861 flat angles P-C4'-P energy: -80.976 tors. eta vs tors. theta energy: -123.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1421.908517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.908517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.908517 (E_RNA) where: Base-Base interactions energy: -944.932 where: short stacking energy: -411.061 Base-Backbone interact. energy: -1.886 local terms energy: -475.091109 where: bonds (distance) C4'-P energy: -97.840 bonds (distance) P-C4' energy: -103.993 flat angles C4'-P-C4' energy: -102.886 flat angles P-C4'-P energy: -59.027 tors. eta vs tors. theta energy: -111.346 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: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1454.496353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.496353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.496353 (E_RNA) where: Base-Base interactions energy: -968.184 where: short stacking energy: -422.067 Base-Backbone interact. energy: -1.873 local terms energy: -484.439696 where: bonds (distance) C4'-P energy: -103.772 bonds (distance) P-C4' energy: -106.511 flat angles C4'-P-C4' energy: -97.817 flat angles P-C4'-P energy: -71.594 tors. eta vs tors. theta energy: -104.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1284.503152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.503152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.503152 (E_RNA) where: Base-Base interactions energy: -874.239 where: short stacking energy: -373.965 Base-Backbone interact. energy: -3.465 local terms energy: -406.798939 where: bonds (distance) C4'-P energy: -85.818 bonds (distance) P-C4' energy: -76.938 flat angles C4'-P-C4' energy: -96.827 flat angles P-C4'-P energy: -58.467 tors. eta vs tors. theta energy: -88.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -878.252650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.252650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.252650 (E_RNA) where: Base-Base interactions energy: -523.926 where: short stacking energy: -235.266 Base-Backbone interact. energy: 0.241 local terms energy: -354.568336 where: bonds (distance) C4'-P energy: -94.560 bonds (distance) P-C4' energy: -79.348 flat angles C4'-P-C4' energy: -83.477 flat angles P-C4'-P energy: -56.506 tors. eta vs tors. theta energy: -40.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -425.236833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.236833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.236833 (E_RNA) where: Base-Base interactions energy: -144.526 where: short stacking energy: -115.258 Base-Backbone interact. energy: 6.149 local terms energy: -286.859501 where: bonds (distance) C4'-P energy: -96.230 bonds (distance) P-C4' energy: -95.250 flat angles C4'-P-C4' energy: -68.403 flat angles P-C4'-P energy: -41.092 tors. eta vs tors. theta energy: 14.116 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: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1923.104735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.104735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.104735 (E_RNA) where: Base-Base interactions energy: -1317.780 where: short stacking energy: -559.007 Base-Backbone interact. energy: 3.920 local terms energy: -609.245209 where: bonds (distance) C4'-P energy: -103.252 bonds (distance) P-C4' energy: -113.066 flat angles C4'-P-C4' energy: -137.302 flat angles P-C4'-P energy: -83.259 tors. eta vs tors. theta energy: -172.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1862.139061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.139061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.139061 (E_RNA) where: Base-Base interactions energy: -1281.194 where: short stacking energy: -553.665 Base-Backbone interact. energy: -5.046 local terms energy: -575.898722 where: bonds (distance) C4'-P energy: -89.429 bonds (distance) P-C4' energy: -112.060 flat angles C4'-P-C4' energy: -126.443 flat angles P-C4'-P energy: -79.191 tors. eta vs tors. theta energy: -168.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1801.124688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.124688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.124688 (E_RNA) where: Base-Base interactions energy: -1213.560 where: short stacking energy: -543.994 Base-Backbone interact. energy: -1.246 local terms energy: -586.318695 where: bonds (distance) C4'-P energy: -111.394 bonds (distance) P-C4' energy: -110.725 flat angles C4'-P-C4' energy: -126.679 flat angles P-C4'-P energy: -81.556 tors. eta vs tors. theta energy: -155.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1693.653222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.653222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.653222 (E_RNA) where: Base-Base interactions energy: -1156.396 where: short stacking energy: -520.872 Base-Backbone interact. energy: -1.217 local terms energy: -536.040104 where: bonds (distance) C4'-P energy: -91.304 bonds (distance) P-C4' energy: -100.950 flat angles C4'-P-C4' energy: -125.694 flat angles P-C4'-P energy: -65.222 tors. eta vs tors. theta energy: -152.871 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: 10 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1562.420658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.420658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.420658 (E_RNA) where: Base-Base interactions energy: -1062.470 where: short stacking energy: -480.398 Base-Backbone interact. energy: 0.465 local terms energy: -500.415817 where: bonds (distance) C4'-P energy: -94.320 bonds (distance) P-C4' energy: -101.063 flat angles C4'-P-C4' energy: -104.858 flat angles P-C4'-P energy: -72.676 tors. eta vs tors. theta energy: -127.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1496.905054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.905054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.905054 (E_RNA) where: Base-Base interactions energy: -1017.952 where: short stacking energy: -419.864 Base-Backbone interact. energy: 0.444 local terms energy: -479.396925 where: bonds (distance) C4'-P energy: -76.782 bonds (distance) P-C4' energy: -101.417 flat angles C4'-P-C4' energy: -114.707 flat angles P-C4'-P energy: -71.827 tors. eta vs tors. theta energy: -114.664 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: 7, replica: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1429.405022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.405022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.405022 (E_RNA) where: Base-Base interactions energy: -970.635 where: short stacking energy: -419.613 Base-Backbone interact. energy: 0.679 local terms energy: -459.449451 where: bonds (distance) C4'-P energy: -87.033 bonds (distance) P-C4' energy: -89.064 flat angles C4'-P-C4' energy: -106.818 flat angles P-C4'-P energy: -65.820 tors. eta vs tors. theta energy: -110.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1307.593489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.593489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.593489 (E_RNA) where: Base-Base interactions energy: -871.530 where: short stacking energy: -374.077 Base-Backbone interact. energy: -2.204 local terms energy: -433.859276 where: bonds (distance) C4'-P energy: -73.907 bonds (distance) P-C4' energy: -94.393 flat angles C4'-P-C4' energy: -98.834 flat angles P-C4'-P energy: -76.150 tors. eta vs tors. theta energy: -90.575 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: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -916.217719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.217719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.217719 (E_RNA) where: Base-Base interactions energy: -544.734 where: short stacking energy: -256.160 Base-Backbone interact. energy: -0.069 local terms energy: -371.415193 where: bonds (distance) C4'-P energy: -72.130 bonds (distance) P-C4' energy: -99.311 flat angles C4'-P-C4' energy: -91.493 flat angles P-C4'-P energy: -58.816 tors. eta vs tors. theta energy: -49.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -447.434975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.434975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.434975 (E_RNA) where: Base-Base interactions energy: -172.088 where: short stacking energy: -137.241 Base-Backbone interact. energy: 2.931 local terms energy: -278.278719 where: bonds (distance) C4'-P energy: -81.130 bonds (distance) P-C4' energy: -90.605 flat angles C4'-P-C4' energy: -76.698 flat angles P-C4'-P energy: -38.638 tors. eta vs tors. theta energy: 8.791 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: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1917.835807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.835807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.835807 (E_RNA) where: Base-Base interactions energy: -1337.169 where: short stacking energy: -564.849 Base-Backbone interact. energy: 1.966 local terms energy: -582.632683 where: bonds (distance) C4'-P energy: -100.392 bonds (distance) P-C4' energy: -100.017 flat angles C4'-P-C4' energy: -123.029 flat angles P-C4'-P energy: -83.588 tors. eta vs tors. theta energy: -175.607 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: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1861.513323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.513323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.513323 (E_RNA) where: Base-Base interactions energy: -1283.878 where: short stacking energy: -544.862 Base-Backbone interact. energy: 1.899 local terms energy: -579.534551 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -111.376 flat angles C4'-P-C4' energy: -120.988 flat angles P-C4'-P energy: -78.470 tors. eta vs tors. theta energy: -165.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1775.920722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.920722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.920722 (E_RNA) where: Base-Base interactions energy: -1218.565 where: short stacking energy: -510.731 Base-Backbone interact. energy: -3.096 local terms energy: -554.259644 where: bonds (distance) C4'-P energy: -90.355 bonds (distance) P-C4' energy: -110.344 flat angles C4'-P-C4' energy: -112.785 flat angles P-C4'-P energy: -88.133 tors. eta vs tors. theta energy: -152.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1694.437091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.437091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.437091 (E_RNA) where: Base-Base interactions energy: -1154.453 where: short stacking energy: -480.698 Base-Backbone interact. energy: -0.465 local terms energy: -539.518576 where: bonds (distance) C4'-P energy: -90.156 bonds (distance) P-C4' energy: -104.982 flat angles C4'-P-C4' energy: -109.176 flat angles P-C4'-P energy: -82.705 tors. eta vs tors. theta energy: -152.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1551.161113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.161113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.161113 (E_RNA) where: Base-Base interactions energy: -1040.157 where: short stacking energy: -469.865 Base-Backbone interact. energy: 1.323 local terms energy: -512.327106 where: bonds (distance) C4'-P energy: -91.759 bonds (distance) P-C4' energy: -105.411 flat angles C4'-P-C4' energy: -109.533 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -131.471 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: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1500.046417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.046417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.046417 (E_RNA) where: Base-Base interactions energy: -1005.152 where: short stacking energy: -421.201 Base-Backbone interact. energy: -0.473 local terms energy: -494.422315 where: bonds (distance) C4'-P energy: -97.088 bonds (distance) P-C4' energy: -104.268 flat angles C4'-P-C4' energy: -115.248 flat angles P-C4'-P energy: -70.441 tors. eta vs tors. theta energy: -107.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1415.428257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.428257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.428257 (E_RNA) where: Base-Base interactions energy: -980.720 where: short stacking energy: -406.350 Base-Backbone interact. energy: 2.705 local terms energy: -437.412652 where: bonds (distance) C4'-P energy: -90.053 bonds (distance) P-C4' energy: -95.719 flat angles C4'-P-C4' energy: -97.890 flat angles P-C4'-P energy: -51.904 tors. eta vs tors. theta energy: -101.845 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: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1302.114476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.114476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.114476 (E_RNA) where: Base-Base interactions energy: -877.451 where: short stacking energy: -368.476 Base-Backbone interact. energy: -1.903 local terms energy: -422.760713 where: bonds (distance) C4'-P energy: -91.809 bonds (distance) P-C4' energy: -90.945 flat angles C4'-P-C4' energy: -90.955 flat angles P-C4'-P energy: -57.339 tors. eta vs tors. theta energy: -91.713 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: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -993.234357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.234357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.234357 (E_RNA) where: Base-Base interactions energy: -617.058 where: short stacking energy: -293.128 Base-Backbone interact. energy: 0.100 local terms energy: -376.276260 where: bonds (distance) C4'-P energy: -81.897 bonds (distance) P-C4' energy: -81.261 flat angles C4'-P-C4' energy: -95.211 flat angles P-C4'-P energy: -51.509 tors. eta vs tors. theta energy: -66.398 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: 8 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -443.767136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.767136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.767136 (E_RNA) where: Base-Base interactions energy: -153.610 where: short stacking energy: -126.941 Base-Backbone interact. energy: 1.046 local terms energy: -291.203538 where: bonds (distance) C4'-P energy: -77.276 bonds (distance) P-C4' energy: -98.467 flat angles C4'-P-C4' energy: -92.284 flat angles P-C4'-P energy: -42.477 tors. eta vs tors. theta energy: 19.300 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: 5 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1915.983347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.983347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.983347 (E_RNA) where: Base-Base interactions energy: -1313.361 where: short stacking energy: -563.872 Base-Backbone interact. energy: 0.950 local terms energy: -603.573029 where: bonds (distance) C4'-P energy: -113.543 bonds (distance) P-C4' energy: -100.613 flat angles C4'-P-C4' energy: -126.346 flat angles P-C4'-P energy: -90.638 tors. eta vs tors. theta energy: -172.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1869.428906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.428906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.428906 (E_RNA) where: Base-Base interactions energy: -1264.348 where: short stacking energy: -548.944 Base-Backbone interact. energy: -3.984 local terms energy: -601.096579 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -120.755 flat angles C4'-P-C4' energy: -121.881 flat angles P-C4'-P energy: -92.592 tors. eta vs tors. theta energy: -158.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1801.873836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.873836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.873836 (E_RNA) where: Base-Base interactions energy: -1254.536 where: short stacking energy: -525.443 Base-Backbone interact. energy: -3.112 local terms energy: -544.225013 where: bonds (distance) C4'-P energy: -94.682 bonds (distance) P-C4' energy: -100.054 flat angles C4'-P-C4' energy: -124.320 flat angles P-C4'-P energy: -68.371 tors. eta vs tors. theta energy: -156.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1652.137853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.137853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.137853 (E_RNA) where: Base-Base interactions energy: -1148.250 where: short stacking energy: -481.369 Base-Backbone interact. energy: -4.616 local terms energy: -499.271311 where: bonds (distance) C4'-P energy: -89.302 bonds (distance) P-C4' energy: -99.126 flat angles C4'-P-C4' energy: -105.686 flat angles P-C4'-P energy: -76.338 tors. eta vs tors. theta energy: -128.818 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: 5, replica: 10 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1585.437329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.437329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.437329 (E_RNA) where: Base-Base interactions energy: -1062.511 where: short stacking energy: -462.460 Base-Backbone interact. energy: -2.087 local terms energy: -520.839079 where: bonds (distance) C4'-P energy: -96.226 bonds (distance) P-C4' energy: -101.787 flat angles C4'-P-C4' energy: -114.557 flat angles P-C4'-P energy: -71.336 tors. eta vs tors. theta energy: -136.933 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: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1490.175016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.175016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.175016 (E_RNA) where: Base-Base interactions energy: -1017.612 where: short stacking energy: -448.992 Base-Backbone interact. energy: -1.065 local terms energy: -471.497659 where: bonds (distance) C4'-P energy: -100.324 bonds (distance) P-C4' energy: -84.636 flat angles C4'-P-C4' energy: -101.330 flat angles P-C4'-P energy: -58.483 tors. eta vs tors. theta energy: -126.724 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: 4 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1375.542013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.542013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.542013 (E_RNA) where: Base-Base interactions energy: -925.668 where: short stacking energy: -385.305 Base-Backbone interact. energy: 1.367 local terms energy: -451.240367 where: bonds (distance) C4'-P energy: -85.485 bonds (distance) P-C4' energy: -94.564 flat angles C4'-P-C4' energy: -102.195 flat angles P-C4'-P energy: -62.910 tors. eta vs tors. theta energy: -106.086 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: 6 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1245.086212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.086212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.086212 (E_RNA) where: Base-Base interactions energy: -839.246 where: short stacking energy: -347.731 Base-Backbone interact. energy: -2.187 local terms energy: -403.653879 where: bonds (distance) C4'-P energy: -86.355 bonds (distance) P-C4' energy: -84.142 flat angles C4'-P-C4' energy: -98.520 flat angles P-C4'-P energy: -53.321 tors. eta vs tors. theta energy: -81.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -913.778724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.778724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.778724 (E_RNA) where: Base-Base interactions energy: -566.944 where: short stacking energy: -258.703 Base-Backbone interact. energy: -2.321 local terms energy: -344.513866 where: bonds (distance) C4'-P energy: -81.892 bonds (distance) P-C4' energy: -79.463 flat angles C4'-P-C4' energy: -87.445 flat angles P-C4'-P energy: -58.741 tors. eta vs tors. theta energy: -36.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -428.083085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.083085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.083085 (E_RNA) where: Base-Base interactions energy: -151.302 where: short stacking energy: -141.275 Base-Backbone interact. energy: -2.519 local terms energy: -274.262278 where: bonds (distance) C4'-P energy: -93.969 bonds (distance) P-C4' energy: -89.679 flat angles C4'-P-C4' energy: -78.776 flat angles P-C4'-P energy: -36.638 tors. eta vs tors. theta energy: 24.799 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: 5 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1924.130132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.130132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.130132 (E_RNA) where: Base-Base interactions energy: -1309.777 where: short stacking energy: -568.793 Base-Backbone interact. energy: -4.616 local terms energy: -609.737732 where: bonds (distance) C4'-P energy: -113.077 bonds (distance) P-C4' energy: -119.018 flat angles C4'-P-C4' energy: -125.554 flat angles P-C4'-P energy: -81.752 tors. eta vs tors. theta energy: -170.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1884.353943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.353943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.353943 (E_RNA) where: Base-Base interactions energy: -1277.733 where: short stacking energy: -555.412 Base-Backbone interact. energy: -2.975 local terms energy: -603.646111 where: bonds (distance) C4'-P energy: -110.771 bonds (distance) P-C4' energy: -118.657 flat angles C4'-P-C4' energy: -122.347 flat angles P-C4'-P energy: -87.098 tors. eta vs tors. theta energy: -164.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1788.501299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.501299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.501299 (E_RNA) where: Base-Base interactions energy: -1226.339 where: short stacking energy: -541.541 Base-Backbone interact. energy: -0.970 local terms energy: -561.192343 where: bonds (distance) C4'-P energy: -97.159 bonds (distance) P-C4' energy: -103.588 flat angles C4'-P-C4' energy: -114.365 flat angles P-C4'-P energy: -85.866 tors. eta vs tors. theta energy: -160.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1661.208137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.208137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.208137 (E_RNA) where: Base-Base interactions energy: -1131.307 where: short stacking energy: -481.208 Base-Backbone interact. energy: 2.116 local terms energy: -532.017374 where: bonds (distance) C4'-P energy: -99.554 bonds (distance) P-C4' energy: -107.265 flat angles C4'-P-C4' energy: -111.117 flat angles P-C4'-P energy: -82.739 tors. eta vs tors. theta energy: -131.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1543.158462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.158462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.158462 (E_RNA) where: Base-Base interactions energy: -1056.796 where: short stacking energy: -433.238 Base-Backbone interact. energy: -0.083 local terms energy: -486.279730 where: bonds (distance) C4'-P energy: -84.342 bonds (distance) P-C4' energy: -112.489 flat angles C4'-P-C4' energy: -112.186 flat angles P-C4'-P energy: -77.180 tors. eta vs tors. theta energy: -100.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1479.262806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.262806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.262806 (E_RNA) where: Base-Base interactions energy: -1012.340 where: short stacking energy: -440.160 Base-Backbone interact. energy: -2.344 local terms energy: -464.577900 where: bonds (distance) C4'-P energy: -80.301 bonds (distance) P-C4' energy: -92.894 flat angles C4'-P-C4' energy: -105.998 flat angles P-C4'-P energy: -63.640 tors. eta vs tors. theta energy: -121.745 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: 7, replica: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1434.757115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.757115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.757115 (E_RNA) where: Base-Base interactions energy: -952.308 where: short stacking energy: -391.464 Base-Backbone interact. energy: -0.186 local terms energy: -482.263509 where: bonds (distance) C4'-P energy: -86.846 bonds (distance) P-C4' energy: -99.092 flat angles C4'-P-C4' energy: -109.997 flat angles P-C4'-P energy: -80.446 tors. eta vs tors. theta energy: -105.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1245.098413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.098413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.098413 (E_RNA) where: Base-Base interactions energy: -830.066 where: short stacking energy: -342.157 Base-Backbone interact. energy: -1.806 local terms energy: -413.226752 where: bonds (distance) C4'-P energy: -93.331 bonds (distance) P-C4' energy: -77.503 flat angles C4'-P-C4' energy: -98.271 flat angles P-C4'-P energy: -60.295 tors. eta vs tors. theta energy: -83.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -947.283681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.283681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.283681 (E_RNA) where: Base-Base interactions energy: -581.166 where: short stacking energy: -259.874 Base-Backbone interact. energy: -3.033 local terms energy: -363.084282 where: bonds (distance) C4'-P energy: -89.400 bonds (distance) P-C4' energy: -97.386 flat angles C4'-P-C4' energy: -90.453 flat angles P-C4'-P energy: -43.078 tors. eta vs tors. theta energy: -42.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -510.716559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.716559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.716559 (E_RNA) where: Base-Base interactions energy: -212.607 where: short stacking energy: -142.311 Base-Backbone interact. energy: -1.241 local terms energy: -296.869015 where: bonds (distance) C4'-P energy: -89.054 bonds (distance) P-C4' energy: -84.799 flat angles C4'-P-C4' energy: -64.785 flat angles P-C4'-P energy: -71.924 tors. eta vs tors. theta energy: 13.694 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: 5 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1909.133272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.133272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.133272 (E_RNA) where: Base-Base interactions energy: -1305.945 where: short stacking energy: -561.203 Base-Backbone interact. energy: -4.313 local terms energy: -598.875260 where: bonds (distance) C4'-P energy: -118.393 bonds (distance) P-C4' energy: -116.185 flat angles C4'-P-C4' energy: -114.080 flat angles P-C4'-P energy: -82.415 tors. eta vs tors. theta energy: -167.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1900.174287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.174287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.174287 (E_RNA) where: Base-Base interactions energy: -1317.904 where: short stacking energy: -569.249 Base-Backbone interact. energy: 0.042 local terms energy: -582.312130 where: bonds (distance) C4'-P energy: -98.758 bonds (distance) P-C4' energy: -103.562 flat angles C4'-P-C4' energy: -129.884 flat angles P-C4'-P energy: -83.771 tors. eta vs tors. theta energy: -166.337 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: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1814.370327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.370327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.370327 (E_RNA) where: Base-Base interactions energy: -1251.713 where: short stacking energy: -529.641 Base-Backbone interact. energy: -0.939 local terms energy: -561.718297 where: bonds (distance) C4'-P energy: -108.350 bonds (distance) P-C4' energy: -92.291 flat angles C4'-P-C4' energy: -114.907 flat angles P-C4'-P energy: -82.272 tors. eta vs tors. theta energy: -163.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1682.830494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.830494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.830494 (E_RNA) where: Base-Base interactions energy: -1150.481 where: short stacking energy: -478.294 Base-Backbone interact. energy: -3.750 local terms energy: -528.598721 where: bonds (distance) C4'-P energy: -111.726 bonds (distance) P-C4' energy: -90.489 flat angles C4'-P-C4' energy: -111.859 flat angles P-C4'-P energy: -79.911 tors. eta vs tors. theta energy: -134.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1558.871708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.871708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.871708 (E_RNA) where: Base-Base interactions energy: -1045.754 where: short stacking energy: -469.539 Base-Backbone interact. energy: 1.422 local terms energy: -514.539601 where: bonds (distance) C4'-P energy: -104.214 bonds (distance) P-C4' energy: -90.487 flat angles C4'-P-C4' energy: -107.558 flat angles P-C4'-P energy: -73.306 tors. eta vs tors. theta energy: -138.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1507.996187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.996187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.996187 (E_RNA) where: Base-Base interactions energy: -1023.145 where: short stacking energy: -416.611 Base-Backbone interact. energy: 0.321 local terms energy: -485.171934 where: bonds (distance) C4'-P energy: -103.612 bonds (distance) P-C4' energy: -93.468 flat angles C4'-P-C4' energy: -99.273 flat angles P-C4'-P energy: -68.918 tors. eta vs tors. theta energy: -119.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1393.783954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.783954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.783954 (E_RNA) where: Base-Base interactions energy: -951.404 where: short stacking energy: -406.247 Base-Backbone interact. energy: -1.969 local terms energy: -440.410542 where: bonds (distance) C4'-P energy: -87.994 bonds (distance) P-C4' energy: -89.952 flat angles C4'-P-C4' energy: -98.072 flat angles P-C4'-P energy: -60.098 tors. eta vs tors. theta energy: -104.295 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: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1278.676697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.676697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.676697 (E_RNA) where: Base-Base interactions energy: -858.238 where: short stacking energy: -375.093 Base-Backbone interact. energy: -0.282 local terms energy: -420.156560 where: bonds (distance) C4'-P energy: -86.454 bonds (distance) P-C4' energy: -81.610 flat angles C4'-P-C4' energy: -96.186 flat angles P-C4'-P energy: -59.493 tors. eta vs tors. theta energy: -96.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -919.364821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.364821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.364821 (E_RNA) where: Base-Base interactions energy: -592.872 where: short stacking energy: -262.657 Base-Backbone interact. energy: 0.246 local terms energy: -326.738897 where: bonds (distance) C4'-P energy: -77.739 bonds (distance) P-C4' energy: -86.957 flat angles C4'-P-C4' energy: -86.496 flat angles P-C4'-P energy: -35.343 tors. eta vs tors. theta energy: -40.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -489.242836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.242836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.242836 (E_RNA) where: Base-Base interactions energy: -201.096 where: short stacking energy: -124.307 Base-Backbone interact. energy: 0.601 local terms energy: -288.747686 where: bonds (distance) C4'-P energy: -94.093 bonds (distance) P-C4' energy: -91.564 flat angles C4'-P-C4' energy: -70.615 flat angles P-C4'-P energy: -41.296 tors. eta vs tors. theta energy: 8.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1924.736962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.736962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.736962 (E_RNA) where: Base-Base interactions energy: -1335.888 where: short stacking energy: -565.715 Base-Backbone interact. energy: -3.899 local terms energy: -584.949640 where: bonds (distance) C4'-P energy: -105.537 bonds (distance) P-C4' energy: -100.706 flat angles C4'-P-C4' energy: -128.422 flat angles P-C4'-P energy: -75.774 tors. eta vs tors. theta energy: -174.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1866.952590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.952590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.952590 (E_RNA) where: Base-Base interactions energy: -1287.409 where: short stacking energy: -545.182 Base-Backbone interact. energy: -1.470 local terms energy: -578.074146 where: bonds (distance) C4'-P energy: -105.896 bonds (distance) P-C4' energy: -107.467 flat angles C4'-P-C4' energy: -129.182 flat angles P-C4'-P energy: -81.123 tors. eta vs tors. theta energy: -154.407 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: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1790.631018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.631018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.631018 (E_RNA) where: Base-Base interactions energy: -1239.157 where: short stacking energy: -540.471 Base-Backbone interact. energy: -0.647 local terms energy: -550.827626 where: bonds (distance) C4'-P energy: -98.630 bonds (distance) P-C4' energy: -103.728 flat angles C4'-P-C4' energy: -116.496 flat angles P-C4'-P energy: -80.613 tors. eta vs tors. theta energy: -151.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1700.138886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.138886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.138886 (E_RNA) where: Base-Base interactions energy: -1175.097 where: short stacking energy: -492.291 Base-Backbone interact. energy: -2.914 local terms energy: -522.127640 where: bonds (distance) C4'-P energy: -89.625 bonds (distance) P-C4' energy: -91.318 flat angles C4'-P-C4' energy: -114.587 flat angles P-C4'-P energy: -78.884 tors. eta vs tors. theta energy: -147.714 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: 10 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1604.543988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.543988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.543988 (E_RNA) where: Base-Base interactions energy: -1095.907 where: short stacking energy: -456.587 Base-Backbone interact. energy: -0.121 local terms energy: -508.516239 where: bonds (distance) C4'-P energy: -105.090 bonds (distance) P-C4' energy: -97.344 flat angles C4'-P-C4' energy: -108.522 flat angles P-C4'-P energy: -69.486 tors. eta vs tors. theta energy: -128.074 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: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1442.693433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.693433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.693433 (E_RNA) where: Base-Base interactions energy: -963.968 where: short stacking energy: -398.229 Base-Backbone interact. energy: -0.532 local terms energy: -478.193919 where: bonds (distance) C4'-P energy: -100.989 bonds (distance) P-C4' energy: -112.088 flat angles C4'-P-C4' energy: -111.348 flat angles P-C4'-P energy: -53.246 tors. eta vs tors. theta energy: -100.522 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: 7, replica: 2 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1450.157563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.157563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.157563 (E_RNA) where: Base-Base interactions energy: -982.658 where: short stacking energy: -422.719 Base-Backbone interact. energy: -0.805 local terms energy: -466.694106 where: bonds (distance) C4'-P energy: -87.922 bonds (distance) P-C4' energy: -83.915 flat angles C4'-P-C4' energy: -101.258 flat angles P-C4'-P energy: -77.586 tors. eta vs tors. theta energy: -116.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1241.866017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.866017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.866017 (E_RNA) where: Base-Base interactions energy: -825.878 where: short stacking energy: -342.061 Base-Backbone interact. energy: -3.137 local terms energy: -412.850728 where: bonds (distance) C4'-P energy: -89.792 bonds (distance) P-C4' energy: -91.069 flat angles C4'-P-C4' energy: -82.493 flat angles P-C4'-P energy: -67.236 tors. eta vs tors. theta energy: -82.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -919.774109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.774109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.774109 (E_RNA) where: Base-Base interactions energy: -550.318 where: short stacking energy: -266.048 Base-Backbone interact. energy: -1.833 local terms energy: -367.623066 where: bonds (distance) C4'-P energy: -75.924 bonds (distance) P-C4' energy: -96.764 flat angles C4'-P-C4' energy: -93.445 flat angles P-C4'-P energy: -58.162 tors. eta vs tors. theta energy: -43.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -414.475884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.475884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.475884 (E_RNA) where: Base-Base interactions energy: -131.105 where: short stacking energy: -116.218 Base-Backbone interact. energy: 2.748 local terms energy: -286.119839 where: bonds (distance) C4'-P energy: -95.421 bonds (distance) P-C4' energy: -95.298 flat angles C4'-P-C4' energy: -66.163 flat angles P-C4'-P energy: -57.406 tors. eta vs tors. theta energy: 28.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1931.517525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.517525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.517525 (E_RNA) where: Base-Base interactions energy: -1325.623 where: short stacking energy: -577.880 Base-Backbone interact. energy: -6.197 local terms energy: -599.697212 where: bonds (distance) C4'-P energy: -114.043 bonds (distance) P-C4' energy: -112.135 flat angles C4'-P-C4' energy: -123.114 flat angles P-C4'-P energy: -75.253 tors. eta vs tors. theta energy: -175.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1882.972890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.972890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.972890 (E_RNA) where: Base-Base interactions energy: -1291.650 where: short stacking energy: -568.199 Base-Backbone interact. energy: -2.331 local terms energy: -588.991314 where: bonds (distance) C4'-P energy: -107.756 bonds (distance) P-C4' energy: -114.221 flat angles C4'-P-C4' energy: -123.586 flat angles P-C4'-P energy: -70.650 tors. eta vs tors. theta energy: -172.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1795.140736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.140736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.140736 (E_RNA) where: Base-Base interactions energy: -1222.324 where: short stacking energy: -522.983 Base-Backbone interact. energy: -1.710 local terms energy: -571.107501 where: bonds (distance) C4'-P energy: -105.584 bonds (distance) P-C4' energy: -118.110 flat angles C4'-P-C4' energy: -120.841 flat angles P-C4'-P energy: -80.318 tors. eta vs tors. theta energy: -146.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1654.826866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.826866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.826866 (E_RNA) where: Base-Base interactions energy: -1133.532 where: short stacking energy: -478.663 Base-Backbone interact. energy: -0.681 local terms energy: -520.613538 where: bonds (distance) C4'-P energy: -101.158 bonds (distance) P-C4' energy: -95.877 flat angles C4'-P-C4' energy: -107.003 flat angles P-C4'-P energy: -75.334 tors. eta vs tors. theta energy: -141.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1608.545176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.545176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.545176 (E_RNA) where: Base-Base interactions energy: -1111.239 where: short stacking energy: -465.647 Base-Backbone interact. energy: -0.628 local terms energy: -496.678436 where: bonds (distance) C4'-P energy: -88.142 bonds (distance) P-C4' energy: -90.922 flat angles C4'-P-C4' energy: -119.624 flat angles P-C4'-P energy: -68.256 tors. eta vs tors. theta energy: -129.735 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: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1429.427262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.427262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.427262 (E_RNA) where: Base-Base interactions energy: -946.946 where: short stacking energy: -404.981 Base-Backbone interact. energy: -1.231 local terms energy: -481.249701 where: bonds (distance) C4'-P energy: -83.091 bonds (distance) P-C4' energy: -105.562 flat angles C4'-P-C4' energy: -112.903 flat angles P-C4'-P energy: -68.547 tors. eta vs tors. theta energy: -111.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1424.738134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.738134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.738134 (E_RNA) where: Base-Base interactions energy: -973.513 where: short stacking energy: -409.644 Base-Backbone interact. energy: -2.960 local terms energy: -448.265120 where: bonds (distance) C4'-P energy: -82.324 bonds (distance) P-C4' energy: -105.998 flat angles C4'-P-C4' energy: -95.377 flat angles P-C4'-P energy: -65.263 tors. eta vs tors. theta energy: -99.304 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: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1257.470628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.470628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.470628 (E_RNA) where: Base-Base interactions energy: -826.911 where: short stacking energy: -355.689 Base-Backbone interact. energy: -0.961 local terms energy: -429.598111 where: bonds (distance) C4'-P energy: -96.139 bonds (distance) P-C4' energy: -93.150 flat angles C4'-P-C4' energy: -97.506 flat angles P-C4'-P energy: -56.428 tors. eta vs tors. theta energy: -86.374 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: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -901.172557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.172557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.172557 (E_RNA) where: Base-Base interactions energy: -554.380 where: short stacking energy: -241.534 Base-Backbone interact. energy: -0.347 local terms energy: -346.445812 where: bonds (distance) C4'-P energy: -87.449 bonds (distance) P-C4' energy: -104.790 flat angles C4'-P-C4' energy: -89.532 flat angles P-C4'-P energy: -44.182 tors. eta vs tors. theta energy: -20.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -423.203030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.203030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.203030 (E_RNA) where: Base-Base interactions energy: -155.339 where: short stacking energy: -135.113 Base-Backbone interact. energy: 6.740 local terms energy: -274.603659 where: bonds (distance) C4'-P energy: -90.748 bonds (distance) P-C4' energy: -91.342 flat angles C4'-P-C4' energy: -60.159 flat angles P-C4'-P energy: -41.286 tors. eta vs tors. theta energy: 8.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1919.156355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.156355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.156355 (E_RNA) where: Base-Base interactions energy: -1341.155 where: short stacking energy: -587.143 Base-Backbone interact. energy: -3.330 local terms energy: -574.671553 where: bonds (distance) C4'-P energy: -87.287 bonds (distance) P-C4' energy: -103.799 flat angles C4'-P-C4' energy: -131.438 flat angles P-C4'-P energy: -77.018 tors. eta vs tors. theta energy: -175.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1856.600522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.600522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.600522 (E_RNA) where: Base-Base interactions energy: -1272.940 where: short stacking energy: -565.142 Base-Backbone interact. energy: -3.389 local terms energy: -580.271924 where: bonds (distance) C4'-P energy: -107.726 bonds (distance) P-C4' energy: -94.577 flat angles C4'-P-C4' energy: -122.921 flat angles P-C4'-P energy: -90.434 tors. eta vs tors. theta energy: -164.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1807.829861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.829861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.829861 (E_RNA) where: Base-Base interactions energy: -1245.804 where: short stacking energy: -531.820 Base-Backbone interact. energy: -1.810 local terms energy: -560.215658 where: bonds (distance) C4'-P energy: -94.868 bonds (distance) P-C4' energy: -104.186 flat angles C4'-P-C4' energy: -121.060 flat angles P-C4'-P energy: -82.035 tors. eta vs tors. theta energy: -158.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1662.799018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.799018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.799018 (E_RNA) where: Base-Base interactions energy: -1134.292 where: short stacking energy: -490.989 Base-Backbone interact. energy: -0.461 local terms energy: -528.046177 where: bonds (distance) C4'-P energy: -100.651 bonds (distance) P-C4' energy: -104.373 flat angles C4'-P-C4' energy: -109.776 flat angles P-C4'-P energy: -79.157 tors. eta vs tors. theta energy: -134.090 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: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1617.517159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.517159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.517159 (E_RNA) where: Base-Base interactions energy: -1114.958 where: short stacking energy: -479.640 Base-Backbone interact. energy: 0.955 local terms energy: -503.514171 where: bonds (distance) C4'-P energy: -90.016 bonds (distance) P-C4' energy: -97.506 flat angles C4'-P-C4' energy: -115.658 flat angles P-C4'-P energy: -77.786 tors. eta vs tors. theta energy: -122.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1451.618420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.618420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.618420 (E_RNA) where: Base-Base interactions energy: -985.055 where: short stacking energy: -415.920 Base-Backbone interact. energy: 1.641 local terms energy: -468.204716 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -93.540 flat angles C4'-P-C4' energy: -111.934 flat angles P-C4'-P energy: -73.062 tors. eta vs tors. theta energy: -104.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1388.020594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.020594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.020594 (E_RNA) where: Base-Base interactions energy: -930.523 where: short stacking energy: -399.041 Base-Backbone interact. energy: -1.226 local terms energy: -456.271435 where: bonds (distance) C4'-P energy: -110.710 bonds (distance) P-C4' energy: -93.139 flat angles C4'-P-C4' energy: -93.221 flat angles P-C4'-P energy: -46.896 tors. eta vs tors. theta energy: -112.305 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: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1218.515204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.515204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.515204 (E_RNA) where: Base-Base interactions energy: -804.182 where: short stacking energy: -336.319 Base-Backbone interact. energy: -1.793 local terms energy: -412.539657 where: bonds (distance) C4'-P energy: -80.477 bonds (distance) P-C4' energy: -87.825 flat angles C4'-P-C4' energy: -88.706 flat angles P-C4'-P energy: -70.778 tors. eta vs tors. theta energy: -84.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -952.641363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.641363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.641363 (E_RNA) where: Base-Base interactions energy: -589.344 where: short stacking energy: -286.670 Base-Backbone interact. energy: 4.898 local terms energy: -368.195197 where: bonds (distance) C4'-P energy: -86.269 bonds (distance) P-C4' energy: -91.092 flat angles C4'-P-C4' energy: -87.799 flat angles P-C4'-P energy: -58.652 tors. eta vs tors. theta energy: -44.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -462.812822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.812822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.812822 (E_RNA) where: Base-Base interactions energy: -181.725 where: short stacking energy: -132.076 Base-Backbone interact. energy: -1.232 local terms energy: -279.855854 where: bonds (distance) C4'-P energy: -83.858 bonds (distance) P-C4' energy: -73.806 flat angles C4'-P-C4' energy: -84.652 flat angles P-C4'-P energy: -41.212 tors. eta vs tors. theta energy: 3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1936.277666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.277666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.277666 (E_RNA) where: Base-Base interactions energy: -1342.841 where: short stacking energy: -576.877 Base-Backbone interact. energy: -0.824 local terms energy: -592.613263 where: bonds (distance) C4'-P energy: -108.339 bonds (distance) P-C4' energy: -95.310 flat angles C4'-P-C4' energy: -125.264 flat angles P-C4'-P energy: -82.777 tors. eta vs tors. theta energy: -180.922 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: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1852.734645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.734645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.734645 (E_RNA) where: Base-Base interactions energy: -1285.857 where: short stacking energy: -528.450 Base-Backbone interact. energy: 0.872 local terms energy: -567.749058 where: bonds (distance) C4'-P energy: -101.618 bonds (distance) P-C4' energy: -105.645 flat angles C4'-P-C4' energy: -118.304 flat angles P-C4'-P energy: -90.299 tors. eta vs tors. theta energy: -151.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1796.009213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.009213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.009213 (E_RNA) where: Base-Base interactions energy: -1243.036 where: short stacking energy: -535.239 Base-Backbone interact. energy: -1.559 local terms energy: -551.413299 where: bonds (distance) C4'-P energy: -105.737 bonds (distance) P-C4' energy: -101.229 flat angles C4'-P-C4' energy: -113.830 flat angles P-C4'-P energy: -78.383 tors. eta vs tors. theta energy: -152.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1689.455090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.455090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.455090 (E_RNA) where: Base-Base interactions energy: -1144.053 where: short stacking energy: -510.158 Base-Backbone interact. energy: -0.859 local terms energy: -544.543629 where: bonds (distance) C4'-P energy: -103.803 bonds (distance) P-C4' energy: -102.141 flat angles C4'-P-C4' energy: -124.204 flat angles P-C4'-P energy: -73.537 tors. eta vs tors. theta energy: -140.859 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: 1 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1581.380422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.380422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.380422 (E_RNA) where: Base-Base interactions energy: -1106.281 where: short stacking energy: -472.672 Base-Backbone interact. energy: -2.528 local terms energy: -472.572314 where: bonds (distance) C4'-P energy: -89.261 bonds (distance) P-C4' energy: -83.802 flat angles C4'-P-C4' energy: -106.083 flat angles P-C4'-P energy: -64.849 tors. eta vs tors. theta energy: -128.577 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: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1452.811481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.811481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.811481 (E_RNA) where: Base-Base interactions energy: -993.150 where: short stacking energy: -405.726 Base-Backbone interact. energy: 6.523 local terms energy: -466.184496 where: bonds (distance) C4'-P energy: -100.715 bonds (distance) P-C4' energy: -102.642 flat angles C4'-P-C4' energy: -97.008 flat angles P-C4'-P energy: -66.427 tors. eta vs tors. theta energy: -99.393 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: 2 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1395.574046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.574046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.574046 (E_RNA) where: Base-Base interactions energy: -965.135 where: short stacking energy: -420.604 Base-Backbone interact. energy: 0.163 local terms energy: -430.602360 where: bonds (distance) C4'-P energy: -78.131 bonds (distance) P-C4' energy: -96.953 flat angles C4'-P-C4' energy: -95.777 flat angles P-C4'-P energy: -53.689 tors. eta vs tors. theta energy: -106.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1198.836926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.836926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.836926 (E_RNA) where: Base-Base interactions energy: -790.776 where: short stacking energy: -347.914 Base-Backbone interact. energy: -1.700 local terms energy: -406.361271 where: bonds (distance) C4'-P energy: -76.878 bonds (distance) P-C4' energy: -86.113 flat angles C4'-P-C4' energy: -92.858 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -92.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -904.457723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.457723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.457723 (E_RNA) where: Base-Base interactions energy: -548.745 where: short stacking energy: -250.296 Base-Backbone interact. energy: 0.777 local terms energy: -356.490101 where: bonds (distance) C4'-P energy: -86.208 bonds (distance) P-C4' energy: -82.397 flat angles C4'-P-C4' energy: -95.747 flat angles P-C4'-P energy: -54.326 tors. eta vs tors. theta energy: -37.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -406.358582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.358582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.358582 (E_RNA) where: Base-Base interactions energy: -140.879 where: short stacking energy: -101.254 Base-Backbone interact. energy: 0.295 local terms energy: -265.774976 where: bonds (distance) C4'-P energy: -86.117 bonds (distance) P-C4' energy: -79.560 flat angles C4'-P-C4' energy: -81.386 flat angles P-C4'-P energy: -50.055 tors. eta vs tors. theta energy: 31.342 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: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1945.956398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.956398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.956398 (E_RNA) where: Base-Base interactions energy: -1326.486 where: short stacking energy: -573.294 Base-Backbone interact. energy: 1.570 local terms energy: -621.039993 where: bonds (distance) C4'-P energy: -117.107 bonds (distance) P-C4' energy: -103.348 flat angles C4'-P-C4' energy: -128.853 flat angles P-C4'-P energy: -96.146 tors. eta vs tors. theta energy: -175.585 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: 299 Temperature: 0.950000 Total energy: -1892.328491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.328491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.328491 (E_RNA) where: Base-Base interactions energy: -1314.303 where: short stacking energy: -576.712 Base-Backbone interact. energy: -1.804 local terms energy: -576.221635 where: bonds (distance) C4'-P energy: -98.825 bonds (distance) P-C4' energy: -115.993 flat angles C4'-P-C4' energy: -114.334 flat angles P-C4'-P energy: -88.051 tors. eta vs tors. theta energy: -159.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1792.959247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.959247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.959247 (E_RNA) where: Base-Base interactions energy: -1237.947 where: short stacking energy: -531.768 Base-Backbone interact. energy: -1.761 local terms energy: -553.251069 where: bonds (distance) C4'-P energy: -98.417 bonds (distance) P-C4' energy: -92.560 flat angles C4'-P-C4' energy: -122.016 flat angles P-C4'-P energy: -89.364 tors. eta vs tors. theta energy: -150.894 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: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1688.672127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.672127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.672127 (E_RNA) where: Base-Base interactions energy: -1148.709 where: short stacking energy: -512.590 Base-Backbone interact. energy: -1.101 local terms energy: -538.861926 where: bonds (distance) C4'-P energy: -95.588 bonds (distance) P-C4' energy: -100.830 flat angles C4'-P-C4' energy: -115.992 flat angles P-C4'-P energy: -78.511 tors. eta vs tors. theta energy: -147.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1630.589231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.589231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.589231 (E_RNA) where: Base-Base interactions energy: -1133.275 where: short stacking energy: -460.608 Base-Backbone interact. energy: 0.307 local terms energy: -497.620692 where: bonds (distance) C4'-P energy: -93.611 bonds (distance) P-C4' energy: -94.959 flat angles C4'-P-C4' energy: -108.762 flat angles P-C4'-P energy: -69.227 tors. eta vs tors. theta energy: -131.061 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: 299 Temperature: 1.150000 Total energy: -1425.337629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.337629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.337629 (E_RNA) where: Base-Base interactions energy: -965.392 where: short stacking energy: -400.255 Base-Backbone interact. energy: 1.951 local terms energy: -461.896258 where: bonds (distance) C4'-P energy: -92.698 bonds (distance) P-C4' energy: -100.921 flat angles C4'-P-C4' energy: -108.321 flat angles P-C4'-P energy: -65.902 tors. eta vs tors. theta energy: -94.054 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: 4 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1437.938768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.938768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.938768 (E_RNA) where: Base-Base interactions energy: -977.414 where: short stacking energy: -432.068 Base-Backbone interact. energy: 2.333 local terms energy: -462.857954 where: bonds (distance) C4'-P energy: -88.728 bonds (distance) P-C4' energy: -86.372 flat angles C4'-P-C4' energy: -104.255 flat angles P-C4'-P energy: -63.075 tors. eta vs tors. theta energy: -120.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1244.703732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.703732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.703732 (E_RNA) where: Base-Base interactions energy: -833.378 where: short stacking energy: -365.944 Base-Backbone interact. energy: -3.800 local terms energy: -407.525909 where: bonds (distance) C4'-P energy: -96.718 bonds (distance) P-C4' energy: -86.709 flat angles C4'-P-C4' energy: -84.978 flat angles P-C4'-P energy: -50.122 tors. eta vs tors. theta energy: -88.998 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: 299 Temperature: 1.300000 Total energy: -896.176330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.176330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.176330 (E_RNA) where: Base-Base interactions energy: -539.186 where: short stacking energy: -254.445 Base-Backbone interact. energy: -1.538 local terms energy: -355.451445 where: bonds (distance) C4'-P energy: -80.705 bonds (distance) P-C4' energy: -96.811 flat angles C4'-P-C4' energy: -102.307 flat angles P-C4'-P energy: -42.701 tors. eta vs tors. theta energy: -32.928 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: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -453.243573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.243573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.243573 (E_RNA) where: Base-Base interactions energy: -175.484 where: short stacking energy: -165.626 Base-Backbone interact. energy: 7.684 local terms energy: -285.443131 where: bonds (distance) C4'-P energy: -83.119 bonds (distance) P-C4' energy: -105.154 flat angles C4'-P-C4' energy: -57.829 flat angles P-C4'-P energy: -41.533 tors. eta vs tors. theta energy: 2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1937.055708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.055708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.055708 (E_RNA) where: Base-Base interactions energy: -1338.234 where: short stacking energy: -585.690 Base-Backbone interact. energy: -1.662 local terms energy: -597.158874 where: bonds (distance) C4'-P energy: -101.773 bonds (distance) P-C4' energy: -112.082 flat angles C4'-P-C4' energy: -115.794 flat angles P-C4'-P energy: -86.059 tors. eta vs tors. theta energy: -181.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1875.267800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.267800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.267800 (E_RNA) where: Base-Base interactions energy: -1302.678 where: short stacking energy: -547.738 Base-Backbone interact. energy: -1.527 local terms energy: -571.063259 where: bonds (distance) C4'-P energy: -104.315 bonds (distance) P-C4' energy: -106.449 flat angles C4'-P-C4' energy: -120.666 flat angles P-C4'-P energy: -78.084 tors. eta vs tors. theta energy: -161.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1797.900278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.900278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.900278 (E_RNA) where: Base-Base interactions energy: -1260.975 where: short stacking energy: -529.984 Base-Backbone interact. energy: -3.089 local terms energy: -533.836387 where: bonds (distance) C4'-P energy: -91.602 bonds (distance) P-C4' energy: -95.958 flat angles C4'-P-C4' energy: -116.563 flat angles P-C4'-P energy: -80.218 tors. eta vs tors. theta energy: -149.495 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: 10 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1674.175093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.175093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.175093 (E_RNA) where: Base-Base interactions energy: -1132.053 where: short stacking energy: -507.338 Base-Backbone interact. energy: 4.183 local terms energy: -546.304842 where: bonds (distance) C4'-P energy: -97.582 bonds (distance) P-C4' energy: -98.248 flat angles C4'-P-C4' energy: -117.735 flat angles P-C4'-P energy: -85.289 tors. eta vs tors. theta energy: -147.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1606.397179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.397179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.397179 (E_RNA) where: Base-Base interactions energy: -1102.911 where: short stacking energy: -466.726 Base-Backbone interact. energy: 3.570 local terms energy: -507.055828 where: bonds (distance) C4'-P energy: -93.428 bonds (distance) P-C4' energy: -104.287 flat angles C4'-P-C4' energy: -107.134 flat angles P-C4'-P energy: -70.136 tors. eta vs tors. theta energy: -132.072 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: 300 Temperature: 1.150000 Total energy: -1468.968588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.968588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.968588 (E_RNA) where: Base-Base interactions energy: -995.277 where: short stacking energy: -434.853 Base-Backbone interact. energy: -2.373 local terms energy: -471.318371 where: bonds (distance) C4'-P energy: -97.299 bonds (distance) P-C4' energy: -101.918 flat angles C4'-P-C4' energy: -100.513 flat angles P-C4'-P energy: -72.560 tors. eta vs tors. theta energy: -99.029 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: 4 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1359.486202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.486202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.486202 (E_RNA) where: Base-Base interactions energy: -929.233 where: short stacking energy: -384.159 Base-Backbone interact. energy: 0.099 local terms energy: -430.352895 where: bonds (distance) C4'-P energy: -80.112 bonds (distance) P-C4' energy: -95.883 flat angles C4'-P-C4' energy: -116.056 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -90.250 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: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1222.759794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.759794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.759794 (E_RNA) where: Base-Base interactions energy: -801.010 where: short stacking energy: -349.771 Base-Backbone interact. energy: -2.911 local terms energy: -418.838223 where: bonds (distance) C4'-P energy: -106.256 bonds (distance) P-C4' energy: -102.070 flat angles C4'-P-C4' energy: -86.684 flat angles P-C4'-P energy: -54.301 tors. eta vs tors. theta energy: -69.527 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: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -840.038778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.038778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.038778 (E_RNA) where: Base-Base interactions energy: -465.772 where: short stacking energy: -232.561 Base-Backbone interact. energy: -1.162 local terms energy: -373.105228 where: bonds (distance) C4'-P energy: -96.351 bonds (distance) P-C4' energy: -91.152 flat angles C4'-P-C4' energy: -87.299 flat angles P-C4'-P energy: -70.741 tors. eta vs tors. theta energy: -27.562 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: 10, replica: 8 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -413.627818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.627818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.627818 (E_RNA) where: Base-Base interactions energy: -145.052 where: short stacking energy: -118.722 Base-Backbone interact. energy: 5.279 local terms energy: -273.855234 where: bonds (distance) C4'-P energy: -95.869 bonds (distance) P-C4' energy: -97.995 flat angles C4'-P-C4' energy: -52.125 flat angles P-C4'-P energy: -48.048 tors. eta vs tors. theta energy: 20.182 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: 5 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1891.024918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.024918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.024918 (E_RNA) where: Base-Base interactions energy: -1299.201 where: short stacking energy: -549.034 Base-Backbone interact. energy: -0.899 local terms energy: -590.925601 where: bonds (distance) C4'-P energy: -100.072 bonds (distance) P-C4' energy: -116.620 flat angles C4'-P-C4' energy: -116.589 flat angles P-C4'-P energy: -82.282 tors. eta vs tors. theta energy: -175.363 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: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1886.342510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.342510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.342510 (E_RNA) where: Base-Base interactions energy: -1292.302 where: short stacking energy: -547.427 Base-Backbone interact. energy: -4.607 local terms energy: -589.433567 where: bonds (distance) C4'-P energy: -105.730 bonds (distance) P-C4' energy: -115.028 flat angles C4'-P-C4' energy: -122.429 flat angles P-C4'-P energy: -87.053 tors. eta vs tors. theta energy: -159.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1808.733443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.733443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.733443 (E_RNA) where: Base-Base interactions energy: -1263.465 where: short stacking energy: -524.269 Base-Backbone interact. energy: -3.620 local terms energy: -541.648164 where: bonds (distance) C4'-P energy: -97.794 bonds (distance) P-C4' energy: -98.792 flat angles C4'-P-C4' energy: -115.908 flat angles P-C4'-P energy: -80.092 tors. eta vs tors. theta energy: -149.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1695.690021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.690021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.690021 (E_RNA) where: Base-Base interactions energy: -1161.592 where: short stacking energy: -508.132 Base-Backbone interact. energy: -2.371 local terms energy: -531.727107 where: bonds (distance) C4'-P energy: -102.389 bonds (distance) P-C4' energy: -101.746 flat angles C4'-P-C4' energy: -105.435 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -149.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1583.184534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.184534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.184534 (E_RNA) where: Base-Base interactions energy: -1069.120 where: short stacking energy: -445.558 Base-Backbone interact. energy: -2.300 local terms energy: -511.764705 where: bonds (distance) C4'-P energy: -106.600 bonds (distance) P-C4' energy: -101.385 flat angles C4'-P-C4' energy: -108.211 flat angles P-C4'-P energy: -66.543 tors. eta vs tors. theta energy: -129.026 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: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1462.405674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.405674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.405674 (E_RNA) where: Base-Base interactions energy: -972.483 where: short stacking energy: -415.288 Base-Backbone interact. energy: -0.850 local terms energy: -489.072056 where: bonds (distance) C4'-P energy: -89.749 bonds (distance) P-C4' energy: -105.640 flat angles C4'-P-C4' energy: -107.221 flat angles P-C4'-P energy: -71.447 tors. eta vs tors. theta energy: -115.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1388.321970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.321970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.321970 (E_RNA) where: Base-Base interactions energy: -947.726 where: short stacking energy: -403.837 Base-Backbone interact. energy: -2.410 local terms energy: -438.185356 where: bonds (distance) C4'-P energy: -77.595 bonds (distance) P-C4' energy: -87.005 flat angles C4'-P-C4' energy: -99.175 flat angles P-C4'-P energy: -77.639 tors. eta vs tors. theta energy: -96.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1215.802143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.802143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.802143 (E_RNA) where: Base-Base interactions energy: -799.273 where: short stacking energy: -354.586 Base-Backbone interact. energy: 0.983 local terms energy: -417.512322 where: bonds (distance) C4'-P energy: -74.294 bonds (distance) P-C4' energy: -88.041 flat angles C4'-P-C4' energy: -98.122 flat angles P-C4'-P energy: -66.768 tors. eta vs tors. theta energy: -90.288 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: 301 Temperature: 1.300000 Total energy: -880.477381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.477381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.477381 (E_RNA) where: Base-Base interactions energy: -548.057 where: short stacking energy: -255.593 Base-Backbone interact. energy: -2.083 local terms energy: -330.337240 where: bonds (distance) C4'-P energy: -79.920 bonds (distance) P-C4' energy: -86.639 flat angles C4'-P-C4' energy: -86.980 flat angles P-C4'-P energy: -45.521 tors. eta vs tors. theta energy: -31.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -428.840379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.840379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.840379 (E_RNA) where: Base-Base interactions energy: -155.939 where: short stacking energy: -132.540 Base-Backbone interact. energy: -1.653 local terms energy: -271.249037 where: bonds (distance) C4'-P energy: -84.460 bonds (distance) P-C4' energy: -77.369 flat angles C4'-P-C4' energy: -75.690 flat angles P-C4'-P energy: -55.378 tors. eta vs tors. theta energy: 21.647 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: 1, replica: 7 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1951.516770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.516770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.516770 (E_RNA) where: Base-Base interactions energy: -1350.134 where: short stacking energy: -573.164 Base-Backbone interact. energy: -3.123 local terms energy: -598.259232 where: bonds (distance) C4'-P energy: -110.499 bonds (distance) P-C4' energy: -109.656 flat angles C4'-P-C4' energy: -122.858 flat angles P-C4'-P energy: -89.352 tors. eta vs tors. theta energy: -165.895 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: 2, replica: 5 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1854.486534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.486534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.486534 (E_RNA) where: Base-Base interactions energy: -1279.060 where: short stacking energy: -560.674 Base-Backbone interact. energy: -3.335 local terms energy: -572.091731 where: bonds (distance) C4'-P energy: -97.492 bonds (distance) P-C4' energy: -100.285 flat angles C4'-P-C4' energy: -124.620 flat angles P-C4'-P energy: -82.376 tors. eta vs tors. theta energy: -167.319 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: 3 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1824.330456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.330456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.330456 (E_RNA) where: Base-Base interactions energy: -1269.183 where: short stacking energy: -529.818 Base-Backbone interact. energy: -1.536 local terms energy: -553.611690 where: bonds (distance) C4'-P energy: -108.643 bonds (distance) P-C4' energy: -95.895 flat angles C4'-P-C4' energy: -121.803 flat angles P-C4'-P energy: -79.877 tors. eta vs tors. theta energy: -147.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1680.914355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.914355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.914355 (E_RNA) where: Base-Base interactions energy: -1143.634 where: short stacking energy: -485.202 Base-Backbone interact. energy: -3.235 local terms energy: -534.044937 where: bonds (distance) C4'-P energy: -102.670 bonds (distance) P-C4' energy: -101.005 flat angles C4'-P-C4' energy: -111.204 flat angles P-C4'-P energy: -76.327 tors. eta vs tors. theta energy: -142.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1507.875123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.875123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.875123 (E_RNA) where: Base-Base interactions energy: -1014.549 where: short stacking energy: -442.320 Base-Backbone interact. energy: -1.192 local terms energy: -492.134227 where: bonds (distance) C4'-P energy: -91.122 bonds (distance) P-C4' energy: -106.500 flat angles C4'-P-C4' energy: -98.952 flat angles P-C4'-P energy: -79.299 tors. eta vs tors. theta energy: -116.263 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: 1 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1529.045468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.045468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.045468 (E_RNA) where: Base-Base interactions energy: -1058.861 where: short stacking energy: -433.265 Base-Backbone interact. energy: 5.550 local terms energy: -475.734582 where: bonds (distance) C4'-P energy: -94.106 bonds (distance) P-C4' energy: -82.939 flat angles C4'-P-C4' energy: -113.986 flat angles P-C4'-P energy: -70.959 tors. eta vs tors. theta energy: -113.745 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: 7, replica: 4 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1404.796532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.796532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.796532 (E_RNA) where: Base-Base interactions energy: -974.394 where: short stacking energy: -402.324 Base-Backbone interact. energy: 4.439 local terms energy: -434.841918 where: bonds (distance) C4'-P energy: -90.166 bonds (distance) P-C4' energy: -96.582 flat angles C4'-P-C4' energy: -103.739 flat angles P-C4'-P energy: -37.804 tors. eta vs tors. theta energy: -106.551 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: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1193.824452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.824452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.824452 (E_RNA) where: Base-Base interactions energy: -770.392 where: short stacking energy: -321.968 Base-Backbone interact. energy: -2.495 local terms energy: -420.938253 where: bonds (distance) C4'-P energy: -73.633 bonds (distance) P-C4' energy: -101.744 flat angles C4'-P-C4' energy: -100.712 flat angles P-C4'-P energy: -62.694 tors. eta vs tors. theta energy: -82.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -832.020706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.020706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.020706 (E_RNA) where: Base-Base interactions energy: -493.154 where: short stacking energy: -220.635 Base-Backbone interact. energy: 0.723 local terms energy: -339.589581 where: bonds (distance) C4'-P energy: -93.451 bonds (distance) P-C4' energy: -105.470 flat angles C4'-P-C4' energy: -82.768 flat angles P-C4'-P energy: -44.772 tors. eta vs tors. theta energy: -13.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -439.417338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.417338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.417338 (E_RNA) where: Base-Base interactions energy: -144.286 where: short stacking energy: -129.489 Base-Backbone interact. energy: 0.870 local terms energy: -296.001657 where: bonds (distance) C4'-P energy: -67.330 bonds (distance) P-C4' energy: -111.500 flat angles C4'-P-C4' energy: -78.128 flat angles P-C4'-P energy: -34.771 tors. eta vs tors. theta energy: -4.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1957.975002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.975002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.975002 (E_RNA) where: Base-Base interactions energy: -1366.691 where: short stacking energy: -562.338 Base-Backbone interact. energy: -1.338 local terms energy: -589.946413 where: bonds (distance) C4'-P energy: -107.446 bonds (distance) P-C4' energy: -110.414 flat angles C4'-P-C4' energy: -112.597 flat angles P-C4'-P energy: -90.285 tors. eta vs tors. theta energy: -169.205 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: 303 Temperature: 0.950000 Total energy: -1883.229626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.229626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.229626 (E_RNA) where: Base-Base interactions energy: -1309.646 where: short stacking energy: -561.132 Base-Backbone interact. energy: -3.321 local terms energy: -570.262198 where: bonds (distance) C4'-P energy: -90.711 bonds (distance) P-C4' energy: -106.111 flat angles C4'-P-C4' energy: -119.405 flat angles P-C4'-P energy: -74.541 tors. eta vs tors. theta energy: -179.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1767.992553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.992553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.992553 (E_RNA) where: Base-Base interactions energy: -1205.004 where: short stacking energy: -513.968 Base-Backbone interact. energy: -2.541 local terms energy: -560.448024 where: bonds (distance) C4'-P energy: -95.968 bonds (distance) P-C4' energy: -111.913 flat angles C4'-P-C4' energy: -123.151 flat angles P-C4'-P energy: -71.436 tors. eta vs tors. theta energy: -157.980 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: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1721.650382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.650382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.650382 (E_RNA) where: Base-Base interactions energy: -1189.057 where: short stacking energy: -505.045 Base-Backbone interact. energy: -1.352 local terms energy: -531.241276 where: bonds (distance) C4'-P energy: -93.377 bonds (distance) P-C4' energy: -103.487 flat angles C4'-P-C4' energy: -118.833 flat angles P-C4'-P energy: -78.879 tors. eta vs tors. theta energy: -136.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1544.047066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.047066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.047066 (E_RNA) where: Base-Base interactions energy: -1059.168 where: short stacking energy: -454.888 Base-Backbone interact. energy: -0.935 local terms energy: -483.944385 where: bonds (distance) C4'-P energy: -93.512 bonds (distance) P-C4' energy: -79.642 flat angles C4'-P-C4' energy: -99.464 flat angles P-C4'-P energy: -76.957 tors. eta vs tors. theta energy: -134.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1534.024905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.024905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.024905 (E_RNA) where: Base-Base interactions energy: -1053.204 where: short stacking energy: -447.935 Base-Backbone interact. energy: -2.176 local terms energy: -478.644418 where: bonds (distance) C4'-P energy: -100.017 bonds (distance) P-C4' energy: -92.805 flat angles C4'-P-C4' energy: -95.991 flat angles P-C4'-P energy: -65.792 tors. eta vs tors. theta energy: -124.039 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: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1434.736107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.736107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.736107 (E_RNA) where: Base-Base interactions energy: -948.903 where: short stacking energy: -406.288 Base-Backbone interact. energy: 2.014 local terms energy: -487.847015 where: bonds (distance) C4'-P energy: -93.869 bonds (distance) P-C4' energy: -108.031 flat angles C4'-P-C4' energy: -106.375 flat angles P-C4'-P energy: -69.868 tors. eta vs tors. theta energy: -109.704 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: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1192.893425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.893425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.893425 (E_RNA) where: Base-Base interactions energy: -767.639 where: short stacking energy: -336.685 Base-Backbone interact. energy: 0.830 local terms energy: -426.085256 where: bonds (distance) C4'-P energy: -75.226 bonds (distance) P-C4' energy: -92.875 flat angles C4'-P-C4' energy: -105.868 flat angles P-C4'-P energy: -69.402 tors. eta vs tors. theta energy: -82.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -817.207400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.207400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.207400 (E_RNA) where: Base-Base interactions energy: -450.445 where: short stacking energy: -229.259 Base-Backbone interact. energy: 1.840 local terms energy: -368.603186 where: bonds (distance) C4'-P energy: -86.523 bonds (distance) P-C4' energy: -104.488 flat angles C4'-P-C4' energy: -72.198 flat angles P-C4'-P energy: -65.379 tors. eta vs tors. theta energy: -40.015 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: 8 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -419.371362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.371362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.371362 (E_RNA) where: Base-Base interactions energy: -143.986 where: short stacking energy: -118.002 Base-Backbone interact. energy: -2.940 local terms energy: -272.445553 where: bonds (distance) C4'-P energy: -75.795 bonds (distance) P-C4' energy: -75.696 flat angles C4'-P-C4' energy: -80.325 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: 7.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1944.670714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.670714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.670714 (E_RNA) where: Base-Base interactions energy: -1337.208 where: short stacking energy: -561.938 Base-Backbone interact. energy: -3.533 local terms energy: -603.930221 where: bonds (distance) C4'-P energy: -121.622 bonds (distance) P-C4' energy: -109.176 flat angles C4'-P-C4' energy: -122.567 flat angles P-C4'-P energy: -82.170 tors. eta vs tors. theta energy: -168.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1857.213985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.213985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.213985 (E_RNA) where: Base-Base interactions energy: -1276.561 where: short stacking energy: -551.585 Base-Backbone interact. energy: -2.098 local terms energy: -578.554906 where: bonds (distance) C4'-P energy: -113.140 bonds (distance) P-C4' energy: -106.840 flat angles C4'-P-C4' energy: -114.069 flat angles P-C4'-P energy: -77.913 tors. eta vs tors. theta energy: -166.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1767.157019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.157019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.157019 (E_RNA) where: Base-Base interactions energy: -1209.029 where: short stacking energy: -529.988 Base-Backbone interact. energy: 0.204 local terms energy: -558.332184 where: bonds (distance) C4'-P energy: -104.314 bonds (distance) P-C4' energy: -100.019 flat angles C4'-P-C4' energy: -120.312 flat angles P-C4'-P energy: -87.056 tors. eta vs tors. theta energy: -146.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1743.734895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.734895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.734895 (E_RNA) where: Base-Base interactions energy: -1199.798 where: short stacking energy: -533.465 Base-Backbone interact. energy: 4.782 local terms energy: -548.719012 where: bonds (distance) C4'-P energy: -93.955 bonds (distance) P-C4' energy: -103.958 flat angles C4'-P-C4' energy: -119.414 flat angles P-C4'-P energy: -79.720 tors. eta vs tors. theta energy: -151.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1497.126612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.126612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.126612 (E_RNA) where: Base-Base interactions energy: -1010.738 where: short stacking energy: -420.415 Base-Backbone interact. energy: -1.006 local terms energy: -485.383169 where: bonds (distance) C4'-P energy: -99.125 bonds (distance) P-C4' energy: -92.571 flat angles C4'-P-C4' energy: -106.906 flat angles P-C4'-P energy: -74.543 tors. eta vs tors. theta energy: -112.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1553.242351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.242351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.242351 (E_RNA) where: Base-Base interactions energy: -1067.875 where: short stacking energy: -453.439 Base-Backbone interact. energy: -0.706 local terms energy: -484.661586 where: bonds (distance) C4'-P energy: -88.222 bonds (distance) P-C4' energy: -101.736 flat angles C4'-P-C4' energy: -119.438 flat angles P-C4'-P energy: -60.949 tors. eta vs tors. theta energy: -114.316 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: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1393.519229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.519229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.519229 (E_RNA) where: Base-Base interactions energy: -960.284 where: short stacking energy: -391.249 Base-Backbone interact. energy: -0.806 local terms energy: -432.429002 where: bonds (distance) C4'-P energy: -78.607 bonds (distance) P-C4' energy: -95.736 flat angles C4'-P-C4' energy: -103.240 flat angles P-C4'-P energy: -62.112 tors. eta vs tors. theta energy: -92.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1210.152017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.152017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.152017 (E_RNA) where: Base-Base interactions energy: -781.121 where: short stacking energy: -357.717 Base-Backbone interact. energy: -2.675 local terms energy: -426.355566 where: bonds (distance) C4'-P energy: -77.490 bonds (distance) P-C4' energy: -96.596 flat angles C4'-P-C4' energy: -86.849 flat angles P-C4'-P energy: -69.559 tors. eta vs tors. theta energy: -95.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -833.588983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.588983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.588983 (E_RNA) where: Base-Base interactions energy: -479.811 where: short stacking energy: -225.622 Base-Backbone interact. energy: -2.266 local terms energy: -351.512486 where: bonds (distance) C4'-P energy: -88.902 bonds (distance) P-C4' energy: -83.513 flat angles C4'-P-C4' energy: -94.185 flat angles P-C4'-P energy: -51.449 tors. eta vs tors. theta energy: -33.464 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: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -434.066298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.066298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.066298 (E_RNA) where: Base-Base interactions energy: -149.004 where: short stacking energy: -105.792 Base-Backbone interact. energy: -0.978 local terms energy: -284.084406 where: bonds (distance) C4'-P energy: -99.411 bonds (distance) P-C4' energy: -92.454 flat angles C4'-P-C4' energy: -55.548 flat angles P-C4'-P energy: -50.493 tors. eta vs tors. theta energy: 13.822 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: 7 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1940.880499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.880499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.880499 (E_RNA) where: Base-Base interactions energy: -1345.615 where: short stacking energy: -577.384 Base-Backbone interact. energy: -2.035 local terms energy: -593.230799 where: bonds (distance) C4'-P energy: -110.736 bonds (distance) P-C4' energy: -109.730 flat angles C4'-P-C4' energy: -116.568 flat angles P-C4'-P energy: -84.662 tors. eta vs tors. theta energy: -171.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1871.356569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.356569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.356569 (E_RNA) where: Base-Base interactions energy: -1292.804 where: short stacking energy: -560.754 Base-Backbone interact. energy: -2.267 local terms energy: -576.285580 where: bonds (distance) C4'-P energy: -102.176 bonds (distance) P-C4' energy: -104.376 flat angles C4'-P-C4' energy: -120.369 flat angles P-C4'-P energy: -72.543 tors. eta vs tors. theta energy: -176.822 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: 3 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1779.905754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.905754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.905754 (E_RNA) where: Base-Base interactions energy: -1234.177 where: short stacking energy: -526.744 Base-Backbone interact. energy: -1.834 local terms energy: -543.894811 where: bonds (distance) C4'-P energy: -100.839 bonds (distance) P-C4' energy: -94.517 flat angles C4'-P-C4' energy: -129.221 flat angles P-C4'-P energy: -57.395 tors. eta vs tors. theta energy: -161.923 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: 10 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1659.154203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.154203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.154203 (E_RNA) where: Base-Base interactions energy: -1120.393 where: short stacking energy: -495.213 Base-Backbone interact. energy: -3.885 local terms energy: -534.875459 where: bonds (distance) C4'-P energy: -90.093 bonds (distance) P-C4' energy: -94.207 flat angles C4'-P-C4' energy: -122.189 flat angles P-C4'-P energy: -79.263 tors. eta vs tors. theta energy: -149.124 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: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1490.208895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.208895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.208895 (E_RNA) where: Base-Base interactions energy: -1001.133 where: short stacking energy: -421.015 Base-Backbone interact. energy: -0.676 local terms energy: -488.400718 where: bonds (distance) C4'-P energy: -102.258 bonds (distance) P-C4' energy: -101.425 flat angles C4'-P-C4' energy: -116.467 flat angles P-C4'-P energy: -68.855 tors. eta vs tors. theta energy: -99.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1500.535973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.535973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.535973 (E_RNA) where: Base-Base interactions energy: -1021.605 where: short stacking energy: -439.765 Base-Backbone interact. energy: 1.983 local terms energy: -480.914144 where: bonds (distance) C4'-P energy: -89.609 bonds (distance) P-C4' energy: -104.538 flat angles C4'-P-C4' energy: -111.460 flat angles P-C4'-P energy: -59.042 tors. eta vs tors. theta energy: -116.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1393.167267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.167267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.167267 (E_RNA) where: Base-Base interactions energy: -940.289 where: short stacking energy: -393.692 Base-Backbone interact. energy: -1.281 local terms energy: -451.597250 where: bonds (distance) C4'-P energy: -99.000 bonds (distance) P-C4' energy: -104.127 flat angles C4'-P-C4' energy: -99.076 flat angles P-C4'-P energy: -45.813 tors. eta vs tors. theta energy: -103.581 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: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1204.543455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.543455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.543455 (E_RNA) where: Base-Base interactions energy: -784.163 where: short stacking energy: -348.705 Base-Backbone interact. energy: 1.037 local terms energy: -421.418163 where: bonds (distance) C4'-P energy: -86.362 bonds (distance) P-C4' energy: -99.486 flat angles C4'-P-C4' energy: -89.170 flat angles P-C4'-P energy: -59.691 tors. eta vs tors. theta energy: -86.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -866.721460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.721460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.721460 (E_RNA) where: Base-Base interactions energy: -527.567 where: short stacking energy: -247.658 Base-Backbone interact. energy: 2.269 local terms energy: -341.424058 where: bonds (distance) C4'-P energy: -100.769 bonds (distance) P-C4' energy: -73.922 flat angles C4'-P-C4' energy: -81.341 flat angles P-C4'-P energy: -56.739 tors. eta vs tors. theta energy: -28.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -433.011026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.011026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.011026 (E_RNA) where: Base-Base interactions energy: -146.715 where: short stacking energy: -118.492 Base-Backbone interact. energy: -2.610 local terms energy: -283.685186 where: bonds (distance) C4'-P energy: -98.295 bonds (distance) P-C4' energy: -90.548 flat angles C4'-P-C4' energy: -81.340 flat angles P-C4'-P energy: -40.909 tors. eta vs tors. theta energy: 27.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1970.709052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.709052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.709052 (E_RNA) where: Base-Base interactions energy: -1359.932 where: short stacking energy: -581.912 Base-Backbone interact. energy: -3.192 local terms energy: -607.585196 where: bonds (distance) C4'-P energy: -114.901 bonds (distance) P-C4' energy: -106.363 flat angles C4'-P-C4' energy: -116.514 flat angles P-C4'-P energy: -97.538 tors. eta vs tors. theta energy: -172.268 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: 306 Temperature: 0.950000 Total energy: -1872.689552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.689552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.689552 (E_RNA) where: Base-Base interactions energy: -1284.473 where: short stacking energy: -579.924 Base-Backbone interact. energy: -1.131 local terms energy: -587.085252 where: bonds (distance) C4'-P energy: -100.111 bonds (distance) P-C4' energy: -105.701 flat angles C4'-P-C4' energy: -124.967 flat angles P-C4'-P energy: -77.396 tors. eta vs tors. theta energy: -178.909 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: 3 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1780.914827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.914827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.914827 (E_RNA) where: Base-Base interactions energy: -1203.724 where: short stacking energy: -512.081 Base-Backbone interact. energy: -3.484 local terms energy: -573.707209 where: bonds (distance) C4'-P energy: -107.990 bonds (distance) P-C4' energy: -113.728 flat angles C4'-P-C4' energy: -119.909 flat angles P-C4'-P energy: -76.909 tors. eta vs tors. theta energy: -155.171 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: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1666.595657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.595657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.595657 (E_RNA) where: Base-Base interactions energy: -1130.326 where: short stacking energy: -512.630 Base-Backbone interact. energy: 0.626 local terms energy: -536.896470 where: bonds (distance) C4'-P energy: -87.351 bonds (distance) P-C4' energy: -102.320 flat angles C4'-P-C4' energy: -122.492 flat angles P-C4'-P energy: -73.790 tors. eta vs tors. theta energy: -150.944 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: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1558.520884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.520884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.520884 (E_RNA) where: Base-Base interactions energy: -1068.257 where: short stacking energy: -458.129 Base-Backbone interact. energy: 0.301 local terms energy: -490.565395 where: bonds (distance) C4'-P energy: -85.190 bonds (distance) P-C4' energy: -104.572 flat angles C4'-P-C4' energy: -108.872 flat angles P-C4'-P energy: -78.629 tors. eta vs tors. theta energy: -113.302 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: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1409.496895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.496895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.496895 (E_RNA) where: Base-Base interactions energy: -951.953 where: short stacking energy: -410.199 Base-Backbone interact. energy: 2.387 local terms energy: -459.931207 where: bonds (distance) C4'-P energy: -93.343 bonds (distance) P-C4' energy: -94.449 flat angles C4'-P-C4' energy: -93.534 flat angles P-C4'-P energy: -73.143 tors. eta vs tors. theta energy: -105.462 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: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1383.918942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.918942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.918942 (E_RNA) where: Base-Base interactions energy: -917.707 where: short stacking energy: -393.884 Base-Backbone interact. energy: -2.635 local terms energy: -463.577331 where: bonds (distance) C4'-P energy: -78.868 bonds (distance) P-C4' energy: -87.988 flat angles C4'-P-C4' energy: -99.950 flat angles P-C4'-P energy: -75.080 tors. eta vs tors. theta energy: -121.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1255.418133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.418133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.418133 (E_RNA) where: Base-Base interactions energy: -853.721 where: short stacking energy: -375.754 Base-Backbone interact. energy: -2.593 local terms energy: -399.104946 where: bonds (distance) C4'-P energy: -72.757 bonds (distance) P-C4' energy: -100.080 flat angles C4'-P-C4' energy: -87.798 flat angles P-C4'-P energy: -53.016 tors. eta vs tors. theta energy: -85.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -880.625606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.625606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.625606 (E_RNA) where: Base-Base interactions energy: -543.767 where: short stacking energy: -256.337 Base-Backbone interact. energy: -0.932 local terms energy: -335.927074 where: bonds (distance) C4'-P energy: -80.489 bonds (distance) P-C4' energy: -90.264 flat angles C4'-P-C4' energy: -80.449 flat angles P-C4'-P energy: -50.340 tors. eta vs tors. theta energy: -34.385 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: 8 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -464.065989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.065989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.065989 (E_RNA) where: Base-Base interactions energy: -202.309 where: short stacking energy: -127.688 Base-Backbone interact. energy: 2.345 local terms energy: -264.102649 where: bonds (distance) C4'-P energy: -91.604 bonds (distance) P-C4' energy: -98.071 flat angles C4'-P-C4' energy: -62.451 flat angles P-C4'-P energy: -35.905 tors. eta vs tors. theta energy: 23.928 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: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1933.466003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.466003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.466003 (E_RNA) where: Base-Base interactions energy: -1356.649 where: short stacking energy: -558.903 Base-Backbone interact. energy: -2.795 local terms energy: -574.022797 where: bonds (distance) C4'-P energy: -102.570 bonds (distance) P-C4' energy: -89.741 flat angles C4'-P-C4' energy: -128.284 flat angles P-C4'-P energy: -95.854 tors. eta vs tors. theta energy: -157.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1894.246351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.246351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.246351 (E_RNA) where: Base-Base interactions energy: -1307.295 where: short stacking energy: -573.429 Base-Backbone interact. energy: -2.688 local terms energy: -584.262651 where: bonds (distance) C4'-P energy: -103.202 bonds (distance) P-C4' energy: -98.801 flat angles C4'-P-C4' energy: -128.296 flat angles P-C4'-P energy: -75.524 tors. eta vs tors. theta energy: -178.439 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: 3 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1774.838113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.838113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.838113 (E_RNA) where: Base-Base interactions energy: -1215.988 where: short stacking energy: -524.988 Base-Backbone interact. energy: 1.187 local terms energy: -560.037241 where: bonds (distance) C4'-P energy: -102.970 bonds (distance) P-C4' energy: -108.366 flat angles C4'-P-C4' energy: -120.722 flat angles P-C4'-P energy: -79.082 tors. eta vs tors. theta energy: -148.898 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: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1664.927588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.927588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.927588 (E_RNA) where: Base-Base interactions energy: -1125.576 where: short stacking energy: -504.662 Base-Backbone interact. energy: 0.436 local terms energy: -539.787984 where: bonds (distance) C4'-P energy: -104.389 bonds (distance) P-C4' energy: -109.309 flat angles C4'-P-C4' energy: -109.806 flat angles P-C4'-P energy: -72.583 tors. eta vs tors. theta energy: -143.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1594.586551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.586551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.586551 (E_RNA) where: Base-Base interactions energy: -1079.505 where: short stacking energy: -443.248 Base-Backbone interact. energy: -0.934 local terms energy: -514.147507 where: bonds (distance) C4'-P energy: -100.133 bonds (distance) P-C4' energy: -97.252 flat angles C4'-P-C4' energy: -115.418 flat angles P-C4'-P energy: -75.145 tors. eta vs tors. theta energy: -126.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1436.514434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.514434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.514434 (E_RNA) where: Base-Base interactions energy: -960.549 where: short stacking energy: -406.495 Base-Backbone interact. energy: 1.667 local terms energy: -477.631807 where: bonds (distance) C4'-P energy: -92.507 bonds (distance) P-C4' energy: -97.578 flat angles C4'-P-C4' energy: -110.402 flat angles P-C4'-P energy: -73.666 tors. eta vs tors. theta energy: -103.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1385.059515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.059515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.059515 (E_RNA) where: Base-Base interactions energy: -932.317 where: short stacking energy: -408.249 Base-Backbone interact. energy: -0.509 local terms energy: -452.233599 where: bonds (distance) C4'-P energy: -79.216 bonds (distance) P-C4' energy: -95.023 flat angles C4'-P-C4' energy: -104.918 flat angles P-C4'-P energy: -72.708 tors. eta vs tors. theta energy: -100.369 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: 8, replica: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1213.984935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.984935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.984935 (E_RNA) where: Base-Base interactions energy: -810.246 where: short stacking energy: -339.359 Base-Backbone interact. energy: 3.052 local terms energy: -406.791260 where: bonds (distance) C4'-P energy: -87.537 bonds (distance) P-C4' energy: -79.321 flat angles C4'-P-C4' energy: -106.597 flat angles P-C4'-P energy: -56.283 tors. eta vs tors. theta energy: -77.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -941.402785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.402785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.402785 (E_RNA) where: Base-Base interactions energy: -562.449 where: short stacking energy: -246.416 Base-Backbone interact. energy: -1.203 local terms energy: -377.751425 where: bonds (distance) C4'-P energy: -104.249 bonds (distance) P-C4' energy: -89.131 flat angles C4'-P-C4' energy: -92.551 flat angles P-C4'-P energy: -51.243 tors. eta vs tors. theta energy: -40.579 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: 8 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -423.982010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.982010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.982010 (E_RNA) where: Base-Base interactions energy: -155.342 where: short stacking energy: -110.780 Base-Backbone interact. energy: -0.331 local terms energy: -268.309734 where: bonds (distance) C4'-P energy: -83.885 bonds (distance) P-C4' energy: -91.195 flat angles C4'-P-C4' energy: -67.573 flat angles P-C4'-P energy: -53.713 tors. eta vs tors. theta energy: 28.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1898.305621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.305621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.305621 (E_RNA) where: Base-Base interactions energy: -1286.721 where: short stacking energy: -574.451 Base-Backbone interact. energy: -1.990 local terms energy: -609.594419 where: bonds (distance) C4'-P energy: -102.855 bonds (distance) P-C4' energy: -111.547 flat angles C4'-P-C4' energy: -127.613 flat angles P-C4'-P energy: -88.781 tors. eta vs tors. theta energy: -178.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1924.772141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.772141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.772141 (E_RNA) where: Base-Base interactions energy: -1334.435 where: short stacking energy: -572.811 Base-Backbone interact. energy: 1.109 local terms energy: -591.445629 where: bonds (distance) C4'-P energy: -111.046 bonds (distance) P-C4' energy: -115.974 flat angles C4'-P-C4' energy: -120.260 flat angles P-C4'-P energy: -80.177 tors. eta vs tors. theta energy: -163.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1764.843244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.843244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.843244 (E_RNA) where: Base-Base interactions energy: -1216.389 where: short stacking energy: -508.765 Base-Backbone interact. energy: -1.097 local terms energy: -547.356727 where: bonds (distance) C4'-P energy: -100.506 bonds (distance) P-C4' energy: -106.434 flat angles C4'-P-C4' energy: -120.056 flat angles P-C4'-P energy: -78.265 tors. eta vs tors. theta energy: -142.096 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: 4, replica: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1670.613259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.613259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.613259 (E_RNA) where: Base-Base interactions energy: -1118.860 where: short stacking energy: -471.779 Base-Backbone interact. energy: -2.360 local terms energy: -549.393811 where: bonds (distance) C4'-P energy: -103.088 bonds (distance) P-C4' energy: -102.346 flat angles C4'-P-C4' energy: -106.018 flat angles P-C4'-P energy: -91.830 tors. eta vs tors. theta energy: -146.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1574.000084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.000084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.000084 (E_RNA) where: Base-Base interactions energy: -1089.042 where: short stacking energy: -443.725 Base-Backbone interact. energy: 0.291 local terms energy: -485.249540 where: bonds (distance) C4'-P energy: -98.290 bonds (distance) P-C4' energy: -96.591 flat angles C4'-P-C4' energy: -111.336 flat angles P-C4'-P energy: -62.474 tors. eta vs tors. theta energy: -116.559 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: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1411.585369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.585369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.585369 (E_RNA) where: Base-Base interactions energy: -943.214 where: short stacking energy: -397.286 Base-Backbone interact. energy: -1.819 local terms energy: -466.552092 where: bonds (distance) C4'-P energy: -92.310 bonds (distance) P-C4' energy: -99.017 flat angles C4'-P-C4' energy: -112.275 flat angles P-C4'-P energy: -57.697 tors. eta vs tors. theta energy: -105.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1392.928103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.928103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.928103 (E_RNA) where: Base-Base interactions energy: -948.786 where: short stacking energy: -418.997 Base-Backbone interact. energy: -2.722 local terms energy: -441.419697 where: bonds (distance) C4'-P energy: -84.349 bonds (distance) P-C4' energy: -81.083 flat angles C4'-P-C4' energy: -99.358 flat angles P-C4'-P energy: -64.222 tors. eta vs tors. theta energy: -112.408 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: 6 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1244.208869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.208869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.208869 (E_RNA) where: Base-Base interactions energy: -807.861 where: short stacking energy: -346.658 Base-Backbone interact. energy: 0.635 local terms energy: -436.982824 where: bonds (distance) C4'-P energy: -100.404 bonds (distance) P-C4' energy: -93.092 flat angles C4'-P-C4' energy: -97.675 flat angles P-C4'-P energy: -66.416 tors. eta vs tors. theta energy: -79.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1023.257215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.257215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.257215 (E_RNA) where: Base-Base interactions energy: -654.839 where: short stacking energy: -288.467 Base-Backbone interact. energy: 1.175 local terms energy: -369.593255 where: bonds (distance) C4'-P energy: -75.997 bonds (distance) P-C4' energy: -88.487 flat angles C4'-P-C4' energy: -95.649 flat angles P-C4'-P energy: -55.667 tors. eta vs tors. theta energy: -53.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -412.813681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.813681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.813681 (E_RNA) where: Base-Base interactions energy: -167.201 where: short stacking energy: -137.077 Base-Backbone interact. energy: 1.162 local terms energy: -246.775372 where: bonds (distance) C4'-P energy: -83.294 bonds (distance) P-C4' energy: -95.667 flat angles C4'-P-C4' energy: -42.052 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: 27.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1917.840800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.840800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.840800 (E_RNA) where: Base-Base interactions energy: -1312.907 where: short stacking energy: -582.997 Base-Backbone interact. energy: 0.067 local terms energy: -605.001190 where: bonds (distance) C4'-P energy: -106.204 bonds (distance) P-C4' energy: -109.684 flat angles C4'-P-C4' energy: -125.703 flat angles P-C4'-P energy: -87.117 tors. eta vs tors. theta energy: -176.294 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: 2, replica: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1904.317802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.317802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.317802 (E_RNA) where: Base-Base interactions energy: -1298.444 where: short stacking energy: -554.325 Base-Backbone interact. energy: 1.437 local terms energy: -607.310568 where: bonds (distance) C4'-P energy: -108.331 bonds (distance) P-C4' energy: -110.527 flat angles C4'-P-C4' energy: -132.444 flat angles P-C4'-P energy: -84.892 tors. eta vs tors. theta energy: -171.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1784.682370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.682370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.682370 (E_RNA) where: Base-Base interactions energy: -1228.881 where: short stacking energy: -534.038 Base-Backbone interact. energy: -1.790 local terms energy: -554.011064 where: bonds (distance) C4'-P energy: -108.706 bonds (distance) P-C4' energy: -91.400 flat angles C4'-P-C4' energy: -123.562 flat angles P-C4'-P energy: -77.726 tors. eta vs tors. theta energy: -152.617 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: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1681.785018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.785018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.785018 (E_RNA) where: Base-Base interactions energy: -1145.195 where: short stacking energy: -495.501 Base-Backbone interact. energy: 4.108 local terms energy: -540.697315 where: bonds (distance) C4'-P energy: -106.869 bonds (distance) P-C4' energy: -107.320 flat angles C4'-P-C4' energy: -121.779 flat angles P-C4'-P energy: -63.707 tors. eta vs tors. theta energy: -141.022 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: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1595.488494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.488494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.488494 (E_RNA) where: Base-Base interactions energy: -1081.096 where: short stacking energy: -449.353 Base-Backbone interact. energy: 0.265 local terms energy: -514.657933 where: bonds (distance) C4'-P energy: -98.604 bonds (distance) P-C4' energy: -110.467 flat angles C4'-P-C4' energy: -105.698 flat angles P-C4'-P energy: -75.867 tors. eta vs tors. theta energy: -124.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1414.267719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.267719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.267719 (E_RNA) where: Base-Base interactions energy: -975.586 where: short stacking energy: -403.955 Base-Backbone interact. energy: 2.518 local terms energy: -441.199269 where: bonds (distance) C4'-P energy: -93.933 bonds (distance) P-C4' energy: -100.081 flat angles C4'-P-C4' energy: -104.680 flat angles P-C4'-P energy: -50.207 tors. eta vs tors. theta energy: -92.298 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: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1404.322284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.322284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.322284 (E_RNA) where: Base-Base interactions energy: -937.639 where: short stacking energy: -399.915 Base-Backbone interact. energy: 1.480 local terms energy: -468.163161 where: bonds (distance) C4'-P energy: -91.601 bonds (distance) P-C4' energy: -97.610 flat angles C4'-P-C4' energy: -107.250 flat angles P-C4'-P energy: -68.342 tors. eta vs tors. theta energy: -103.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1241.895014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.895014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.895014 (E_RNA) where: Base-Base interactions energy: -817.989 where: short stacking energy: -357.136 Base-Backbone interact. energy: 3.182 local terms energy: -427.088511 where: bonds (distance) C4'-P energy: -94.281 bonds (distance) P-C4' energy: -78.754 flat angles C4'-P-C4' energy: -106.901 flat angles P-C4'-P energy: -65.671 tors. eta vs tors. theta energy: -81.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -910.278872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.278872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.278872 (E_RNA) where: Base-Base interactions energy: -570.424 where: short stacking energy: -274.058 Base-Backbone interact. energy: 4.398 local terms energy: -344.253388 where: bonds (distance) C4'-P energy: -86.137 bonds (distance) P-C4' energy: -93.842 flat angles C4'-P-C4' energy: -81.342 flat angles P-C4'-P energy: -50.333 tors. eta vs tors. theta energy: -32.600 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: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -475.931173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.931173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.931173 (E_RNA) where: Base-Base interactions energy: -190.471 where: short stacking energy: -133.026 Base-Backbone interact. energy: -3.080 local terms energy: -282.379327 where: bonds (distance) C4'-P energy: -69.424 bonds (distance) P-C4' energy: -104.054 flat angles C4'-P-C4' energy: -81.899 flat angles P-C4'-P energy: -47.931 tors. eta vs tors. theta energy: 20.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1924.188335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.188335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.188335 (E_RNA) where: Base-Base interactions energy: -1357.595 where: short stacking energy: -554.523 Base-Backbone interact. energy: -3.803 local terms energy: -562.790045 where: bonds (distance) C4'-P energy: -105.231 bonds (distance) P-C4' energy: -109.088 flat angles C4'-P-C4' energy: -108.875 flat angles P-C4'-P energy: -76.270 tors. eta vs tors. theta energy: -163.326 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: 310 Temperature: 0.950000 Total energy: -1872.826016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.826016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.826016 (E_RNA) where: Base-Base interactions energy: -1284.506 where: short stacking energy: -563.021 Base-Backbone interact. energy: -1.647 local terms energy: -586.673500 where: bonds (distance) C4'-P energy: -103.213 bonds (distance) P-C4' energy: -112.684 flat angles C4'-P-C4' energy: -118.664 flat angles P-C4'-P energy: -87.245 tors. eta vs tors. theta energy: -164.866 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: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1760.749004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.749004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.749004 (E_RNA) where: Base-Base interactions energy: -1209.450 where: short stacking energy: -504.516 Base-Backbone interact. energy: -2.198 local terms energy: -549.101445 where: bonds (distance) C4'-P energy: -96.410 bonds (distance) P-C4' energy: -104.451 flat angles C4'-P-C4' energy: -115.367 flat angles P-C4'-P energy: -74.750 tors. eta vs tors. theta energy: -158.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1653.937351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.937351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.937351 (E_RNA) where: Base-Base interactions energy: -1107.624 where: short stacking energy: -469.731 Base-Backbone interact. energy: -2.411 local terms energy: -543.902621 where: bonds (distance) C4'-P energy: -109.486 bonds (distance) P-C4' energy: -98.389 flat angles C4'-P-C4' energy: -113.093 flat angles P-C4'-P energy: -88.236 tors. eta vs tors. theta energy: -134.699 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: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1583.710797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.710797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.710797 (E_RNA) where: Base-Base interactions energy: -1076.702 where: short stacking energy: -450.745 Base-Backbone interact. energy: 0.697 local terms energy: -507.705276 where: bonds (distance) C4'-P energy: -93.595 bonds (distance) P-C4' energy: -109.722 flat angles C4'-P-C4' energy: -103.384 flat angles P-C4'-P energy: -67.125 tors. eta vs tors. theta energy: -133.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1424.344427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.344427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.344427 (E_RNA) where: Base-Base interactions energy: -954.346 where: short stacking energy: -410.610 Base-Backbone interact. energy: -0.720 local terms energy: -469.278748 where: bonds (distance) C4'-P energy: -101.886 bonds (distance) P-C4' energy: -96.901 flat angles C4'-P-C4' energy: -85.260 flat angles P-C4'-P energy: -74.837 tors. eta vs tors. theta energy: -110.394 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: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1409.250612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.250612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.250612 (E_RNA) where: Base-Base interactions energy: -932.716 where: short stacking energy: -409.199 Base-Backbone interact. energy: -0.746 local terms energy: -475.788023 where: bonds (distance) C4'-P energy: -97.753 bonds (distance) P-C4' energy: -91.251 flat angles C4'-P-C4' energy: -96.840 flat angles P-C4'-P energy: -78.067 tors. eta vs tors. theta energy: -111.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1231.244369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.244369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.244369 (E_RNA) where: Base-Base interactions energy: -787.222 where: short stacking energy: -350.460 Base-Backbone interact. energy: -2.531 local terms energy: -441.492077 where: bonds (distance) C4'-P energy: -84.604 bonds (distance) P-C4' energy: -103.709 flat angles C4'-P-C4' energy: -103.939 flat angles P-C4'-P energy: -56.124 tors. eta vs tors. theta energy: -93.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -918.923650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.923650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.923650 (E_RNA) where: Base-Base interactions energy: -542.901 where: short stacking energy: -246.868 Base-Backbone interact. energy: -0.409 local terms energy: -375.612893 where: bonds (distance) C4'-P energy: -91.824 bonds (distance) P-C4' energy: -93.829 flat angles C4'-P-C4' energy: -86.226 flat angles P-C4'-P energy: -57.950 tors. eta vs tors. theta energy: -45.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -447.213767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.213767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.213767 (E_RNA) where: Base-Base interactions energy: -174.320 where: short stacking energy: -146.302 Base-Backbone interact. energy: 5.125 local terms energy: -278.018545 where: bonds (distance) C4'-P energy: -72.733 bonds (distance) P-C4' energy: -77.460 flat angles C4'-P-C4' energy: -75.604 flat angles P-C4'-P energy: -65.286 tors. eta vs tors. theta energy: 13.064 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: 7 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1953.409866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.409866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.409866 (E_RNA) where: Base-Base interactions energy: -1356.071 where: short stacking energy: -562.856 Base-Backbone interact. energy: -3.687 local terms energy: -593.652594 where: bonds (distance) C4'-P energy: -107.721 bonds (distance) P-C4' energy: -117.636 flat angles C4'-P-C4' energy: -124.748 flat angles P-C4'-P energy: -82.832 tors. eta vs tors. theta energy: -160.716 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: 2, replica: 5 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1842.528106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.528106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.528106 (E_RNA) where: Base-Base interactions energy: -1262.438 where: short stacking energy: -565.451 Base-Backbone interact. energy: 0.777 local terms energy: -580.867244 where: bonds (distance) C4'-P energy: -95.191 bonds (distance) P-C4' energy: -101.192 flat angles C4'-P-C4' energy: -121.715 flat angles P-C4'-P energy: -81.959 tors. eta vs tors. theta energy: -180.811 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: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1765.139455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.139455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.139455 (E_RNA) where: Base-Base interactions energy: -1214.011 where: short stacking energy: -532.251 Base-Backbone interact. energy: -2.214 local terms energy: -548.914970 where: bonds (distance) C4'-P energy: -107.633 bonds (distance) P-C4' energy: -104.586 flat angles C4'-P-C4' energy: -110.676 flat angles P-C4'-P energy: -77.709 tors. eta vs tors. theta energy: -148.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1663.272448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.272448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.272448 (E_RNA) where: Base-Base interactions energy: -1122.979 where: short stacking energy: -490.503 Base-Backbone interact. energy: -2.565 local terms energy: -537.728532 where: bonds (distance) C4'-P energy: -97.208 bonds (distance) P-C4' energy: -105.148 flat angles C4'-P-C4' energy: -115.292 flat angles P-C4'-P energy: -73.243 tors. eta vs tors. theta energy: -146.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1546.315492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.315492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.315492 (E_RNA) where: Base-Base interactions energy: -1040.964 where: short stacking energy: -408.133 Base-Backbone interact. energy: -2.655 local terms energy: -502.696965 where: bonds (distance) C4'-P energy: -86.649 bonds (distance) P-C4' energy: -96.517 flat angles C4'-P-C4' energy: -119.687 flat angles P-C4'-P energy: -69.302 tors. eta vs tors. theta energy: -130.543 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: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1485.735490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.735490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.735490 (E_RNA) where: Base-Base interactions energy: -974.900 where: short stacking energy: -425.427 Base-Backbone interact. energy: -0.927 local terms energy: -509.908552 where: bonds (distance) C4'-P energy: -90.315 bonds (distance) P-C4' energy: -99.672 flat angles C4'-P-C4' energy: -117.830 flat angles P-C4'-P energy: -84.542 tors. eta vs tors. theta energy: -117.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1386.870728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.870728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.870728 (E_RNA) where: Base-Base interactions energy: -927.161 where: short stacking energy: -371.646 Base-Backbone interact. energy: -1.344 local terms energy: -458.365668 where: bonds (distance) C4'-P energy: -91.585 bonds (distance) P-C4' energy: -99.361 flat angles C4'-P-C4' energy: -101.177 flat angles P-C4'-P energy: -77.095 tors. eta vs tors. theta energy: -89.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1313.679360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.679360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.679360 (E_RNA) where: Base-Base interactions energy: -881.594 where: short stacking energy: -380.178 Base-Backbone interact. energy: 2.813 local terms energy: -434.898291 where: bonds (distance) C4'-P energy: -84.663 bonds (distance) P-C4' energy: -91.639 flat angles C4'-P-C4' energy: -109.793 flat angles P-C4'-P energy: -57.668 tors. eta vs tors. theta energy: -91.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -909.601283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.601283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.601283 (E_RNA) where: Base-Base interactions energy: -540.221 where: short stacking energy: -241.507 Base-Backbone interact. energy: 2.499 local terms energy: -371.880046 where: bonds (distance) C4'-P energy: -94.587 bonds (distance) P-C4' energy: -101.515 flat angles C4'-P-C4' energy: -92.640 flat angles P-C4'-P energy: -43.092 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: 10, replica: 8 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -426.043151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.043151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.043151 (E_RNA) where: Base-Base interactions energy: -161.137 where: short stacking energy: -150.787 Base-Backbone interact. energy: -2.142 local terms energy: -262.763686 where: bonds (distance) C4'-P energy: -68.962 bonds (distance) P-C4' energy: -91.485 flat angles C4'-P-C4' energy: -76.721 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: 16.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1939.507361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.507361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.507361 (E_RNA) where: Base-Base interactions energy: -1355.962 where: short stacking energy: -550.288 Base-Backbone interact. energy: -0.633 local terms energy: -582.911584 where: bonds (distance) C4'-P energy: -101.506 bonds (distance) P-C4' energy: -110.202 flat angles C4'-P-C4' energy: -118.063 flat angles P-C4'-P energy: -91.404 tors. eta vs tors. theta energy: -161.736 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: 312 Temperature: 0.950000 Total energy: -1886.053224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.053224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.053224 (E_RNA) where: Base-Base interactions energy: -1291.385 where: short stacking energy: -550.921 Base-Backbone interact. energy: -1.578 local terms energy: -593.090364 where: bonds (distance) C4'-P energy: -100.694 bonds (distance) P-C4' energy: -110.454 flat angles C4'-P-C4' energy: -120.647 flat angles P-C4'-P energy: -87.678 tors. eta vs tors. theta energy: -173.617 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: 3, replica: 3 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1776.764532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.764532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.764532 (E_RNA) where: Base-Base interactions energy: -1208.797 where: short stacking energy: -504.404 Base-Backbone interact. energy: -2.868 local terms energy: -565.099639 where: bonds (distance) C4'-P energy: -98.412 bonds (distance) P-C4' energy: -96.687 flat angles C4'-P-C4' energy: -125.186 flat angles P-C4'-P energy: -88.961 tors. eta vs tors. theta energy: -155.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1667.120419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.120419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.120419 (E_RNA) where: Base-Base interactions energy: -1134.531 where: short stacking energy: -486.079 Base-Backbone interact. energy: -0.360 local terms energy: -532.229318 where: bonds (distance) C4'-P energy: -106.664 bonds (distance) P-C4' energy: -95.276 flat angles C4'-P-C4' energy: -121.975 flat angles P-C4'-P energy: -68.133 tors. eta vs tors. theta energy: -140.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1545.778740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.778740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.778740 (E_RNA) where: Base-Base interactions energy: -1052.218 where: short stacking energy: -466.591 Base-Backbone interact. energy: -4.704 local terms energy: -488.856339 where: bonds (distance) C4'-P energy: -67.053 bonds (distance) P-C4' energy: -90.246 flat angles C4'-P-C4' energy: -121.366 flat angles P-C4'-P energy: -77.917 tors. eta vs tors. theta energy: -132.275 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: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1474.043135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.043135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.043135 (E_RNA) where: Base-Base interactions energy: -975.400 where: short stacking energy: -413.730 Base-Backbone interact. energy: -1.938 local terms energy: -496.705288 where: bonds (distance) C4'-P energy: -88.461 bonds (distance) P-C4' energy: -116.864 flat angles C4'-P-C4' energy: -106.327 flat angles P-C4'-P energy: -66.840 tors. eta vs tors. theta energy: -118.212 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: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1417.040209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.040209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.040209 (E_RNA) where: Base-Base interactions energy: -944.476 where: short stacking energy: -405.725 Base-Backbone interact. energy: -1.953 local terms energy: -470.611197 where: bonds (distance) C4'-P energy: -104.180 bonds (distance) P-C4' energy: -92.192 flat angles C4'-P-C4' energy: -99.970 flat angles P-C4'-P energy: -61.719 tors. eta vs tors. theta energy: -112.551 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: 2 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1354.791957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.791957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.791957 (E_RNA) where: Base-Base interactions energy: -926.257 where: short stacking energy: -400.742 Base-Backbone interact. energy: -0.809 local terms energy: -427.725967 where: bonds (distance) C4'-P energy: -83.012 bonds (distance) P-C4' energy: -93.408 flat angles C4'-P-C4' energy: -106.979 flat angles P-C4'-P energy: -54.829 tors. eta vs tors. theta energy: -89.498 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: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -942.241273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.241273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.241273 (E_RNA) where: Base-Base interactions energy: -576.125 where: short stacking energy: -264.145 Base-Backbone interact. energy: 0.665 local terms energy: -366.781362 where: bonds (distance) C4'-P energy: -102.848 bonds (distance) P-C4' energy: -84.320 flat angles C4'-P-C4' energy: -90.836 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -43.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -410.775434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.775434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.775434 (E_RNA) where: Base-Base interactions energy: -145.858 where: short stacking energy: -122.922 Base-Backbone interact. energy: 7.072 local terms energy: -271.988651 where: bonds (distance) C4'-P energy: -97.877 bonds (distance) P-C4' energy: -82.175 flat angles C4'-P-C4' energy: -79.678 flat angles P-C4'-P energy: -44.161 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: 1, replica: 7 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1951.118425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.118425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.118425 (E_RNA) where: Base-Base interactions energy: -1334.459 where: short stacking energy: -556.894 Base-Backbone interact. energy: -2.335 local terms energy: -614.324017 where: bonds (distance) C4'-P energy: -113.620 bonds (distance) P-C4' energy: -108.782 flat angles C4'-P-C4' energy: -129.674 flat angles P-C4'-P energy: -93.171 tors. eta vs tors. theta energy: -169.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1904.152982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.152982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.152982 (E_RNA) where: Base-Base interactions energy: -1293.110 where: short stacking energy: -561.546 Base-Backbone interact. energy: 1.136 local terms energy: -612.178695 where: bonds (distance) C4'-P energy: -113.502 bonds (distance) P-C4' energy: -101.668 flat angles C4'-P-C4' energy: -120.856 flat angles P-C4'-P energy: -91.639 tors. eta vs tors. theta energy: -184.514 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: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1791.455793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.455793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.455793 (E_RNA) where: Base-Base interactions energy: -1234.005 where: short stacking energy: -519.171 Base-Backbone interact. energy: -2.677 local terms energy: -554.773972 where: bonds (distance) C4'-P energy: -98.887 bonds (distance) P-C4' energy: -100.466 flat angles C4'-P-C4' energy: -108.717 flat angles P-C4'-P energy: -90.473 tors. eta vs tors. theta energy: -156.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1675.009808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.009808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.009808 (E_RNA) where: Base-Base interactions energy: -1142.674 where: short stacking energy: -515.812 Base-Backbone interact. energy: -4.180 local terms energy: -528.155118 where: bonds (distance) C4'-P energy: -96.081 bonds (distance) P-C4' energy: -99.393 flat angles C4'-P-C4' energy: -112.572 flat angles P-C4'-P energy: -67.759 tors. eta vs tors. theta energy: -152.350 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: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1556.732552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.732552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.732552 (E_RNA) where: Base-Base interactions energy: -1049.449 where: short stacking energy: -461.185 Base-Backbone interact. energy: -1.180 local terms energy: -506.103294 where: bonds (distance) C4'-P energy: -100.990 bonds (distance) P-C4' energy: -92.561 flat angles C4'-P-C4' energy: -113.767 flat angles P-C4'-P energy: -73.423 tors. eta vs tors. theta energy: -125.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1475.584619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.584619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.584619 (E_RNA) where: Base-Base interactions energy: -1004.983 where: short stacking energy: -409.727 Base-Backbone interact. energy: 1.210 local terms energy: -471.812016 where: bonds (distance) C4'-P energy: -75.320 bonds (distance) P-C4' energy: -89.842 flat angles C4'-P-C4' energy: -116.489 flat angles P-C4'-P energy: -70.127 tors. eta vs tors. theta energy: -120.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1399.122779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.122779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.122779 (E_RNA) where: Base-Base interactions energy: -935.445 where: short stacking energy: -396.731 Base-Backbone interact. energy: -2.027 local terms energy: -461.650657 where: bonds (distance) C4'-P energy: -96.408 bonds (distance) P-C4' energy: -86.789 flat angles C4'-P-C4' energy: -100.236 flat angles P-C4'-P energy: -61.026 tors. eta vs tors. theta energy: -117.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1345.217192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.217192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.217192 (E_RNA) where: Base-Base interactions energy: -915.259 where: short stacking energy: -385.622 Base-Backbone interact. energy: -1.050 local terms energy: -428.907952 where: bonds (distance) C4'-P energy: -78.943 bonds (distance) P-C4' energy: -98.292 flat angles C4'-P-C4' energy: -88.968 flat angles P-C4'-P energy: -63.204 tors. eta vs tors. theta energy: -99.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -945.745379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.745379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.745379 (E_RNA) where: Base-Base interactions energy: -584.616 where: short stacking energy: -259.546 Base-Backbone interact. energy: -4.115 local terms energy: -357.014685 where: bonds (distance) C4'-P energy: -79.589 bonds (distance) P-C4' energy: -91.679 flat angles C4'-P-C4' energy: -91.115 flat angles P-C4'-P energy: -47.534 tors. eta vs tors. theta energy: -47.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -466.675937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.675937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.675937 (E_RNA) where: Base-Base interactions energy: -198.130 where: short stacking energy: -148.508 Base-Backbone interact. energy: 0.523 local terms energy: -269.068178 where: bonds (distance) C4'-P energy: -80.336 bonds (distance) P-C4' energy: -80.244 flat angles C4'-P-C4' energy: -73.058 flat angles P-C4'-P energy: -42.515 tors. eta vs tors. theta energy: 7.085 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: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1921.418822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.418822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.418822 (E_RNA) where: Base-Base interactions energy: -1315.230 where: short stacking energy: -588.431 Base-Backbone interact. energy: 1.271 local terms energy: -607.459452 where: bonds (distance) C4'-P energy: -111.107 bonds (distance) P-C4' energy: -104.466 flat angles C4'-P-C4' energy: -131.046 flat angles P-C4'-P energy: -82.256 tors. eta vs tors. theta energy: -178.585 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: 314 Temperature: 0.950000 Total energy: -1907.377002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.377002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.377002 (E_RNA) where: Base-Base interactions energy: -1326.380 where: short stacking energy: -560.457 Base-Backbone interact. energy: -1.748 local terms energy: -579.249582 where: bonds (distance) C4'-P energy: -106.598 bonds (distance) P-C4' energy: -101.288 flat angles C4'-P-C4' energy: -124.975 flat angles P-C4'-P energy: -79.276 tors. eta vs tors. theta energy: -167.112 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: 3 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1796.251753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.251753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.251753 (E_RNA) where: Base-Base interactions energy: -1250.652 where: short stacking energy: -517.523 Base-Backbone interact. energy: -1.697 local terms energy: -543.903270 where: bonds (distance) C4'-P energy: -94.507 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -125.765 flat angles P-C4'-P energy: -82.773 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: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1687.675214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.675214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.675214 (E_RNA) where: Base-Base interactions energy: -1146.407 where: short stacking energy: -483.864 Base-Backbone interact. energy: -4.437 local terms energy: -536.830562 where: bonds (distance) C4'-P energy: -97.485 bonds (distance) P-C4' energy: -114.578 flat angles C4'-P-C4' energy: -113.977 flat angles P-C4'-P energy: -71.182 tors. eta vs tors. theta energy: -139.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1556.439226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.439226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.439226 (E_RNA) where: Base-Base interactions energy: -1072.828 where: short stacking energy: -465.431 Base-Backbone interact. energy: 2.502 local terms energy: -486.113268 where: bonds (distance) C4'-P energy: -98.637 bonds (distance) P-C4' energy: -100.561 flat angles C4'-P-C4' energy: -106.046 flat angles P-C4'-P energy: -64.752 tors. eta vs tors. theta energy: -116.117 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: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1468.024349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.024349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.024349 (E_RNA) where: Base-Base interactions energy: -1016.297 where: short stacking energy: -433.718 Base-Backbone interact. energy: -1.598 local terms energy: -450.129443 where: bonds (distance) C4'-P energy: -91.080 bonds (distance) P-C4' energy: -87.222 flat angles C4'-P-C4' energy: -100.996 flat angles P-C4'-P energy: -50.516 tors. eta vs tors. theta energy: -120.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1343.412058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.412058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.412058 (E_RNA) where: Base-Base interactions energy: -909.396 where: short stacking energy: -394.113 Base-Backbone interact. energy: 2.421 local terms energy: -436.436740 where: bonds (distance) C4'-P energy: -80.586 bonds (distance) P-C4' energy: -96.923 flat angles C4'-P-C4' energy: -101.718 flat angles P-C4'-P energy: -64.806 tors. eta vs tors. theta energy: -92.405 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: 2 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1322.339981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.339981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.339981 (E_RNA) where: Base-Base interactions energy: -902.588 where: short stacking energy: -400.644 Base-Backbone interact. energy: -1.072 local terms energy: -418.680483 where: bonds (distance) C4'-P energy: -78.232 bonds (distance) P-C4' energy: -94.411 flat angles C4'-P-C4' energy: -84.806 flat angles P-C4'-P energy: -67.254 tors. eta vs tors. theta energy: -93.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -948.317881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.317881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.317881 (E_RNA) where: Base-Base interactions energy: -598.323 where: short stacking energy: -282.179 Base-Backbone interact. energy: 2.040 local terms energy: -352.035031 where: bonds (distance) C4'-P energy: -94.032 bonds (distance) P-C4' energy: -77.592 flat angles C4'-P-C4' energy: -76.740 flat angles P-C4'-P energy: -45.527 tors. eta vs tors. theta energy: -58.144 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: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -418.530580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.530580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.530580 (E_RNA) where: Base-Base interactions energy: -142.524 where: short stacking energy: -102.215 Base-Backbone interact. energy: 0.634 local terms energy: -276.640564 where: bonds (distance) C4'-P energy: -87.656 bonds (distance) P-C4' energy: -95.506 flat angles C4'-P-C4' energy: -72.674 flat angles P-C4'-P energy: -39.463 tors. eta vs tors. theta energy: 18.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1903.099281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.099281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.099281 (E_RNA) where: Base-Base interactions energy: -1308.595 where: short stacking energy: -551.474 Base-Backbone interact. energy: -1.320 local terms energy: -593.184379 where: bonds (distance) C4'-P energy: -111.144 bonds (distance) P-C4' energy: -105.573 flat angles C4'-P-C4' energy: -124.057 flat angles P-C4'-P energy: -83.898 tors. eta vs tors. theta energy: -168.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1893.015724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.015724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.015724 (E_RNA) where: Base-Base interactions energy: -1316.231 where: short stacking energy: -535.699 Base-Backbone interact. energy: -5.655 local terms energy: -571.130214 where: bonds (distance) C4'-P energy: -101.218 bonds (distance) P-C4' energy: -113.755 flat angles C4'-P-C4' energy: -116.956 flat angles P-C4'-P energy: -83.240 tors. eta vs tors. theta energy: -155.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1840.382474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.382474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.382474 (E_RNA) where: Base-Base interactions energy: -1263.953 where: short stacking energy: -561.769 Base-Backbone interact. energy: -2.301 local terms energy: -574.128722 where: bonds (distance) C4'-P energy: -97.181 bonds (distance) P-C4' energy: -103.990 flat angles C4'-P-C4' energy: -116.882 flat angles P-C4'-P energy: -88.714 tors. eta vs tors. theta energy: -167.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1661.171131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.171131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.171131 (E_RNA) where: Base-Base interactions energy: -1142.778 where: short stacking energy: -513.325 Base-Backbone interact. energy: -0.160 local terms energy: -518.232407 where: bonds (distance) C4'-P energy: -93.299 bonds (distance) P-C4' energy: -88.694 flat angles C4'-P-C4' energy: -112.393 flat angles P-C4'-P energy: -81.341 tors. eta vs tors. theta energy: -142.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1552.525114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.525114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.525114 (E_RNA) where: Base-Base interactions energy: -1074.562 where: short stacking energy: -449.806 Base-Backbone interact. energy: -1.419 local terms energy: -476.543691 where: bonds (distance) C4'-P energy: -88.788 bonds (distance) P-C4' energy: -92.827 flat angles C4'-P-C4' energy: -106.451 flat angles P-C4'-P energy: -68.709 tors. eta vs tors. theta energy: -119.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1484.639968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.639968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.639968 (E_RNA) where: Base-Base interactions energy: -996.125 where: short stacking energy: -410.336 Base-Backbone interact. energy: 4.255 local terms energy: -492.770486 where: bonds (distance) C4'-P energy: -100.939 bonds (distance) P-C4' energy: -101.324 flat angles C4'-P-C4' energy: -114.419 flat angles P-C4'-P energy: -68.903 tors. eta vs tors. theta energy: -107.185 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: 7, replica: 6 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1312.586533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.586533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.586533 (E_RNA) where: Base-Base interactions energy: -877.966 where: short stacking energy: -391.448 Base-Backbone interact. energy: -0.339 local terms energy: -434.281141 where: bonds (distance) C4'-P energy: -68.225 bonds (distance) P-C4' energy: -92.586 flat angles C4'-P-C4' energy: -102.054 flat angles P-C4'-P energy: -68.947 tors. eta vs tors. theta energy: -102.469 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: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1301.411475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.411475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.411475 (E_RNA) where: Base-Base interactions energy: -882.996 where: short stacking energy: -352.424 Base-Backbone interact. energy: -1.170 local terms energy: -417.245920 where: bonds (distance) C4'-P energy: -90.151 bonds (distance) P-C4' energy: -101.091 flat angles C4'-P-C4' energy: -95.218 flat angles P-C4'-P energy: -44.648 tors. eta vs tors. theta energy: -86.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -971.643892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.643892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.643892 (E_RNA) where: Base-Base interactions energy: -597.562 where: short stacking energy: -286.253 Base-Backbone interact. energy: 2.129 local terms energy: -376.211708 where: bonds (distance) C4'-P energy: -90.999 bonds (distance) P-C4' energy: -95.539 flat angles C4'-P-C4' energy: -78.379 flat angles P-C4'-P energy: -55.277 tors. eta vs tors. theta energy: -56.018 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: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -431.819095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.819095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.819095 (E_RNA) where: Base-Base interactions energy: -122.433 where: short stacking energy: -102.278 Base-Backbone interact. energy: 3.669 local terms energy: -313.054938 where: bonds (distance) C4'-P energy: -99.781 bonds (distance) P-C4' energy: -104.846 flat angles C4'-P-C4' energy: -86.847 flat angles P-C4'-P energy: -45.614 tors. eta vs tors. theta energy: 24.033 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: 5 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1911.028295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.028295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.028295 (E_RNA) where: Base-Base interactions energy: -1310.749 where: short stacking energy: -553.319 Base-Backbone interact. energy: -2.660 local terms energy: -597.618870 where: bonds (distance) C4'-P energy: -113.874 bonds (distance) P-C4' energy: -105.503 flat angles C4'-P-C4' energy: -131.200 flat angles P-C4'-P energy: -85.329 tors. eta vs tors. theta energy: -161.713 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: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1872.903896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.903896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.903896 (E_RNA) where: Base-Base interactions energy: -1308.919 where: short stacking energy: -555.304 Base-Backbone interact. energy: -2.604 local terms energy: -561.380978 where: bonds (distance) C4'-P energy: -111.409 bonds (distance) P-C4' energy: -104.101 flat angles C4'-P-C4' energy: -118.923 flat angles P-C4'-P energy: -72.281 tors. eta vs tors. theta energy: -154.666 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: 3 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1816.385461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.385461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.385461 (E_RNA) where: Base-Base interactions energy: -1233.489 where: short stacking energy: -539.565 Base-Backbone interact. energy: -3.495 local terms energy: -579.401404 where: bonds (distance) C4'-P energy: -117.496 bonds (distance) P-C4' energy: -107.517 flat angles C4'-P-C4' energy: -125.335 flat angles P-C4'-P energy: -71.134 tors. eta vs tors. theta energy: -157.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1651.986816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.986816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.986816 (E_RNA) where: Base-Base interactions energy: -1105.329 where: short stacking energy: -478.655 Base-Backbone interact. energy: -0.347 local terms energy: -546.310830 where: bonds (distance) C4'-P energy: -100.978 bonds (distance) P-C4' energy: -107.003 flat angles C4'-P-C4' energy: -116.202 flat angles P-C4'-P energy: -82.729 tors. eta vs tors. theta energy: -139.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1589.766183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.766183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.766183 (E_RNA) where: Base-Base interactions energy: -1081.305 where: short stacking energy: -466.475 Base-Backbone interact. energy: -1.515 local terms energy: -506.945801 where: bonds (distance) C4'-P energy: -93.788 bonds (distance) P-C4' energy: -94.490 flat angles C4'-P-C4' energy: -110.445 flat angles P-C4'-P energy: -73.263 tors. eta vs tors. theta energy: -134.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1487.008437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.008437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.008437 (E_RNA) where: Base-Base interactions energy: -1021.636 where: short stacking energy: -390.091 Base-Backbone interact. energy: -1.106 local terms energy: -464.266264 where: bonds (distance) C4'-P energy: -89.231 bonds (distance) P-C4' energy: -96.063 flat angles C4'-P-C4' energy: -104.302 flat angles P-C4'-P energy: -60.786 tors. eta vs tors. theta energy: -113.884 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: 316 Temperature: 1.200000 Total energy: -1328.916715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.916715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.916715 (E_RNA) where: Base-Base interactions energy: -866.594 where: short stacking energy: -351.393 Base-Backbone interact. energy: -1.977 local terms energy: -460.345075 where: bonds (distance) C4'-P energy: -92.444 bonds (distance) P-C4' energy: -96.151 flat angles C4'-P-C4' energy: -110.109 flat angles P-C4'-P energy: -64.841 tors. eta vs tors. theta energy: -96.800 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: 2 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1270.883591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.883591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.883591 (E_RNA) where: Base-Base interactions energy: -862.234 where: short stacking energy: -352.457 Base-Backbone interact. energy: 0.229 local terms energy: -408.878898 where: bonds (distance) C4'-P energy: -77.846 bonds (distance) P-C4' energy: -88.796 flat angles C4'-P-C4' energy: -89.397 flat angles P-C4'-P energy: -64.125 tors. eta vs tors. theta energy: -88.715 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: 316 Temperature: 1.300000 Total energy: -926.464696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.464696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.464696 (E_RNA) where: Base-Base interactions energy: -582.376 where: short stacking energy: -292.545 Base-Backbone interact. energy: -4.381 local terms energy: -339.707951 where: bonds (distance) C4'-P energy: -71.951 bonds (distance) P-C4' energy: -93.884 flat angles C4'-P-C4' energy: -75.642 flat angles P-C4'-P energy: -51.948 tors. eta vs tors. theta energy: -46.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -409.642835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.642835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.642835 (E_RNA) where: Base-Base interactions energy: -138.832 where: short stacking energy: -121.248 Base-Backbone interact. energy: -0.223 local terms energy: -270.587339 where: bonds (distance) C4'-P energy: -71.967 bonds (distance) P-C4' energy: -96.610 flat angles C4'-P-C4' energy: -83.754 flat angles P-C4'-P energy: -39.756 tors. eta vs tors. theta energy: 21.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1938.776126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.776126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.776126 (E_RNA) where: Base-Base interactions energy: -1325.417 where: short stacking energy: -590.385 Base-Backbone interact. energy: -2.985 local terms energy: -610.373824 where: bonds (distance) C4'-P energy: -109.780 bonds (distance) P-C4' energy: -123.238 flat angles C4'-P-C4' energy: -116.943 flat angles P-C4'-P energy: -85.700 tors. eta vs tors. theta energy: -174.713 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: 7 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1882.867683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.867683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.867683 (E_RNA) where: Base-Base interactions energy: -1324.849 where: short stacking energy: -559.208 Base-Backbone interact. energy: -0.597 local terms energy: -557.422203 where: bonds (distance) C4'-P energy: -91.781 bonds (distance) P-C4' energy: -94.538 flat angles C4'-P-C4' energy: -121.221 flat angles P-C4'-P energy: -85.545 tors. eta vs tors. theta energy: -164.337 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: 3 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1821.136336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.136336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.136336 (E_RNA) where: Base-Base interactions energy: -1271.964 where: short stacking energy: -550.757 Base-Backbone interact. energy: -2.330 local terms energy: -546.842114 where: bonds (distance) C4'-P energy: -95.975 bonds (distance) P-C4' energy: -95.331 flat angles C4'-P-C4' energy: -114.796 flat angles P-C4'-P energy: -80.051 tors. eta vs tors. theta energy: -160.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1698.022249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.022249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.022249 (E_RNA) where: Base-Base interactions energy: -1184.267 where: short stacking energy: -502.134 Base-Backbone interact. energy: -2.914 local terms energy: -510.841537 where: bonds (distance) C4'-P energy: -106.877 bonds (distance) P-C4' energy: -79.614 flat angles C4'-P-C4' energy: -106.550 flat angles P-C4'-P energy: -71.207 tors. eta vs tors. theta energy: -146.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1590.146109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.146109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.146109 (E_RNA) where: Base-Base interactions energy: -1069.553 where: short stacking energy: -461.335 Base-Backbone interact. energy: -0.317 local terms energy: -520.275298 where: bonds (distance) C4'-P energy: -103.231 bonds (distance) P-C4' energy: -104.931 flat angles C4'-P-C4' energy: -110.530 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: -128.785 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: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1513.107465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.107465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.107465 (E_RNA) where: Base-Base interactions energy: -1033.268 where: short stacking energy: -423.289 Base-Backbone interact. energy: -2.103 local terms energy: -477.736443 where: bonds (distance) C4'-P energy: -86.980 bonds (distance) P-C4' energy: -92.479 flat angles C4'-P-C4' energy: -101.560 flat angles P-C4'-P energy: -78.249 tors. eta vs tors. theta energy: -118.468 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: 317 Temperature: 1.200000 Total energy: -1331.404595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.404595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.404595 (E_RNA) where: Base-Base interactions energy: -908.177 where: short stacking energy: -404.099 Base-Backbone interact. energy: 1.619 local terms energy: -424.846265 where: bonds (distance) C4'-P energy: -80.250 bonds (distance) P-C4' energy: -80.086 flat angles C4'-P-C4' energy: -97.267 flat angles P-C4'-P energy: -73.960 tors. eta vs tors. theta energy: -93.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1252.857809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.857809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.857809 (E_RNA) where: Base-Base interactions energy: -832.437 where: short stacking energy: -353.541 Base-Backbone interact. energy: -1.301 local terms energy: -419.119434 where: bonds (distance) C4'-P energy: -102.087 bonds (distance) P-C4' energy: -89.251 flat angles C4'-P-C4' energy: -91.349 flat angles P-C4'-P energy: -55.696 tors. eta vs tors. theta energy: -80.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -945.370354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.370354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.370354 (E_RNA) where: Base-Base interactions energy: -574.194 where: short stacking energy: -263.899 Base-Backbone interact. energy: 5.713 local terms energy: -376.889047 where: bonds (distance) C4'-P energy: -83.040 bonds (distance) P-C4' energy: -95.341 flat angles C4'-P-C4' energy: -86.915 flat angles P-C4'-P energy: -62.755 tors. eta vs tors. theta energy: -48.838 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: 8 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -457.240318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.240318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.240318 (E_RNA) where: Base-Base interactions energy: -165.911 where: short stacking energy: -147.893 Base-Backbone interact. energy: 2.073 local terms energy: -293.402692 where: bonds (distance) C4'-P energy: -89.277 bonds (distance) P-C4' energy: -95.982 flat angles C4'-P-C4' energy: -62.292 flat angles P-C4'-P energy: -48.758 tors. eta vs tors. theta energy: 2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1930.689545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.689545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.689545 (E_RNA) where: Base-Base interactions energy: -1345.272 where: short stacking energy: -574.544 Base-Backbone interact. energy: -2.644 local terms energy: -582.773450 where: bonds (distance) C4'-P energy: -103.477 bonds (distance) P-C4' energy: -104.582 flat angles C4'-P-C4' energy: -119.759 flat angles P-C4'-P energy: -78.788 tors. eta vs tors. theta energy: -176.168 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: 318 Temperature: 0.950000 Total energy: -1889.041072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.041072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.041072 (E_RNA) where: Base-Base interactions energy: -1315.119 where: short stacking energy: -556.256 Base-Backbone interact. energy: -1.260 local terms energy: -572.661801 where: bonds (distance) C4'-P energy: -100.013 bonds (distance) P-C4' energy: -105.556 flat angles C4'-P-C4' energy: -117.074 flat angles P-C4'-P energy: -78.390 tors. eta vs tors. theta energy: -171.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1797.554740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.554740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.554740 (E_RNA) where: Base-Base interactions energy: -1224.042 where: short stacking energy: -526.950 Base-Backbone interact. energy: -0.031 local terms energy: -573.482194 where: bonds (distance) C4'-P energy: -102.252 bonds (distance) P-C4' energy: -102.395 flat angles C4'-P-C4' energy: -127.442 flat angles P-C4'-P energy: -85.613 tors. eta vs tors. theta energy: -155.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1683.056966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.056966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.056966 (E_RNA) where: Base-Base interactions energy: -1144.204 where: short stacking energy: -494.483 Base-Backbone interact. energy: -1.109 local terms energy: -537.744177 where: bonds (distance) C4'-P energy: -86.570 bonds (distance) P-C4' energy: -109.924 flat angles C4'-P-C4' energy: -112.707 flat angles P-C4'-P energy: -84.170 tors. eta vs tors. theta energy: -144.373 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: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1607.420538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.420538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.420538 (E_RNA) where: Base-Base interactions energy: -1107.094 where: short stacking energy: -475.312 Base-Backbone interact. energy: -1.197 local terms energy: -499.130284 where: bonds (distance) C4'-P energy: -81.956 bonds (distance) P-C4' energy: -96.836 flat angles C4'-P-C4' energy: -114.604 flat angles P-C4'-P energy: -72.969 tors. eta vs tors. theta energy: -132.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1500.963644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.963644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.963644 (E_RNA) where: Base-Base interactions energy: -1026.322 where: short stacking energy: -419.532 Base-Backbone interact. energy: -2.717 local terms energy: -471.924941 where: bonds (distance) C4'-P energy: -88.351 bonds (distance) P-C4' energy: -106.399 flat angles C4'-P-C4' energy: -104.276 flat angles P-C4'-P energy: -58.554 tors. eta vs tors. theta energy: -114.346 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: 7, replica: 6 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1388.463620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.463620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.463620 (E_RNA) where: Base-Base interactions energy: -965.524 where: short stacking energy: -398.460 Base-Backbone interact. energy: -0.502 local terms energy: -422.437362 where: bonds (distance) C4'-P energy: -67.862 bonds (distance) P-C4' energy: -100.101 flat angles C4'-P-C4' energy: -104.025 flat angles P-C4'-P energy: -47.213 tors. eta vs tors. theta energy: -103.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1245.603872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.603872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.603872 (E_RNA) where: Base-Base interactions energy: -842.026 where: short stacking energy: -356.224 Base-Backbone interact. energy: -3.074 local terms energy: -400.503924 where: bonds (distance) C4'-P energy: -95.373 bonds (distance) P-C4' energy: -91.602 flat angles C4'-P-C4' energy: -86.406 flat angles P-C4'-P energy: -48.181 tors. eta vs tors. theta energy: -78.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -948.264678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.264678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.264678 (E_RNA) where: Base-Base interactions energy: -611.668 where: short stacking energy: -263.787 Base-Backbone interact. energy: 9.943 local terms energy: -346.540193 where: bonds (distance) C4'-P energy: -66.814 bonds (distance) P-C4' energy: -100.940 flat angles C4'-P-C4' energy: -76.421 flat angles P-C4'-P energy: -53.935 tors. eta vs tors. theta energy: -48.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -423.967989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.967989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.967989 (E_RNA) where: Base-Base interactions energy: -139.686 where: short stacking energy: -131.330 Base-Backbone interact. energy: -0.250 local terms energy: -284.032071 where: bonds (distance) C4'-P energy: -83.302 bonds (distance) P-C4' energy: -94.414 flat angles C4'-P-C4' energy: -74.603 flat angles P-C4'-P energy: -39.743 tors. eta vs tors. theta energy: 8.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1929.686225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.686225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.686225 (E_RNA) where: Base-Base interactions energy: -1343.416 where: short stacking energy: -564.778 Base-Backbone interact. energy: -1.531 local terms energy: -584.739166 where: bonds (distance) C4'-P energy: -104.965 bonds (distance) P-C4' energy: -105.937 flat angles C4'-P-C4' energy: -120.528 flat angles P-C4'-P energy: -91.076 tors. eta vs tors. theta energy: -162.234 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: 319 Temperature: 0.950000 Total energy: -1853.830775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.830775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.830775 (E_RNA) where: Base-Base interactions energy: -1263.804 where: short stacking energy: -539.738 Base-Backbone interact. energy: -1.440 local terms energy: -588.586044 where: bonds (distance) C4'-P energy: -106.251 bonds (distance) P-C4' energy: -108.263 flat angles C4'-P-C4' energy: -119.021 flat angles P-C4'-P energy: -87.973 tors. eta vs tors. theta energy: -167.078 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: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1839.721548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.721548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.721548 (E_RNA) where: Base-Base interactions energy: -1258.900 where: short stacking energy: -534.126 Base-Backbone interact. energy: -4.181 local terms energy: -576.640444 where: bonds (distance) C4'-P energy: -106.773 bonds (distance) P-C4' energy: -107.195 flat angles C4'-P-C4' energy: -121.370 flat angles P-C4'-P energy: -76.884 tors. eta vs tors. theta energy: -164.419 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: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1700.017970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.017970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.017970 (E_RNA) where: Base-Base interactions energy: -1160.212 where: short stacking energy: -521.470 Base-Backbone interact. energy: -1.342 local terms energy: -538.464060 where: bonds (distance) C4'-P energy: -105.134 bonds (distance) P-C4' energy: -90.775 flat angles C4'-P-C4' energy: -110.265 flat angles P-C4'-P energy: -81.795 tors. eta vs tors. theta energy: -150.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1561.210680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.210680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.210680 (E_RNA) where: Base-Base interactions energy: -1072.665 where: short stacking energy: -474.385 Base-Backbone interact. energy: -0.480 local terms energy: -488.065659 where: bonds (distance) C4'-P energy: -86.220 bonds (distance) P-C4' energy: -89.638 flat angles C4'-P-C4' energy: -104.045 flat angles P-C4'-P energy: -77.113 tors. eta vs tors. theta energy: -131.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1493.630100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.630100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.630100 (E_RNA) where: Base-Base interactions energy: -1022.247 where: short stacking energy: -415.315 Base-Backbone interact. energy: -1.890 local terms energy: -469.493078 where: bonds (distance) C4'-P energy: -101.166 bonds (distance) P-C4' energy: -96.503 flat angles C4'-P-C4' energy: -103.807 flat angles P-C4'-P energy: -65.723 tors. eta vs tors. theta energy: -102.293 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: 319 Temperature: 1.200000 Total energy: -1394.893514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.893514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.893514 (E_RNA) where: Base-Base interactions energy: -945.932 where: short stacking energy: -402.686 Base-Backbone interact. energy: 2.090 local terms energy: -451.050791 where: bonds (distance) C4'-P energy: -95.212 bonds (distance) P-C4' energy: -100.029 flat angles C4'-P-C4' energy: -96.452 flat angles P-C4'-P energy: -63.192 tors. eta vs tors. theta energy: -96.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1002.672234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.672234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.672234 (E_RNA) where: Base-Base interactions energy: -623.241 where: short stacking energy: -293.237 Base-Backbone interact. energy: -3.421 local terms energy: -376.010980 where: bonds (distance) C4'-P energy: -90.726 bonds (distance) P-C4' energy: -73.041 flat angles C4'-P-C4' energy: -91.468 flat angles P-C4'-P energy: -65.886 tors. eta vs tors. theta energy: -54.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1103.943761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.943761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.943761 (E_RNA) where: Base-Base interactions energy: -730.203 where: short stacking energy: -331.898 Base-Backbone interact. energy: -1.915 local terms energy: -371.825611 where: bonds (distance) C4'-P energy: -66.986 bonds (distance) P-C4' energy: -88.231 flat angles C4'-P-C4' energy: -98.640 flat angles P-C4'-P energy: -51.259 tors. eta vs tors. theta energy: -66.710 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: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -447.189587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.189587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.189587 (E_RNA) where: Base-Base interactions energy: -156.779 where: short stacking energy: -131.487 Base-Backbone interact. energy: 3.040 local terms energy: -293.450598 where: bonds (distance) C4'-P energy: -96.155 bonds (distance) P-C4' energy: -96.740 flat angles C4'-P-C4' energy: -60.718 flat angles P-C4'-P energy: -51.463 tors. eta vs tors. theta energy: 11.625 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: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1960.224487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.224487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.224487 (E_RNA) where: Base-Base interactions energy: -1353.547 where: short stacking energy: -582.258 Base-Backbone interact. energy: 1.742 local terms energy: -608.419435 where: bonds (distance) C4'-P energy: -96.344 bonds (distance) P-C4' energy: -118.276 flat angles C4'-P-C4' energy: -121.847 flat angles P-C4'-P energy: -103.462 tors. eta vs tors. theta energy: -168.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1874.009613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.009613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.009613 (E_RNA) where: Base-Base interactions energy: -1292.974 where: short stacking energy: -557.248 Base-Backbone interact. energy: -0.074 local terms energy: -580.961226 where: bonds (distance) C4'-P energy: -100.595 bonds (distance) P-C4' energy: -104.388 flat angles C4'-P-C4' energy: -122.652 flat angles P-C4'-P energy: -82.726 tors. eta vs tors. theta energy: -170.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1850.102552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.102552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.102552 (E_RNA) where: Base-Base interactions energy: -1256.044 where: short stacking energy: -555.160 Base-Backbone interact. energy: -4.873 local terms energy: -589.185669 where: bonds (distance) C4'-P energy: -99.558 bonds (distance) P-C4' energy: -109.952 flat angles C4'-P-C4' energy: -118.797 flat angles P-C4'-P energy: -88.823 tors. eta vs tors. theta energy: -172.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1640.170561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.170561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.170561 (E_RNA) where: Base-Base interactions energy: -1124.197 where: short stacking energy: -484.476 Base-Backbone interact. energy: -1.955 local terms energy: -514.018915 where: bonds (distance) C4'-P energy: -95.140 bonds (distance) P-C4' energy: -100.623 flat angles C4'-P-C4' energy: -109.480 flat angles P-C4'-P energy: -80.086 tors. eta vs tors. theta energy: -128.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1578.623111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.623111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.623111 (E_RNA) where: Base-Base interactions energy: -1081.450 where: short stacking energy: -496.231 Base-Backbone interact. energy: -1.236 local terms energy: -495.937405 where: bonds (distance) C4'-P energy: -90.797 bonds (distance) P-C4' energy: -103.877 flat angles C4'-P-C4' energy: -110.492 flat angles P-C4'-P energy: -59.068 tors. eta vs tors. theta energy: -131.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1506.788743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.788743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.788743 (E_RNA) where: Base-Base interactions energy: -1043.239 where: short stacking energy: -429.342 Base-Backbone interact. energy: -2.429 local terms energy: -461.121095 where: bonds (distance) C4'-P energy: -92.449 bonds (distance) P-C4' energy: -99.265 flat angles C4'-P-C4' energy: -98.323 flat angles P-C4'-P energy: -60.272 tors. eta vs tors. theta energy: -110.812 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: 7, replica: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1343.453612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.453612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.453612 (E_RNA) where: Base-Base interactions energy: -914.057 where: short stacking energy: -398.104 Base-Backbone interact. energy: 5.282 local terms energy: -434.678669 where: bonds (distance) C4'-P energy: -92.639 bonds (distance) P-C4' energy: -82.850 flat angles C4'-P-C4' energy: -102.462 flat angles P-C4'-P energy: -64.743 tors. eta vs tors. theta energy: -91.984 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: 9 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1057.500848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.500848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.500848 (E_RNA) where: Base-Base interactions energy: -675.771 where: short stacking energy: -306.733 Base-Backbone interact. energy: 1.635 local terms energy: -383.364204 where: bonds (distance) C4'-P energy: -83.139 bonds (distance) P-C4' energy: -91.925 flat angles C4'-P-C4' energy: -97.519 flat angles P-C4'-P energy: -62.901 tors. eta vs tors. theta energy: -47.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1086.317495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.317495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.317495 (E_RNA) where: Base-Base interactions energy: -704.790 where: short stacking energy: -294.851 Base-Backbone interact. energy: -4.519 local terms energy: -377.008056 where: bonds (distance) C4'-P energy: -91.997 bonds (distance) P-C4' energy: -76.221 flat angles C4'-P-C4' energy: -85.296 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -69.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -406.297883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.297883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.297883 (E_RNA) where: Base-Base interactions energy: -114.796 where: short stacking energy: -110.116 Base-Backbone interact. energy: 2.479 local terms energy: -293.981639 where: bonds (distance) C4'-P energy: -85.417 bonds (distance) P-C4' energy: -100.286 flat angles C4'-P-C4' energy: -86.540 flat angles P-C4'-P energy: -39.235 tors. eta vs tors. theta energy: 17.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1953.325282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.325282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.325282 (E_RNA) where: Base-Base interactions energy: -1367.070 where: short stacking energy: -590.372 Base-Backbone interact. energy: -0.312 local terms energy: -585.942841 where: bonds (distance) C4'-P energy: -113.064 bonds (distance) P-C4' energy: -99.594 flat angles C4'-P-C4' energy: -116.663 flat angles P-C4'-P energy: -87.937 tors. eta vs tors. theta energy: -168.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1880.310196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.310196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.310196 (E_RNA) where: Base-Base interactions energy: -1313.582 where: short stacking energy: -554.309 Base-Backbone interact. energy: -2.124 local terms energy: -564.604318 where: bonds (distance) C4'-P energy: -94.623 bonds (distance) P-C4' energy: -94.877 flat angles C4'-P-C4' energy: -118.029 flat angles P-C4'-P energy: -86.275 tors. eta vs tors. theta energy: -170.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1811.098732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.098732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.098732 (E_RNA) where: Base-Base interactions energy: -1264.940 where: short stacking energy: -543.520 Base-Backbone interact. energy: -3.013 local terms energy: -543.146028 where: bonds (distance) C4'-P energy: -105.784 bonds (distance) P-C4' energy: -95.901 flat angles C4'-P-C4' energy: -103.390 flat angles P-C4'-P energy: -78.652 tors. eta vs tors. theta energy: -159.420 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: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1633.856111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.856111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.856111 (E_RNA) where: Base-Base interactions energy: -1102.755 where: short stacking energy: -485.807 Base-Backbone interact. energy: -1.149 local terms energy: -529.952188 where: bonds (distance) C4'-P energy: -97.084 bonds (distance) P-C4' energy: -94.823 flat angles C4'-P-C4' energy: -116.684 flat angles P-C4'-P energy: -83.710 tors. eta vs tors. theta energy: -137.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1599.153760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.153760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.153760 (E_RNA) where: Base-Base interactions energy: -1096.768 where: short stacking energy: -470.195 Base-Backbone interact. energy: 4.123 local terms energy: -506.508918 where: bonds (distance) C4'-P energy: -91.286 bonds (distance) P-C4' energy: -96.747 flat angles C4'-P-C4' energy: -111.449 flat angles P-C4'-P energy: -76.088 tors. eta vs tors. theta energy: -130.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1501.928962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.928962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.928962 (E_RNA) where: Base-Base interactions energy: -1032.766 where: short stacking energy: -416.904 Base-Backbone interact. energy: 1.460 local terms energy: -470.623022 where: bonds (distance) C4'-P energy: -94.424 bonds (distance) P-C4' energy: -105.945 flat angles C4'-P-C4' energy: -94.394 flat angles P-C4'-P energy: -61.912 tors. eta vs tors. theta energy: -113.947 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: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1403.311428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.311428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.311428 (E_RNA) where: Base-Base interactions energy: -956.510 where: short stacking energy: -431.537 Base-Backbone interact. energy: -3.286 local terms energy: -443.515765 where: bonds (distance) C4'-P energy: -78.041 bonds (distance) P-C4' energy: -89.443 flat angles C4'-P-C4' energy: -103.485 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -114.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1160.503983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.503983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.503983 (E_RNA) where: Base-Base interactions energy: -742.859 where: short stacking energy: -335.805 Base-Backbone interact. energy: -2.996 local terms energy: -414.648992 where: bonds (distance) C4'-P energy: -77.863 bonds (distance) P-C4' energy: -101.840 flat angles C4'-P-C4' energy: -99.284 flat angles P-C4'-P energy: -63.125 tors. eta vs tors. theta energy: -72.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -948.091102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.091102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.091102 (E_RNA) where: Base-Base interactions energy: -571.590 where: short stacking energy: -277.146 Base-Backbone interact. energy: -1.831 local terms energy: -374.670649 where: bonds (distance) C4'-P energy: -83.444 bonds (distance) P-C4' energy: -93.208 flat angles C4'-P-C4' energy: -94.440 flat angles P-C4'-P energy: -52.991 tors. eta vs tors. theta energy: -50.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -472.408536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.408536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.408536 (E_RNA) where: Base-Base interactions energy: -181.257 where: short stacking energy: -157.382 Base-Backbone interact. energy: -1.908 local terms energy: -289.243535 where: bonds (distance) C4'-P energy: -80.936 bonds (distance) P-C4' energy: -100.903 flat angles C4'-P-C4' energy: -82.801 flat angles P-C4'-P energy: -40.202 tors. eta vs tors. theta energy: 15.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1954.979190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.979190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.979190 (E_RNA) where: Base-Base interactions energy: -1360.651 where: short stacking energy: -570.673 Base-Backbone interact. energy: -1.711 local terms energy: -592.616599 where: bonds (distance) C4'-P energy: -101.004 bonds (distance) P-C4' energy: -112.525 flat angles C4'-P-C4' energy: -116.852 flat angles P-C4'-P energy: -87.591 tors. eta vs tors. theta energy: -174.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1871.446630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.446630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.446630 (E_RNA) where: Base-Base interactions energy: -1300.425 where: short stacking energy: -581.736 Base-Backbone interact. energy: 0.307 local terms energy: -571.328688 where: bonds (distance) C4'-P energy: -105.055 bonds (distance) P-C4' energy: -100.653 flat angles C4'-P-C4' energy: -116.875 flat angles P-C4'-P energy: -78.818 tors. eta vs tors. theta energy: -169.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1796.739012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.739012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.739012 (E_RNA) where: Base-Base interactions energy: -1234.685 where: short stacking energy: -540.629 Base-Backbone interact. energy: -1.487 local terms energy: -560.566480 where: bonds (distance) C4'-P energy: -97.864 bonds (distance) P-C4' energy: -99.007 flat angles C4'-P-C4' energy: -126.560 flat angles P-C4'-P energy: -81.167 tors. eta vs tors. theta energy: -155.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1627.021994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.021994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.021994 (E_RNA) where: Base-Base interactions energy: -1126.425 where: short stacking energy: -490.473 Base-Backbone interact. energy: -2.957 local terms energy: -497.640064 where: bonds (distance) C4'-P energy: -88.079 bonds (distance) P-C4' energy: -95.927 flat angles C4'-P-C4' energy: -118.693 flat angles P-C4'-P energy: -65.230 tors. eta vs tors. theta energy: -129.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1605.850965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.850965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.850965 (E_RNA) where: Base-Base interactions energy: -1087.957 where: short stacking energy: -472.916 Base-Backbone interact. energy: 3.193 local terms energy: -521.087021 where: bonds (distance) C4'-P energy: -94.058 bonds (distance) P-C4' energy: -107.861 flat angles C4'-P-C4' energy: -102.317 flat angles P-C4'-P energy: -84.939 tors. eta vs tors. theta energy: -131.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1531.350431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.350431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.350431 (E_RNA) where: Base-Base interactions energy: -1041.368 where: short stacking energy: -421.926 Base-Backbone interact. energy: 0.407 local terms energy: -490.389183 where: bonds (distance) C4'-P energy: -79.809 bonds (distance) P-C4' energy: -106.798 flat angles C4'-P-C4' energy: -111.462 flat angles P-C4'-P energy: -73.804 tors. eta vs tors. theta energy: -118.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1384.445221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.445221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.445221 (E_RNA) where: Base-Base interactions energy: -924.661 where: short stacking energy: -419.515 Base-Backbone interact. energy: -0.394 local terms energy: -459.389732 where: bonds (distance) C4'-P energy: -91.394 bonds (distance) P-C4' energy: -104.520 flat angles C4'-P-C4' energy: -95.614 flat angles P-C4'-P energy: -62.210 tors. eta vs tors. theta energy: -105.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1189.993990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.993990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.993990 (E_RNA) where: Base-Base interactions energy: -795.723 where: short stacking energy: -339.672 Base-Backbone interact. energy: 0.424 local terms energy: -394.695516 where: bonds (distance) C4'-P energy: -79.964 bonds (distance) P-C4' energy: -96.477 flat angles C4'-P-C4' energy: -86.539 flat angles P-C4'-P energy: -58.054 tors. eta vs tors. theta energy: -73.662 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: 322 Temperature: 1.300000 Total energy: -945.835390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.835390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.835390 (E_RNA) where: Base-Base interactions energy: -607.428 where: short stacking energy: -269.323 Base-Backbone interact. energy: -0.886 local terms energy: -337.521644 where: bonds (distance) C4'-P energy: -88.910 bonds (distance) P-C4' energy: -94.281 flat angles C4'-P-C4' energy: -66.478 flat angles P-C4'-P energy: -43.628 tors. eta vs tors. theta energy: -44.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -456.315198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.315198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.315198 (E_RNA) where: Base-Base interactions energy: -153.354 where: short stacking energy: -110.393 Base-Backbone interact. energy: 0.121 local terms energy: -303.082030 where: bonds (distance) C4'-P energy: -99.403 bonds (distance) P-C4' energy: -86.573 flat angles C4'-P-C4' energy: -81.899 flat angles P-C4'-P energy: -55.555 tors. eta vs tors. theta energy: 20.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1933.417177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.417177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.417177 (E_RNA) where: Base-Base interactions energy: -1346.245 where: short stacking energy: -581.331 Base-Backbone interact. energy: 4.646 local terms energy: -591.818289 where: bonds (distance) C4'-P energy: -109.764 bonds (distance) P-C4' energy: -86.896 flat angles C4'-P-C4' energy: -134.036 flat angles P-C4'-P energy: -83.579 tors. eta vs tors. theta energy: -177.544 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: 2, replica: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1884.231183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.231183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.231183 (E_RNA) where: Base-Base interactions energy: -1294.660 where: short stacking energy: -559.634 Base-Backbone interact. energy: -3.707 local terms energy: -585.864187 where: bonds (distance) C4'-P energy: -96.553 bonds (distance) P-C4' energy: -119.823 flat angles C4'-P-C4' energy: -124.042 flat angles P-C4'-P energy: -74.231 tors. eta vs tors. theta energy: -171.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1781.560768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.560768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.560768 (E_RNA) where: Base-Base interactions energy: -1219.204 where: short stacking energy: -516.901 Base-Backbone interact. energy: -2.782 local terms energy: -559.574897 where: bonds (distance) C4'-P energy: -97.018 bonds (distance) P-C4' energy: -117.644 flat angles C4'-P-C4' energy: -120.594 flat angles P-C4'-P energy: -84.100 tors. eta vs tors. theta energy: -140.219 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: 4, replica: 10 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1691.659186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.659186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.659186 (E_RNA) where: Base-Base interactions energy: -1153.286 where: short stacking energy: -512.961 Base-Backbone interact. energy: -1.944 local terms energy: -536.428396 where: bonds (distance) C4'-P energy: -98.539 bonds (distance) P-C4' energy: -95.117 flat angles C4'-P-C4' energy: -122.565 flat angles P-C4'-P energy: -78.131 tors. eta vs tors. theta energy: -142.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1617.400734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.400734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.400734 (E_RNA) where: Base-Base interactions energy: -1106.779 where: short stacking energy: -488.667 Base-Backbone interact. energy: 1.718 local terms energy: -512.339536 where: bonds (distance) C4'-P energy: -101.076 bonds (distance) P-C4' energy: -98.319 flat angles C4'-P-C4' energy: -98.122 flat angles P-C4'-P energy: -78.507 tors. eta vs tors. theta energy: -136.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1497.354241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.354241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.354241 (E_RNA) where: Base-Base interactions energy: -1022.882 where: short stacking energy: -445.556 Base-Backbone interact. energy: -1.243 local terms energy: -473.229149 where: bonds (distance) C4'-P energy: -82.070 bonds (distance) P-C4' energy: -114.813 flat angles C4'-P-C4' energy: -105.976 flat angles P-C4'-P energy: -61.591 tors. eta vs tors. theta energy: -108.779 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: 323 Temperature: 1.200000 Total energy: -1408.914117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.914117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.914117 (E_RNA) where: Base-Base interactions energy: -968.041 where: short stacking energy: -389.924 Base-Backbone interact. energy: -2.014 local terms energy: -438.858833 where: bonds (distance) C4'-P energy: -81.874 bonds (distance) P-C4' energy: -94.434 flat angles C4'-P-C4' energy: -99.140 flat angles P-C4'-P energy: -60.007 tors. eta vs tors. theta energy: -103.404 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: 2 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1212.544219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.544219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.544219 (E_RNA) where: Base-Base interactions energy: -818.881 where: short stacking energy: -340.447 Base-Backbone interact. energy: 2.516 local terms energy: -396.178769 where: bonds (distance) C4'-P energy: -84.220 bonds (distance) P-C4' energy: -98.067 flat angles C4'-P-C4' energy: -95.915 flat angles P-C4'-P energy: -56.159 tors. eta vs tors. theta energy: -61.818 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: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -921.415146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.415146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.415146 (E_RNA) where: Base-Base interactions energy: -573.179 where: short stacking energy: -267.729 Base-Backbone interact. energy: -1.124 local terms energy: -347.112052 where: bonds (distance) C4'-P energy: -91.886 bonds (distance) P-C4' energy: -80.836 flat angles C4'-P-C4' energy: -94.324 flat angles P-C4'-P energy: -38.022 tors. eta vs tors. theta energy: -42.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -414.573038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.573038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.573038 (E_RNA) where: Base-Base interactions energy: -165.509 where: short stacking energy: -126.581 Base-Backbone interact. energy: 2.162 local terms energy: -251.225480 where: bonds (distance) C4'-P energy: -72.498 bonds (distance) P-C4' energy: -93.907 flat angles C4'-P-C4' energy: -79.835 flat angles P-C4'-P energy: -36.729 tors. eta vs tors. theta energy: 31.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1929.829895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.829895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.829895 (E_RNA) where: Base-Base interactions energy: -1354.169 where: short stacking energy: -580.898 Base-Backbone interact. energy: -1.201 local terms energy: -574.460296 where: bonds (distance) C4'-P energy: -111.628 bonds (distance) P-C4' energy: -101.805 flat angles C4'-P-C4' energy: -115.397 flat angles P-C4'-P energy: -86.146 tors. eta vs tors. theta energy: -159.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1882.590568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.590568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.590568 (E_RNA) where: Base-Base interactions energy: -1283.336 where: short stacking energy: -554.881 Base-Backbone interact. energy: -4.248 local terms energy: -595.006224 where: bonds (distance) C4'-P energy: -110.025 bonds (distance) P-C4' energy: -105.634 flat angles C4'-P-C4' energy: -120.351 flat angles P-C4'-P energy: -86.462 tors. eta vs tors. theta energy: -172.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1828.297465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.297465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.297465 (E_RNA) where: Base-Base interactions energy: -1268.644 where: short stacking energy: -547.832 Base-Backbone interact. energy: 0.505 local terms energy: -560.158367 where: bonds (distance) C4'-P energy: -99.518 bonds (distance) P-C4' energy: -118.097 flat angles C4'-P-C4' energy: -107.032 flat angles P-C4'-P energy: -78.643 tors. eta vs tors. theta energy: -156.868 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: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1693.706951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.706951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.706951 (E_RNA) where: Base-Base interactions energy: -1149.876 where: short stacking energy: -528.918 Base-Backbone interact. energy: -2.157 local terms energy: -541.674359 where: bonds (distance) C4'-P energy: -105.056 bonds (distance) P-C4' energy: -99.498 flat angles C4'-P-C4' energy: -117.858 flat angles P-C4'-P energy: -73.703 tors. eta vs tors. theta energy: -145.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1627.669141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.669141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.669141 (E_RNA) where: Base-Base interactions energy: -1101.746 where: short stacking energy: -469.974 Base-Backbone interact. energy: -2.057 local terms energy: -523.866429 where: bonds (distance) C4'-P energy: -93.804 bonds (distance) P-C4' energy: -108.473 flat angles C4'-P-C4' energy: -109.946 flat angles P-C4'-P energy: -78.046 tors. eta vs tors. theta energy: -133.598 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: 324 Temperature: 1.150000 Total energy: -1509.708051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.708051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.708051 (E_RNA) where: Base-Base interactions energy: -1049.618 where: short stacking energy: -404.862 Base-Backbone interact. energy: -1.434 local terms energy: -458.655638 where: bonds (distance) C4'-P energy: -79.611 bonds (distance) P-C4' energy: -104.544 flat angles C4'-P-C4' energy: -100.772 flat angles P-C4'-P energy: -59.487 tors. eta vs tors. theta energy: -114.242 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: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1360.889607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.889607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.889607 (E_RNA) where: Base-Base interactions energy: -927.767 where: short stacking energy: -375.186 Base-Backbone interact. energy: -2.546 local terms energy: -430.576825 where: bonds (distance) C4'-P energy: -91.518 bonds (distance) P-C4' energy: -102.180 flat angles C4'-P-C4' energy: -103.228 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -83.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1204.956933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.956933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.956933 (E_RNA) where: Base-Base interactions energy: -810.962 where: short stacking energy: -342.867 Base-Backbone interact. energy: -1.543 local terms energy: -392.451850 where: bonds (distance) C4'-P energy: -92.675 bonds (distance) P-C4' energy: -81.432 flat angles C4'-P-C4' energy: -93.811 flat angles P-C4'-P energy: -55.345 tors. eta vs tors. theta energy: -69.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -872.314856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.314856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.314856 (E_RNA) where: Base-Base interactions energy: -536.905 where: short stacking energy: -258.736 Base-Backbone interact. energy: 1.424 local terms energy: -336.833066 where: bonds (distance) C4'-P energy: -103.415 bonds (distance) P-C4' energy: -78.692 flat angles C4'-P-C4' energy: -60.467 flat angles P-C4'-P energy: -58.074 tors. eta vs tors. theta energy: -36.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -435.544904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.544904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.544904 (E_RNA) where: Base-Base interactions energy: -143.912 where: short stacking energy: -122.985 Base-Backbone interact. energy: -1.990 local terms energy: -289.643026 where: bonds (distance) C4'-P energy: -90.038 bonds (distance) P-C4' energy: -78.499 flat angles C4'-P-C4' energy: -96.374 flat angles P-C4'-P energy: -50.837 tors. eta vs tors. theta energy: 26.104 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: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1927.639973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.639973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.639973 (E_RNA) where: Base-Base interactions energy: -1355.121 where: short stacking energy: -585.946 Base-Backbone interact. energy: -1.527 local terms energy: -570.991848 where: bonds (distance) C4'-P energy: -107.183 bonds (distance) P-C4' energy: -99.141 flat angles C4'-P-C4' energy: -119.160 flat angles P-C4'-P energy: -81.553 tors. eta vs tors. theta energy: -163.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1880.352802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.352802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.352802 (E_RNA) where: Base-Base interactions energy: -1295.912 where: short stacking energy: -561.715 Base-Backbone interact. energy: -1.780 local terms energy: -582.660998 where: bonds (distance) C4'-P energy: -107.472 bonds (distance) P-C4' energy: -112.187 flat angles C4'-P-C4' energy: -119.469 flat angles P-C4'-P energy: -80.580 tors. eta vs tors. theta energy: -162.953 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: 325 Temperature: 1.000000 Total energy: -1843.770286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.770286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.770286 (E_RNA) where: Base-Base interactions energy: -1282.276 where: short stacking energy: -553.407 Base-Backbone interact. energy: -1.106 local terms energy: -560.388157 where: bonds (distance) C4'-P energy: -86.360 bonds (distance) P-C4' energy: -107.653 flat angles C4'-P-C4' energy: -126.431 flat angles P-C4'-P energy: -81.759 tors. eta vs tors. theta energy: -158.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1666.957009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.957009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.957009 (E_RNA) where: Base-Base interactions energy: -1136.102 where: short stacking energy: -502.122 Base-Backbone interact. energy: -1.130 local terms energy: -529.725221 where: bonds (distance) C4'-P energy: -98.500 bonds (distance) P-C4' energy: -96.234 flat angles C4'-P-C4' energy: -108.653 flat angles P-C4'-P energy: -73.634 tors. eta vs tors. theta energy: -152.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1592.808881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.808881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.808881 (E_RNA) where: Base-Base interactions energy: -1069.010 where: short stacking energy: -450.780 Base-Backbone interact. energy: -1.654 local terms energy: -522.144667 where: bonds (distance) C4'-P energy: -89.974 bonds (distance) P-C4' energy: -100.686 flat angles C4'-P-C4' energy: -109.316 flat angles P-C4'-P energy: -79.184 tors. eta vs tors. theta energy: -142.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1519.701727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.701727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.701727 (E_RNA) where: Base-Base interactions energy: -1051.434 where: short stacking energy: -422.262 Base-Backbone interact. energy: -1.089 local terms energy: -467.178193 where: bonds (distance) C4'-P energy: -86.797 bonds (distance) P-C4' energy: -82.793 flat angles C4'-P-C4' energy: -109.922 flat angles P-C4'-P energy: -76.156 tors. eta vs tors. theta energy: -111.510 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: 7, replica: 6 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1371.124299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.124299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.124299 (E_RNA) where: Base-Base interactions energy: -952.343 where: short stacking energy: -399.263 Base-Backbone interact. energy: -0.802 local terms energy: -417.980206 where: bonds (distance) C4'-P energy: -93.870 bonds (distance) P-C4' energy: -78.838 flat angles C4'-P-C4' energy: -95.014 flat angles P-C4'-P energy: -54.225 tors. eta vs tors. theta energy: -96.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1202.687617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.687617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.687617 (E_RNA) where: Base-Base interactions energy: -800.104 where: short stacking energy: -347.445 Base-Backbone interact. energy: 0.514 local terms energy: -403.097408 where: bonds (distance) C4'-P energy: -89.900 bonds (distance) P-C4' energy: -81.688 flat angles C4'-P-C4' energy: -99.569 flat angles P-C4'-P energy: -55.621 tors. eta vs tors. theta energy: -76.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -848.430600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.430600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.430600 (E_RNA) where: Base-Base interactions energy: -492.925 where: short stacking energy: -223.871 Base-Backbone interact. energy: 0.456 local terms energy: -355.961668 where: bonds (distance) C4'-P energy: -81.922 bonds (distance) P-C4' energy: -92.279 flat angles C4'-P-C4' energy: -83.176 flat angles P-C4'-P energy: -65.811 tors. eta vs tors. theta energy: -32.774 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: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -426.473434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.473434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.473434 (E_RNA) where: Base-Base interactions energy: -160.120 where: short stacking energy: -124.245 Base-Backbone interact. energy: 0.876 local terms energy: -267.228743 where: bonds (distance) C4'-P energy: -84.195 bonds (distance) P-C4' energy: -96.778 flat angles C4'-P-C4' energy: -69.456 flat angles P-C4'-P energy: -43.287 tors. eta vs tors. theta energy: 26.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1931.123382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.123382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.123382 (E_RNA) where: Base-Base interactions energy: -1342.610 where: short stacking energy: -584.148 Base-Backbone interact. energy: -0.412 local terms energy: -588.101514 where: bonds (distance) C4'-P energy: -105.869 bonds (distance) P-C4' energy: -102.698 flat angles C4'-P-C4' energy: -119.483 flat angles P-C4'-P energy: -85.729 tors. eta vs tors. theta energy: -174.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1878.475499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.475499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.475499 (E_RNA) where: Base-Base interactions energy: -1293.595 where: short stacking energy: -550.844 Base-Backbone interact. energy: -3.064 local terms energy: -581.816392 where: bonds (distance) C4'-P energy: -105.778 bonds (distance) P-C4' energy: -110.056 flat angles C4'-P-C4' energy: -118.423 flat angles P-C4'-P energy: -81.406 tors. eta vs tors. theta energy: -166.155 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: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1809.180389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.180389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.180389 (E_RNA) where: Base-Base interactions energy: -1238.873 where: short stacking energy: -547.123 Base-Backbone interact. energy: -2.363 local terms energy: -567.944698 where: bonds (distance) C4'-P energy: -96.450 bonds (distance) P-C4' energy: -99.865 flat angles C4'-P-C4' energy: -122.262 flat angles P-C4'-P energy: -79.983 tors. eta vs tors. theta energy: -169.385 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: 10 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1651.334705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.334705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.334705 (E_RNA) where: Base-Base interactions energy: -1108.206 where: short stacking energy: -484.526 Base-Backbone interact. energy: 0.809 local terms energy: -543.937594 where: bonds (distance) C4'-P energy: -102.899 bonds (distance) P-C4' energy: -123.898 flat angles C4'-P-C4' energy: -110.400 flat angles P-C4'-P energy: -66.375 tors. eta vs tors. theta energy: -140.365 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: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1615.218574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.218574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.218574 (E_RNA) where: Base-Base interactions energy: -1099.264 where: short stacking energy: -493.209 Base-Backbone interact. energy: 2.622 local terms energy: -518.576658 where: bonds (distance) C4'-P energy: -97.702 bonds (distance) P-C4' energy: -100.679 flat angles C4'-P-C4' energy: -108.453 flat angles P-C4'-P energy: -71.376 tors. eta vs tors. theta energy: -140.366 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: 6, replica: 1 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1490.154791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.154791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.154791 (E_RNA) where: Base-Base interactions energy: -994.482 where: short stacking energy: -421.815 Base-Backbone interact. energy: -1.815 local terms energy: -493.857755 where: bonds (distance) C4'-P energy: -109.277 bonds (distance) P-C4' energy: -94.014 flat angles C4'-P-C4' energy: -112.517 flat angles P-C4'-P energy: -51.490 tors. eta vs tors. theta energy: -126.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1365.962707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.962707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.962707 (E_RNA) where: Base-Base interactions energy: -925.733 where: short stacking energy: -399.142 Base-Backbone interact. energy: 0.309 local terms energy: -440.539003 where: bonds (distance) C4'-P energy: -96.706 bonds (distance) P-C4' energy: -86.402 flat angles C4'-P-C4' energy: -95.430 flat angles P-C4'-P energy: -69.420 tors. eta vs tors. theta energy: -92.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1182.712055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.712055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.712055 (E_RNA) where: Base-Base interactions energy: -772.139 where: short stacking energy: -308.479 Base-Backbone interact. energy: -1.227 local terms energy: -409.346114 where: bonds (distance) C4'-P energy: -78.437 bonds (distance) P-C4' energy: -100.552 flat angles C4'-P-C4' energy: -100.343 flat angles P-C4'-P energy: -59.231 tors. eta vs tors. theta energy: -70.783 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: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -870.045292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.045292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.045292 (E_RNA) where: Base-Base interactions energy: -507.499 where: short stacking energy: -240.126 Base-Backbone interact. energy: 0.213 local terms energy: -362.758374 where: bonds (distance) C4'-P energy: -107.535 bonds (distance) P-C4' energy: -95.360 flat angles C4'-P-C4' energy: -88.166 flat angles P-C4'-P energy: -39.985 tors. eta vs tors. theta energy: -31.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -409.600734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.600734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.600734 (E_RNA) where: Base-Base interactions energy: -132.116 where: short stacking energy: -99.994 Base-Backbone interact. energy: -1.551 local terms energy: -275.933062 where: bonds (distance) C4'-P energy: -79.259 bonds (distance) P-C4' energy: -99.797 flat angles C4'-P-C4' energy: -76.573 flat angles P-C4'-P energy: -52.985 tors. eta vs tors. theta energy: 32.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1931.152011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.152011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.152011 (E_RNA) where: Base-Base interactions energy: -1323.304 where: short stacking energy: -584.706 Base-Backbone interact. energy: -1.847 local terms energy: -606.000575 where: bonds (distance) C4'-P energy: -113.980 bonds (distance) P-C4' energy: -111.501 flat angles C4'-P-C4' energy: -121.425 flat angles P-C4'-P energy: -86.634 tors. eta vs tors. theta energy: -172.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1836.769265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.769265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.769265 (E_RNA) where: Base-Base interactions energy: -1261.678 where: short stacking energy: -531.852 Base-Backbone interact. energy: -1.814 local terms energy: -573.276901 where: bonds (distance) C4'-P energy: -105.395 bonds (distance) P-C4' energy: -108.393 flat angles C4'-P-C4' energy: -118.479 flat angles P-C4'-P energy: -82.089 tors. eta vs tors. theta energy: -158.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1799.910563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.910563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.910563 (E_RNA) where: Base-Base interactions energy: -1228.842 where: short stacking energy: -519.816 Base-Backbone interact. energy: -1.968 local terms energy: -569.100394 where: bonds (distance) C4'-P energy: -100.430 bonds (distance) P-C4' energy: -104.611 flat angles C4'-P-C4' energy: -120.643 flat angles P-C4'-P energy: -79.237 tors. eta vs tors. theta energy: -164.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1646.606399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.606399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.606399 (E_RNA) where: Base-Base interactions energy: -1097.455 where: short stacking energy: -475.696 Base-Backbone interact. energy: -1.130 local terms energy: -548.021052 where: bonds (distance) C4'-P energy: -105.174 bonds (distance) P-C4' energy: -119.381 flat angles C4'-P-C4' energy: -108.656 flat angles P-C4'-P energy: -73.452 tors. eta vs tors. theta energy: -141.357 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: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1583.743936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.743936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.743936 (E_RNA) where: Base-Base interactions energy: -1098.782 where: short stacking energy: -471.298 Base-Backbone interact. energy: 6.865 local terms energy: -491.826692 where: bonds (distance) C4'-P energy: -92.491 bonds (distance) P-C4' energy: -96.249 flat angles C4'-P-C4' energy: -111.552 flat angles P-C4'-P energy: -61.951 tors. eta vs tors. theta energy: -129.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1508.190754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.190754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.190754 (E_RNA) where: Base-Base interactions energy: -1037.879 where: short stacking energy: -431.152 Base-Backbone interact. energy: 2.860 local terms energy: -473.171660 where: bonds (distance) C4'-P energy: -94.246 bonds (distance) P-C4' energy: -94.683 flat angles C4'-P-C4' energy: -111.069 flat angles P-C4'-P energy: -49.653 tors. eta vs tors. theta energy: -123.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1374.367148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.367148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.367148 (E_RNA) where: Base-Base interactions energy: -919.190 where: short stacking energy: -390.620 Base-Backbone interact. energy: -2.934 local terms energy: -452.243034 where: bonds (distance) C4'-P energy: -88.028 bonds (distance) P-C4' energy: -92.200 flat angles C4'-P-C4' energy: -109.505 flat angles P-C4'-P energy: -62.143 tors. eta vs tors. theta energy: -100.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1228.591598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.591598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.591598 (E_RNA) where: Base-Base interactions energy: -823.656 where: short stacking energy: -328.588 Base-Backbone interact. energy: -1.032 local terms energy: -403.903674 where: bonds (distance) C4'-P energy: -88.896 bonds (distance) P-C4' energy: -101.208 flat angles C4'-P-C4' energy: -97.015 flat angles P-C4'-P energy: -54.438 tors. eta vs tors. theta energy: -62.346 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: 327 Temperature: 1.300000 Total energy: -792.830371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.830371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.830371 (E_RNA) where: Base-Base interactions energy: -461.777 where: short stacking energy: -209.222 Base-Backbone interact. energy: -2.011 local terms energy: -329.042337 where: bonds (distance) C4'-P energy: -72.585 bonds (distance) P-C4' energy: -103.520 flat angles C4'-P-C4' energy: -77.734 flat angles P-C4'-P energy: -51.632 tors. eta vs tors. theta energy: -23.571 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: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -428.307560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.307560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.307560 (E_RNA) where: Base-Base interactions energy: -151.078 where: short stacking energy: -123.391 Base-Backbone interact. energy: -0.857 local terms energy: -276.372832 where: bonds (distance) C4'-P energy: -88.386 bonds (distance) P-C4' energy: -88.151 flat angles C4'-P-C4' energy: -88.619 flat angles P-C4'-P energy: -38.751 tors. eta vs tors. theta energy: 27.534 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: 1, replica: 7 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1946.955962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.955962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.955962 (E_RNA) where: Base-Base interactions energy: -1335.692 where: short stacking energy: -594.165 Base-Backbone interact. energy: -3.210 local terms energy: -608.054670 where: bonds (distance) C4'-P energy: -119.042 bonds (distance) P-C4' energy: -107.085 flat angles C4'-P-C4' energy: -135.846 flat angles P-C4'-P energy: -72.537 tors. eta vs tors. theta energy: -173.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1866.758049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.758049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.758049 (E_RNA) where: Base-Base interactions energy: -1300.551 where: short stacking energy: -543.987 Base-Backbone interact. energy: -2.669 local terms energy: -563.538138 where: bonds (distance) C4'-P energy: -93.603 bonds (distance) P-C4' energy: -96.081 flat angles C4'-P-C4' energy: -128.778 flat angles P-C4'-P energy: -78.301 tors. eta vs tors. theta energy: -166.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1791.750087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.750087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.750087 (E_RNA) where: Base-Base interactions energy: -1249.460 where: short stacking energy: -544.056 Base-Backbone interact. energy: -4.401 local terms energy: -537.889873 where: bonds (distance) C4'-P energy: -91.881 bonds (distance) P-C4' energy: -89.735 flat angles C4'-P-C4' energy: -116.546 flat angles P-C4'-P energy: -83.265 tors. eta vs tors. theta energy: -156.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1676.707230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.707230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.707230 (E_RNA) where: Base-Base interactions energy: -1132.941 where: short stacking energy: -490.327 Base-Backbone interact. energy: 0.046 local terms energy: -543.812647 where: bonds (distance) C4'-P energy: -105.909 bonds (distance) P-C4' energy: -93.899 flat angles C4'-P-C4' energy: -127.545 flat angles P-C4'-P energy: -72.792 tors. eta vs tors. theta energy: -143.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1564.327640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.327640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.327640 (E_RNA) where: Base-Base interactions energy: -1059.696 where: short stacking energy: -461.006 Base-Backbone interact. energy: -2.833 local terms energy: -501.797998 where: bonds (distance) C4'-P energy: -89.711 bonds (distance) P-C4' energy: -93.751 flat angles C4'-P-C4' energy: -112.538 flat angles P-C4'-P energy: -78.284 tors. eta vs tors. theta energy: -127.514 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: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1528.811264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.811264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.811264 (E_RNA) where: Base-Base interactions energy: -1055.938 where: short stacking energy: -449.208 Base-Backbone interact. energy: -0.920 local terms energy: -471.954020 where: bonds (distance) C4'-P energy: -82.157 bonds (distance) P-C4' energy: -97.282 flat angles C4'-P-C4' energy: -103.013 flat angles P-C4'-P energy: -60.502 tors. eta vs tors. theta energy: -129.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1376.231747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.231747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.231747 (E_RNA) where: Base-Base interactions energy: -936.878 where: short stacking energy: -390.767 Base-Backbone interact. energy: -1.747 local terms energy: -437.606277 where: bonds (distance) C4'-P energy: -99.068 bonds (distance) P-C4' energy: -98.208 flat angles C4'-P-C4' energy: -85.362 flat angles P-C4'-P energy: -57.138 tors. eta vs tors. theta energy: -97.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1251.862019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.862019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.862019 (E_RNA) where: Base-Base interactions energy: -834.906 where: short stacking energy: -345.927 Base-Backbone interact. energy: -1.239 local terms energy: -415.716989 where: bonds (distance) C4'-P energy: -81.895 bonds (distance) P-C4' energy: -98.994 flat angles C4'-P-C4' energy: -102.584 flat angles P-C4'-P energy: -67.227 tors. eta vs tors. theta energy: -65.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -837.814916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.814916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.814916 (E_RNA) where: Base-Base interactions energy: -493.071 where: short stacking energy: -249.711 Base-Backbone interact. energy: 1.146 local terms energy: -345.889847 where: bonds (distance) C4'-P energy: -77.622 bonds (distance) P-C4' energy: -85.523 flat angles C4'-P-C4' energy: -82.206 flat angles P-C4'-P energy: -60.638 tors. eta vs tors. theta energy: -39.901 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: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -456.670919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.670919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.670919 (E_RNA) where: Base-Base interactions energy: -154.863 where: short stacking energy: -140.146 Base-Backbone interact. energy: 0.948 local terms energy: -302.756024 where: bonds (distance) C4'-P energy: -83.934 bonds (distance) P-C4' energy: -103.626 flat angles C4'-P-C4' energy: -77.370 flat angles P-C4'-P energy: -35.568 tors. eta vs tors. theta energy: -2.259 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: 7 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1950.371399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.371399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.371399 (E_RNA) where: Base-Base interactions energy: -1359.595 where: short stacking energy: -574.695 Base-Backbone interact. energy: -1.047 local terms energy: -589.729463 where: bonds (distance) C4'-P energy: -108.684 bonds (distance) P-C4' energy: -110.598 flat angles C4'-P-C4' energy: -122.211 flat angles P-C4'-P energy: -68.905 tors. eta vs tors. theta energy: -179.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1854.365534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.365534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.365534 (E_RNA) where: Base-Base interactions energy: -1266.513 where: short stacking energy: -543.330 Base-Backbone interact. energy: -4.896 local terms energy: -582.955854 where: bonds (distance) C4'-P energy: -106.266 bonds (distance) P-C4' energy: -104.097 flat angles C4'-P-C4' energy: -120.370 flat angles P-C4'-P energy: -86.827 tors. eta vs tors. theta energy: -165.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1823.242110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.242110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.242110 (E_RNA) where: Base-Base interactions energy: -1267.121 where: short stacking energy: -530.894 Base-Backbone interact. energy: -1.107 local terms energy: -555.013678 where: bonds (distance) C4'-P energy: -107.766 bonds (distance) P-C4' energy: -100.659 flat angles C4'-P-C4' energy: -111.380 flat angles P-C4'-P energy: -75.117 tors. eta vs tors. theta energy: -160.091 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: 10 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1653.465822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.465822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.465822 (E_RNA) where: Base-Base interactions energy: -1134.354 where: short stacking energy: -499.091 Base-Backbone interact. energy: 0.465 local terms energy: -519.577296 where: bonds (distance) C4'-P energy: -98.217 bonds (distance) P-C4' energy: -101.620 flat angles C4'-P-C4' energy: -113.415 flat angles P-C4'-P energy: -77.008 tors. eta vs tors. theta energy: -129.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1604.463610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.463610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.463610 (E_RNA) where: Base-Base interactions energy: -1074.433 where: short stacking energy: -464.799 Base-Backbone interact. energy: -1.144 local terms energy: -528.886553 where: bonds (distance) C4'-P energy: -108.910 bonds (distance) P-C4' energy: -104.428 flat angles C4'-P-C4' energy: -114.646 flat angles P-C4'-P energy: -69.834 tors. eta vs tors. theta energy: -131.068 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: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1473.215163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.215163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.215163 (E_RNA) where: Base-Base interactions energy: -1028.847 where: short stacking energy: -438.991 Base-Backbone interact. energy: -1.311 local terms energy: -443.057605 where: bonds (distance) C4'-P energy: -85.004 bonds (distance) P-C4' energy: -76.232 flat angles C4'-P-C4' energy: -108.620 flat angles P-C4'-P energy: -65.591 tors. eta vs tors. theta energy: -107.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1421.456600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.456600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.456600 (E_RNA) where: Base-Base interactions energy: -955.787 where: short stacking energy: -444.179 Base-Backbone interact. energy: 1.897 local terms energy: -467.566787 where: bonds (distance) C4'-P energy: -97.601 bonds (distance) P-C4' energy: -92.435 flat angles C4'-P-C4' energy: -96.493 flat angles P-C4'-P energy: -49.174 tors. eta vs tors. theta energy: -131.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1269.342548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.342548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.342548 (E_RNA) where: Base-Base interactions energy: -849.986 where: short stacking energy: -364.992 Base-Backbone interact. energy: -0.637 local terms energy: -418.719967 where: bonds (distance) C4'-P energy: -89.824 bonds (distance) P-C4' energy: -102.164 flat angles C4'-P-C4' energy: -80.516 flat angles P-C4'-P energy: -53.545 tors. eta vs tors. theta energy: -92.672 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: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -792.043633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.043633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.043633 (E_RNA) where: Base-Base interactions energy: -448.072 where: short stacking energy: -216.809 Base-Backbone interact. energy: -4.480 local terms energy: -339.491143 where: bonds (distance) C4'-P energy: -86.184 bonds (distance) P-C4' energy: -97.234 flat angles C4'-P-C4' energy: -86.634 flat angles P-C4'-P energy: -33.418 tors. eta vs tors. theta energy: -36.022 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: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -444.559361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.559361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.559361 (E_RNA) where: Base-Base interactions energy: -149.687 where: short stacking energy: -128.984 Base-Backbone interact. energy: -0.257 local terms energy: -294.615933 where: bonds (distance) C4'-P energy: -86.820 bonds (distance) P-C4' energy: -85.468 flat angles C4'-P-C4' energy: -83.888 flat angles P-C4'-P energy: -61.498 tors. eta vs tors. theta energy: 23.059 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: 7 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1926.584091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.584091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.584091 (E_RNA) where: Base-Base interactions energy: -1335.091 where: short stacking energy: -567.498 Base-Backbone interact. energy: -2.746 local terms energy: -588.747425 where: bonds (distance) C4'-P energy: -104.280 bonds (distance) P-C4' energy: -105.430 flat angles C4'-P-C4' energy: -128.675 flat angles P-C4'-P energy: -82.679 tors. eta vs tors. theta energy: -167.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1869.505216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.505216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.505216 (E_RNA) where: Base-Base interactions energy: -1289.431 where: short stacking energy: -558.514 Base-Backbone interact. energy: 2.337 local terms energy: -582.411226 where: bonds (distance) C4'-P energy: -104.933 bonds (distance) P-C4' energy: -110.959 flat angles C4'-P-C4' energy: -117.367 flat angles P-C4'-P energy: -82.950 tors. eta vs tors. theta energy: -166.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1822.793209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.793209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.793209 (E_RNA) where: Base-Base interactions energy: -1258.049 where: short stacking energy: -551.233 Base-Backbone interact. energy: -2.946 local terms energy: -561.798131 where: bonds (distance) C4'-P energy: -90.002 bonds (distance) P-C4' energy: -105.178 flat angles C4'-P-C4' energy: -115.603 flat angles P-C4'-P energy: -81.301 tors. eta vs tors. theta energy: -169.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1633.272297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.272297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.272297 (E_RNA) where: Base-Base interactions energy: -1096.465 where: short stacking energy: -497.572 Base-Backbone interact. energy: -0.081 local terms energy: -536.726383 where: bonds (distance) C4'-P energy: -93.543 bonds (distance) P-C4' energy: -110.761 flat angles C4'-P-C4' energy: -108.994 flat angles P-C4'-P energy: -91.333 tors. eta vs tors. theta energy: -132.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1615.484621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.484621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.484621 (E_RNA) where: Base-Base interactions energy: -1065.192 where: short stacking energy: -447.316 Base-Backbone interact. energy: -1.780 local terms energy: -548.512871 where: bonds (distance) C4'-P energy: -108.649 bonds (distance) P-C4' energy: -106.967 flat angles C4'-P-C4' energy: -114.780 flat angles P-C4'-P energy: -82.675 tors. eta vs tors. theta energy: -135.442 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: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1475.953530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.953530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.953530 (E_RNA) where: Base-Base interactions energy: -1008.944 where: short stacking energy: -425.462 Base-Backbone interact. energy: -1.446 local terms energy: -465.563107 where: bonds (distance) C4'-P energy: -77.795 bonds (distance) P-C4' energy: -94.263 flat angles C4'-P-C4' energy: -111.671 flat angles P-C4'-P energy: -62.340 tors. eta vs tors. theta energy: -119.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1434.763474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.763474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.763474 (E_RNA) where: Base-Base interactions energy: -976.711 where: short stacking energy: -410.237 Base-Backbone interact. energy: 3.206 local terms energy: -461.258390 where: bonds (distance) C4'-P energy: -84.181 bonds (distance) P-C4' energy: -89.204 flat angles C4'-P-C4' energy: -101.901 flat angles P-C4'-P energy: -74.349 tors. eta vs tors. theta energy: -111.623 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: 2 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1292.298947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.298947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.298947 (E_RNA) where: Base-Base interactions energy: -864.505 where: short stacking energy: -359.094 Base-Backbone interact. energy: -0.512 local terms energy: -427.281981 where: bonds (distance) C4'-P energy: -82.293 bonds (distance) P-C4' energy: -96.684 flat angles C4'-P-C4' energy: -104.221 flat angles P-C4'-P energy: -61.922 tors. eta vs tors. theta energy: -82.163 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: 330 Temperature: 1.300000 Total energy: -856.101041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.101041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.101041 (E_RNA) where: Base-Base interactions energy: -500.603 where: short stacking energy: -262.164 Base-Backbone interact. energy: 6.186 local terms energy: -361.684485 where: bonds (distance) C4'-P energy: -84.426 bonds (distance) P-C4' energy: -108.208 flat angles C4'-P-C4' energy: -88.160 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -36.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -450.397416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.397416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.397416 (E_RNA) where: Base-Base interactions energy: -127.570 where: short stacking energy: -104.120 Base-Backbone interact. energy: 2.853 local terms energy: -325.679891 where: bonds (distance) C4'-P energy: -107.681 bonds (distance) P-C4' energy: -108.024 flat angles C4'-P-C4' energy: -80.795 flat angles P-C4'-P energy: -43.307 tors. eta vs tors. theta energy: 14.128 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: 7 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1928.268409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.268409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.268409 (E_RNA) where: Base-Base interactions energy: -1328.041 where: short stacking energy: -566.117 Base-Backbone interact. energy: -2.980 local terms energy: -597.247119 where: bonds (distance) C4'-P energy: -100.679 bonds (distance) P-C4' energy: -114.725 flat angles C4'-P-C4' energy: -126.605 flat angles P-C4'-P energy: -82.876 tors. eta vs tors. theta energy: -172.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1862.134680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.134680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.134680 (E_RNA) where: Base-Base interactions energy: -1286.078 where: short stacking energy: -558.396 Base-Backbone interact. energy: -2.355 local terms energy: -573.701065 where: bonds (distance) C4'-P energy: -99.820 bonds (distance) P-C4' energy: -107.508 flat angles C4'-P-C4' energy: -117.718 flat angles P-C4'-P energy: -79.262 tors. eta vs tors. theta energy: -169.393 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: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1825.913108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.913108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.913108 (E_RNA) where: Base-Base interactions energy: -1254.317 where: short stacking energy: -521.571 Base-Backbone interact. energy: -2.563 local terms energy: -569.033069 where: bonds (distance) C4'-P energy: -108.424 bonds (distance) P-C4' energy: -101.048 flat angles C4'-P-C4' energy: -121.530 flat angles P-C4'-P energy: -77.389 tors. eta vs tors. theta energy: -160.642 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: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1646.747600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.747600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.747600 (E_RNA) where: Base-Base interactions energy: -1124.243 where: short stacking energy: -489.715 Base-Backbone interact. energy: -1.320 local terms energy: -521.185019 where: bonds (distance) C4'-P energy: -98.008 bonds (distance) P-C4' energy: -98.887 flat angles C4'-P-C4' energy: -114.394 flat angles P-C4'-P energy: -70.356 tors. eta vs tors. theta energy: -139.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1587.593927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.593927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.593927 (E_RNA) where: Base-Base interactions energy: -1093.550 where: short stacking energy: -470.265 Base-Backbone interact. energy: -0.924 local terms energy: -493.120121 where: bonds (distance) C4'-P energy: -98.833 bonds (distance) P-C4' energy: -98.393 flat angles C4'-P-C4' energy: -108.977 flat angles P-C4'-P energy: -55.801 tors. eta vs tors. theta energy: -131.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1510.113030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.113030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.113030 (E_RNA) where: Base-Base interactions energy: -1006.720 where: short stacking energy: -435.443 Base-Backbone interact. energy: -2.109 local terms energy: -501.283791 where: bonds (distance) C4'-P energy: -97.625 bonds (distance) P-C4' energy: -100.977 flat angles C4'-P-C4' energy: -109.833 flat angles P-C4'-P energy: -71.413 tors. eta vs tors. theta energy: -121.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1423.647277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.647277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.647277 (E_RNA) where: Base-Base interactions energy: -949.632 where: short stacking energy: -411.830 Base-Backbone interact. energy: 2.573 local terms energy: -476.588424 where: bonds (distance) C4'-P energy: -96.427 bonds (distance) P-C4' energy: -112.583 flat angles C4'-P-C4' energy: -100.502 flat angles P-C4'-P energy: -65.974 tors. eta vs tors. theta energy: -101.102 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: 2 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1242.773020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.773020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.773020 (E_RNA) where: Base-Base interactions energy: -817.234 where: short stacking energy: -370.189 Base-Backbone interact. energy: 1.640 local terms energy: -427.178865 where: bonds (distance) C4'-P energy: -91.122 bonds (distance) P-C4' energy: -89.478 flat angles C4'-P-C4' energy: -97.863 flat angles P-C4'-P energy: -58.747 tors. eta vs tors. theta energy: -89.969 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: 331 Temperature: 1.300000 Total energy: -839.854853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.854853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.854853 (E_RNA) where: Base-Base interactions energy: -499.205 where: short stacking energy: -222.787 Base-Backbone interact. energy: -3.759 local terms energy: -336.891223 where: bonds (distance) C4'-P energy: -77.630 bonds (distance) P-C4' energy: -94.249 flat angles C4'-P-C4' energy: -82.835 flat angles P-C4'-P energy: -60.344 tors. eta vs tors. theta energy: -21.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -451.721944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.721944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.721944 (E_RNA) where: Base-Base interactions energy: -181.200 where: short stacking energy: -129.166 Base-Backbone interact. energy: -2.169 local terms energy: -268.353290 where: bonds (distance) C4'-P energy: -85.005 bonds (distance) P-C4' energy: -84.730 flat angles C4'-P-C4' energy: -78.728 flat angles P-C4'-P energy: -28.434 tors. eta vs tors. theta energy: 8.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1936.354699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.354699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.354699 (E_RNA) where: Base-Base interactions energy: -1324.045 where: short stacking energy: -567.290 Base-Backbone interact. energy: -0.417 local terms energy: -611.892211 where: bonds (distance) C4'-P energy: -108.983 bonds (distance) P-C4' energy: -103.658 flat angles C4'-P-C4' energy: -126.081 flat angles P-C4'-P energy: -93.600 tors. eta vs tors. theta energy: -179.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1870.048683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.048683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.048683 (E_RNA) where: Base-Base interactions energy: -1293.015 where: short stacking energy: -542.883 Base-Backbone interact. energy: -1.831 local terms energy: -575.202990 where: bonds (distance) C4'-P energy: -111.698 bonds (distance) P-C4' energy: -96.389 flat angles C4'-P-C4' energy: -117.048 flat angles P-C4'-P energy: -88.258 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: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1804.731089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.731089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.731089 (E_RNA) where: Base-Base interactions energy: -1247.850 where: short stacking energy: -528.016 Base-Backbone interact. energy: -3.332 local terms energy: -553.548533 where: bonds (distance) C4'-P energy: -101.072 bonds (distance) P-C4' energy: -101.862 flat angles C4'-P-C4' energy: -115.123 flat angles P-C4'-P energy: -85.948 tors. eta vs tors. theta energy: -149.544 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: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1655.604062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.604062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.604062 (E_RNA) where: Base-Base interactions energy: -1133.010 where: short stacking energy: -508.636 Base-Backbone interact. energy: -2.212 local terms energy: -520.381997 where: bonds (distance) C4'-P energy: -107.127 bonds (distance) P-C4' energy: -91.220 flat angles C4'-P-C4' energy: -113.917 flat angles P-C4'-P energy: -65.492 tors. eta vs tors. theta energy: -142.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1578.661257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.661257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.661257 (E_RNA) where: Base-Base interactions energy: -1086.357 where: short stacking energy: -478.165 Base-Backbone interact. energy: -1.999 local terms energy: -490.304868 where: bonds (distance) C4'-P energy: -89.817 bonds (distance) P-C4' energy: -87.682 flat angles C4'-P-C4' energy: -105.618 flat angles P-C4'-P energy: -78.559 tors. eta vs tors. theta energy: -128.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1553.075448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.075448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.075448 (E_RNA) where: Base-Base interactions energy: -1074.280 where: short stacking energy: -472.751 Base-Backbone interact. energy: -1.113 local terms energy: -477.682478 where: bonds (distance) C4'-P energy: -98.075 bonds (distance) P-C4' energy: -100.536 flat angles C4'-P-C4' energy: -101.268 flat angles P-C4'-P energy: -45.687 tors. eta vs tors. theta energy: -132.117 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: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1406.472585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.472585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.472585 (E_RNA) where: Base-Base interactions energy: -947.396 where: short stacking energy: -394.433 Base-Backbone interact. energy: 3.313 local terms energy: -462.389627 where: bonds (distance) C4'-P energy: -108.861 bonds (distance) P-C4' energy: -92.946 flat angles C4'-P-C4' energy: -106.676 flat angles P-C4'-P energy: -60.141 tors. eta vs tors. theta energy: -93.765 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: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1278.998570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.998570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.998570 (E_RNA) where: Base-Base interactions energy: -875.639 where: short stacking energy: -363.347 Base-Backbone interact. energy: -1.562 local terms energy: -401.797300 where: bonds (distance) C4'-P energy: -72.846 bonds (distance) P-C4' energy: -89.182 flat angles C4'-P-C4' energy: -93.075 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -87.270 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: 332 Temperature: 1.300000 Total energy: -769.430607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.430607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.430607 (E_RNA) where: Base-Base interactions energy: -451.744 where: short stacking energy: -215.901 Base-Backbone interact. energy: 2.657 local terms energy: -320.343093 where: bonds (distance) C4'-P energy: -76.116 bonds (distance) P-C4' energy: -91.084 flat angles C4'-P-C4' energy: -95.838 flat angles P-C4'-P energy: -44.968 tors. eta vs tors. theta energy: -12.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -472.817381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.817381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.817381 (E_RNA) where: Base-Base interactions energy: -172.575 where: short stacking energy: -119.313 Base-Backbone interact. energy: 3.116 local terms energy: -303.357686 where: bonds (distance) C4'-P energy: -74.947 bonds (distance) P-C4' energy: -95.098 flat angles C4'-P-C4' energy: -78.012 flat angles P-C4'-P energy: -61.199 tors. eta vs tors. theta energy: 5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1927.687665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.687665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.687665 (E_RNA) where: Base-Base interactions energy: -1330.110 where: short stacking energy: -586.388 Base-Backbone interact. energy: -2.712 local terms energy: -594.865881 where: bonds (distance) C4'-P energy: -118.753 bonds (distance) P-C4' energy: -117.655 flat angles C4'-P-C4' energy: -121.866 flat angles P-C4'-P energy: -67.650 tors. eta vs tors. theta energy: -168.941 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: 2, replica: 3 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1853.038020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.038020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.038020 (E_RNA) where: Base-Base interactions energy: -1255.844 where: short stacking energy: -546.370 Base-Backbone interact. energy: -0.667 local terms energy: -596.527053 where: bonds (distance) C4'-P energy: -112.090 bonds (distance) P-C4' energy: -106.663 flat angles C4'-P-C4' energy: -127.181 flat angles P-C4'-P energy: -82.822 tors. eta vs tors. theta energy: -167.771 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: 333 Temperature: 1.000000 Total energy: -1801.181993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.181993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.181993 (E_RNA) where: Base-Base interactions energy: -1206.485 where: short stacking energy: -534.419 Base-Backbone interact. energy: -2.828 local terms energy: -591.868408 where: bonds (distance) C4'-P energy: -115.623 bonds (distance) P-C4' energy: -103.093 flat angles C4'-P-C4' energy: -120.547 flat angles P-C4'-P energy: -85.674 tors. eta vs tors. theta energy: -166.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1647.133889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.133889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.133889 (E_RNA) where: Base-Base interactions energy: -1115.936 where: short stacking energy: -493.961 Base-Backbone interact. energy: -0.204 local terms energy: -530.993075 where: bonds (distance) C4'-P energy: -111.329 bonds (distance) P-C4' energy: -95.656 flat angles C4'-P-C4' energy: -115.228 flat angles P-C4'-P energy: -77.809 tors. eta vs tors. theta energy: -130.971 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: 10 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1552.939763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.939763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.939763 (E_RNA) where: Base-Base interactions energy: -1061.891 where: short stacking energy: -457.827 Base-Backbone interact. energy: 6.880 local terms energy: -497.928413 where: bonds (distance) C4'-P energy: -85.991 bonds (distance) P-C4' energy: -100.297 flat angles C4'-P-C4' energy: -110.893 flat angles P-C4'-P energy: -71.453 tors. eta vs tors. theta energy: -129.294 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: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1508.316216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.316216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.316216 (E_RNA) where: Base-Base interactions energy: -1017.211 where: short stacking energy: -448.339 Base-Backbone interact. energy: 0.895 local terms energy: -492.000266 where: bonds (distance) C4'-P energy: -95.290 bonds (distance) P-C4' energy: -97.088 flat angles C4'-P-C4' energy: -110.858 flat angles P-C4'-P energy: -66.761 tors. eta vs tors. theta energy: -122.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1415.243373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.243373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.243373 (E_RNA) where: Base-Base interactions energy: -976.588 where: short stacking energy: -410.335 Base-Backbone interact. energy: -2.253 local terms energy: -436.402197 where: bonds (distance) C4'-P energy: -70.734 bonds (distance) P-C4' energy: -112.361 flat angles C4'-P-C4' energy: -104.066 flat angles P-C4'-P energy: -54.182 tors. eta vs tors. theta energy: -95.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1281.583693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.583693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.583693 (E_RNA) where: Base-Base interactions energy: -877.255 where: short stacking energy: -391.239 Base-Backbone interact. energy: -0.732 local terms energy: -403.596282 where: bonds (distance) C4'-P energy: -87.170 bonds (distance) P-C4' energy: -89.738 flat angles C4'-P-C4' energy: -96.494 flat angles P-C4'-P energy: -45.993 tors. eta vs tors. theta energy: -84.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -782.602687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.602687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.602687 (E_RNA) where: Base-Base interactions energy: -427.446 where: short stacking energy: -214.498 Base-Backbone interact. energy: -1.372 local terms energy: -353.785032 where: bonds (distance) C4'-P energy: -94.170 bonds (distance) P-C4' energy: -89.931 flat angles C4'-P-C4' energy: -83.747 flat angles P-C4'-P energy: -53.761 tors. eta vs tors. theta energy: -32.176 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: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -476.426142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.426142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.426142 (E_RNA) where: Base-Base interactions energy: -201.592 where: short stacking energy: -114.352 Base-Backbone interact. energy: -2.064 local terms energy: -272.770453 where: bonds (distance) C4'-P energy: -89.051 bonds (distance) P-C4' energy: -102.752 flat angles C4'-P-C4' energy: -76.160 flat angles P-C4'-P energy: -29.846 tors. eta vs tors. theta energy: 25.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1923.897563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.897563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.897563 (E_RNA) where: Base-Base interactions energy: -1328.423 where: short stacking energy: -554.362 Base-Backbone interact. energy: -1.327 local terms energy: -594.147202 where: bonds (distance) C4'-P energy: -110.949 bonds (distance) P-C4' energy: -103.258 flat angles C4'-P-C4' energy: -115.789 flat angles P-C4'-P energy: -95.676 tors. eta vs tors. theta energy: -168.475 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: 334 Temperature: 0.950000 Total energy: -1822.236947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.236947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.236947 (E_RNA) where: Base-Base interactions energy: -1238.058 where: short stacking energy: -547.128 Base-Backbone interact. energy: -1.879 local terms energy: -582.300259 where: bonds (distance) C4'-P energy: -111.672 bonds (distance) P-C4' energy: -120.877 flat angles C4'-P-C4' energy: -122.036 flat angles P-C4'-P energy: -75.720 tors. eta vs tors. theta energy: -151.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1823.718900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.718900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.718900 (E_RNA) where: Base-Base interactions energy: -1238.937 where: short stacking energy: -542.179 Base-Backbone interact. energy: -5.192 local terms energy: -579.589391 where: bonds (distance) C4'-P energy: -108.341 bonds (distance) P-C4' energy: -97.414 flat angles C4'-P-C4' energy: -122.466 flat angles P-C4'-P energy: -81.243 tors. eta vs tors. theta energy: -170.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1642.968890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.968890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.968890 (E_RNA) where: Base-Base interactions energy: -1116.005 where: short stacking energy: -508.835 Base-Backbone interact. energy: -0.382 local terms energy: -526.581499 where: bonds (distance) C4'-P energy: -101.382 bonds (distance) P-C4' energy: -104.042 flat angles C4'-P-C4' energy: -111.448 flat angles P-C4'-P energy: -70.896 tors. eta vs tors. theta energy: -138.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1504.449632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.449632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.449632 (E_RNA) where: Base-Base interactions energy: -1014.376 where: short stacking energy: -448.930 Base-Backbone interact. energy: -2.380 local terms energy: -487.692958 where: bonds (distance) C4'-P energy: -106.244 bonds (distance) P-C4' energy: -97.823 flat angles C4'-P-C4' energy: -93.868 flat angles P-C4'-P energy: -73.160 tors. eta vs tors. theta energy: -116.599 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: 10 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1612.697106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.697106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.697106 (E_RNA) where: Base-Base interactions energy: -1104.203 where: short stacking energy: -479.049 Base-Backbone interact. energy: -3.523 local terms energy: -504.971843 where: bonds (distance) C4'-P energy: -96.063 bonds (distance) P-C4' energy: -103.075 flat angles C4'-P-C4' energy: -111.837 flat angles P-C4'-P energy: -69.746 tors. eta vs tors. theta energy: -124.251 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: 7, replica: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1388.428749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.428749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.428749 (E_RNA) where: Base-Base interactions energy: -970.416 where: short stacking energy: -377.978 Base-Backbone interact. energy: 6.516 local terms energy: -424.529093 where: bonds (distance) C4'-P energy: -77.421 bonds (distance) P-C4' energy: -96.519 flat angles C4'-P-C4' energy: -88.175 flat angles P-C4'-P energy: -60.257 tors. eta vs tors. theta energy: -102.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1252.196403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.196403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.196403 (E_RNA) where: Base-Base interactions energy: -840.498 where: short stacking energy: -378.064 Base-Backbone interact. energy: 1.033 local terms energy: -412.731932 where: bonds (distance) C4'-P energy: -83.287 bonds (distance) P-C4' energy: -76.222 flat angles C4'-P-C4' energy: -97.781 flat angles P-C4'-P energy: -62.383 tors. eta vs tors. theta energy: -93.058 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: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -867.730195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.730195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.730195 (E_RNA) where: Base-Base interactions energy: -491.136 where: short stacking energy: -254.292 Base-Backbone interact. energy: 1.820 local terms energy: -378.413980 where: bonds (distance) C4'-P energy: -85.713 bonds (distance) P-C4' energy: -103.372 flat angles C4'-P-C4' energy: -93.101 flat angles P-C4'-P energy: -56.519 tors. eta vs tors. theta energy: -39.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -420.208340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.208340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.208340 (E_RNA) where: Base-Base interactions energy: -146.912 where: short stacking energy: -113.373 Base-Backbone interact. energy: 6.084 local terms energy: -279.380295 where: bonds (distance) C4'-P energy: -83.299 bonds (distance) P-C4' energy: -86.320 flat angles C4'-P-C4' energy: -78.865 flat angles P-C4'-P energy: -48.531 tors. eta vs tors. theta energy: 17.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1933.538982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.538982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.538982 (E_RNA) where: Base-Base interactions energy: -1346.491 where: short stacking energy: -571.824 Base-Backbone interact. energy: -1.153 local terms energy: -585.895346 where: bonds (distance) C4'-P energy: -100.943 bonds (distance) P-C4' energy: -118.528 flat angles C4'-P-C4' energy: -123.725 flat angles P-C4'-P energy: -76.190 tors. eta vs tors. theta energy: -166.509 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: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1810.844320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.844320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.844320 (E_RNA) where: Base-Base interactions energy: -1236.322 where: short stacking energy: -512.846 Base-Backbone interact. energy: -0.984 local terms energy: -573.537942 where: bonds (distance) C4'-P energy: -114.027 bonds (distance) P-C4' energy: -108.707 flat angles C4'-P-C4' energy: -118.069 flat angles P-C4'-P energy: -78.152 tors. eta vs tors. theta energy: -154.582 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: 3, replica: 3 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1778.366312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.366312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.366312 (E_RNA) where: Base-Base interactions energy: -1221.533 where: short stacking energy: -526.002 Base-Backbone interact. energy: -4.349 local terms energy: -552.484703 where: bonds (distance) C4'-P energy: -103.319 bonds (distance) P-C4' energy: -92.316 flat angles C4'-P-C4' energy: -129.064 flat angles P-C4'-P energy: -78.111 tors. eta vs tors. theta energy: -149.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1680.666837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.666837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.666837 (E_RNA) where: Base-Base interactions energy: -1128.820 where: short stacking energy: -494.506 Base-Backbone interact. energy: -2.949 local terms energy: -548.897960 where: bonds (distance) C4'-P energy: -102.302 bonds (distance) P-C4' energy: -88.817 flat angles C4'-P-C4' energy: -123.008 flat angles P-C4'-P energy: -91.410 tors. eta vs tors. theta energy: -143.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1534.314790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.314790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.314790 (E_RNA) where: Base-Base interactions energy: -1030.711 where: short stacking energy: -448.059 Base-Backbone interact. energy: -1.339 local terms energy: -502.264751 where: bonds (distance) C4'-P energy: -97.530 bonds (distance) P-C4' energy: -91.558 flat angles C4'-P-C4' energy: -117.285 flat angles P-C4'-P energy: -74.367 tors. eta vs tors. theta energy: -121.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1569.111245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.111245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.111245 (E_RNA) where: Base-Base interactions energy: -1066.747 where: short stacking energy: -433.901 Base-Backbone interact. energy: 5.831 local terms energy: -508.195580 where: bonds (distance) C4'-P energy: -89.085 bonds (distance) P-C4' energy: -100.755 flat angles C4'-P-C4' energy: -117.886 flat angles P-C4'-P energy: -83.111 tors. eta vs tors. theta energy: -117.358 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: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1428.190281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.190281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.190281 (E_RNA) where: Base-Base interactions energy: -997.445 where: short stacking energy: -392.478 Base-Backbone interact. energy: -3.330 local terms energy: -427.414892 where: bonds (distance) C4'-P energy: -93.119 bonds (distance) P-C4' energy: -75.280 flat angles C4'-P-C4' energy: -84.780 flat angles P-C4'-P energy: -67.730 tors. eta vs tors. theta energy: -106.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1241.808640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.808640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.808640 (E_RNA) where: Base-Base interactions energy: -804.718 where: short stacking energy: -339.740 Base-Backbone interact. energy: -2.083 local terms energy: -435.007871 where: bonds (distance) C4'-P energy: -99.712 bonds (distance) P-C4' energy: -98.889 flat angles C4'-P-C4' energy: -84.647 flat angles P-C4'-P energy: -72.360 tors. eta vs tors. theta energy: -79.399 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: 335 Temperature: 1.300000 Total energy: -808.787107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.787107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.787107 (E_RNA) where: Base-Base interactions energy: -448.641 where: short stacking energy: -226.885 Base-Backbone interact. energy: -1.782 local terms energy: -358.364389 where: bonds (distance) C4'-P energy: -76.044 bonds (distance) P-C4' energy: -109.169 flat angles C4'-P-C4' energy: -83.938 flat angles P-C4'-P energy: -55.476 tors. eta vs tors. theta energy: -33.737 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: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -434.556828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.556828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.556828 (E_RNA) where: Base-Base interactions energy: -143.350 where: short stacking energy: -124.303 Base-Backbone interact. energy: -0.288 local terms energy: -290.918599 where: bonds (distance) C4'-P energy: -99.196 bonds (distance) P-C4' energy: -73.599 flat angles C4'-P-C4' energy: -84.852 flat angles P-C4'-P energy: -47.197 tors. eta vs tors. theta energy: 13.926 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: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1920.881283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.881283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.881283 (E_RNA) where: Base-Base interactions energy: -1314.463 where: short stacking energy: -558.673 Base-Backbone interact. energy: -3.530 local terms energy: -602.887991 where: bonds (distance) C4'-P energy: -104.126 bonds (distance) P-C4' energy: -109.278 flat angles C4'-P-C4' energy: -124.427 flat angles P-C4'-P energy: -94.590 tors. eta vs tors. theta energy: -170.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1838.886538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.886538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.886538 (E_RNA) where: Base-Base interactions energy: -1273.662 where: short stacking energy: -556.170 Base-Backbone interact. energy: -3.238 local terms energy: -561.985973 where: bonds (distance) C4'-P energy: -96.390 bonds (distance) P-C4' energy: -106.498 flat angles C4'-P-C4' energy: -127.538 flat angles P-C4'-P energy: -74.398 tors. eta vs tors. theta energy: -157.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1756.663717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.663717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.663717 (E_RNA) where: Base-Base interactions energy: -1227.290 where: short stacking energy: -530.531 Base-Backbone interact. energy: -1.043 local terms energy: -528.330830 where: bonds (distance) C4'-P energy: -89.626 bonds (distance) P-C4' energy: -95.815 flat angles C4'-P-C4' energy: -122.884 flat angles P-C4'-P energy: -64.304 tors. eta vs tors. theta energy: -155.703 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: 4 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1615.597048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.597048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.597048 (E_RNA) where: Base-Base interactions energy: -1086.663 where: short stacking energy: -481.360 Base-Backbone interact. energy: -0.316 local terms energy: -528.617798 where: bonds (distance) C4'-P energy: -87.607 bonds (distance) P-C4' energy: -111.098 flat angles C4'-P-C4' energy: -111.980 flat angles P-C4'-P energy: -82.009 tors. eta vs tors. theta energy: -135.925 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: 5, replica: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1604.344096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.344096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.344096 (E_RNA) where: Base-Base interactions energy: -1078.648 where: short stacking energy: -449.694 Base-Backbone interact. energy: -3.372 local terms energy: -522.324181 where: bonds (distance) C4'-P energy: -104.919 bonds (distance) P-C4' energy: -96.588 flat angles C4'-P-C4' energy: -118.444 flat angles P-C4'-P energy: -71.119 tors. eta vs tors. theta energy: -131.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1508.804078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.804078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.804078 (E_RNA) where: Base-Base interactions energy: -1025.804 where: short stacking energy: -439.073 Base-Backbone interact. energy: -1.987 local terms energy: -481.012464 where: bonds (distance) C4'-P energy: -95.803 bonds (distance) P-C4' energy: -90.213 flat angles C4'-P-C4' energy: -106.116 flat angles P-C4'-P energy: -67.917 tors. eta vs tors. theta energy: -120.963 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: 7, replica: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1450.652522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.652522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.652522 (E_RNA) where: Base-Base interactions energy: -968.703 where: short stacking energy: -422.363 Base-Backbone interact. energy: -2.043 local terms energy: -479.906157 where: bonds (distance) C4'-P energy: -103.874 bonds (distance) P-C4' energy: -97.294 flat angles C4'-P-C4' energy: -102.649 flat angles P-C4'-P energy: -70.743 tors. eta vs tors. theta energy: -105.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1238.916418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.916418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.916418 (E_RNA) where: Base-Base interactions energy: -820.887 where: short stacking energy: -354.138 Base-Backbone interact. energy: -0.387 local terms energy: -417.642726 where: bonds (distance) C4'-P energy: -93.493 bonds (distance) P-C4' energy: -94.844 flat angles C4'-P-C4' energy: -86.582 flat angles P-C4'-P energy: -55.971 tors. eta vs tors. theta energy: -86.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -773.528199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.528199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.528199 (E_RNA) where: Base-Base interactions energy: -456.060 where: short stacking energy: -223.911 Base-Backbone interact. energy: -1.232 local terms energy: -316.236294 where: bonds (distance) C4'-P energy: -81.928 bonds (distance) P-C4' energy: -89.095 flat angles C4'-P-C4' energy: -85.134 flat angles P-C4'-P energy: -41.866 tors. eta vs tors. theta energy: -18.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -430.927827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.927827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.927827 (E_RNA) where: Base-Base interactions energy: -166.768 where: short stacking energy: -146.441 Base-Backbone interact. energy: 4.029 local terms energy: -268.188626 where: bonds (distance) C4'-P energy: -79.951 bonds (distance) P-C4' energy: -90.432 flat angles C4'-P-C4' energy: -64.375 flat angles P-C4'-P energy: -45.014 tors. eta vs tors. theta energy: 11.584 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: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1912.325990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.325990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.325990 (E_RNA) where: Base-Base interactions energy: -1319.635 where: short stacking energy: -572.938 Base-Backbone interact. energy: -1.935 local terms energy: -590.755555 where: bonds (distance) C4'-P energy: -115.341 bonds (distance) P-C4' energy: -104.407 flat angles C4'-P-C4' energy: -126.880 flat angles P-C4'-P energy: -76.291 tors. eta vs tors. theta energy: -167.837 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: 2, replica: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1856.444100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.444100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.444100 (E_RNA) where: Base-Base interactions energy: -1279.299 where: short stacking energy: -544.335 Base-Backbone interact. energy: -3.486 local terms energy: -573.659045 where: bonds (distance) C4'-P energy: -109.890 bonds (distance) P-C4' energy: -109.536 flat angles C4'-P-C4' energy: -121.103 flat angles P-C4'-P energy: -74.742 tors. eta vs tors. theta energy: -158.388 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: 3 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1750.806126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.806126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.806126 (E_RNA) where: Base-Base interactions energy: -1222.634 where: short stacking energy: -517.966 Base-Backbone interact. energy: -1.257 local terms energy: -526.915051 where: bonds (distance) C4'-P energy: -90.145 bonds (distance) P-C4' energy: -92.340 flat angles C4'-P-C4' energy: -115.618 flat angles P-C4'-P energy: -84.793 tors. eta vs tors. theta energy: -144.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1646.202809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.202809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.202809 (E_RNA) where: Base-Base interactions energy: -1116.761 where: short stacking energy: -460.879 Base-Backbone interact. energy: -1.498 local terms energy: -527.944633 where: bonds (distance) C4'-P energy: -93.782 bonds (distance) P-C4' energy: -111.846 flat angles C4'-P-C4' energy: -122.298 flat angles P-C4'-P energy: -65.392 tors. eta vs tors. theta energy: -134.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1549.427423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.427423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.427423 (E_RNA) where: Base-Base interactions energy: -1060.526 where: short stacking energy: -466.984 Base-Backbone interact. energy: 1.353 local terms energy: -490.254164 where: bonds (distance) C4'-P energy: -98.717 bonds (distance) P-C4' energy: -96.305 flat angles C4'-P-C4' energy: -102.518 flat angles P-C4'-P energy: -70.923 tors. eta vs tors. theta energy: -121.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1471.239345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.239345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.239345 (E_RNA) where: Base-Base interactions energy: -1005.149 where: short stacking energy: -400.479 Base-Backbone interact. energy: -3.048 local terms energy: -463.042162 where: bonds (distance) C4'-P energy: -80.766 bonds (distance) P-C4' energy: -94.949 flat angles C4'-P-C4' energy: -112.360 flat angles P-C4'-P energy: -72.796 tors. eta vs tors. theta energy: -102.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1419.629621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.629621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.629621 (E_RNA) where: Base-Base interactions energy: -954.720 where: short stacking energy: -395.214 Base-Backbone interact. energy: 7.053 local terms energy: -471.962496 where: bonds (distance) C4'-P energy: -85.969 bonds (distance) P-C4' energy: -115.392 flat angles C4'-P-C4' energy: -110.382 flat angles P-C4'-P energy: -60.382 tors. eta vs tors. theta energy: -99.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1206.194783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.194783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.194783 (E_RNA) where: Base-Base interactions energy: -818.105 where: short stacking energy: -357.436 Base-Backbone interact. energy: 1.441 local terms energy: -389.530245 where: bonds (distance) C4'-P energy: -78.086 bonds (distance) P-C4' energy: -98.821 flat angles C4'-P-C4' energy: -98.034 flat angles P-C4'-P energy: -52.437 tors. eta vs tors. theta energy: -62.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -807.417489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.417489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.417489 (E_RNA) where: Base-Base interactions energy: -483.802 where: short stacking energy: -252.476 Base-Backbone interact. energy: 0.148 local terms energy: -323.762634 where: bonds (distance) C4'-P energy: -71.718 bonds (distance) P-C4' energy: -95.308 flat angles C4'-P-C4' energy: -84.208 flat angles P-C4'-P energy: -43.530 tors. eta vs tors. theta energy: -28.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -458.537872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.537872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.537872 (E_RNA) where: Base-Base interactions energy: -166.796 where: short stacking energy: -129.173 Base-Backbone interact. energy: 2.558 local terms energy: -294.299393 where: bonds (distance) C4'-P energy: -86.236 bonds (distance) P-C4' energy: -99.307 flat angles C4'-P-C4' energy: -83.265 flat angles P-C4'-P energy: -40.125 tors. eta vs tors. theta energy: 14.633 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: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1923.376827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.376827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.376827 (E_RNA) where: Base-Base interactions energy: -1324.111 where: short stacking energy: -574.725 Base-Backbone interact. energy: 1.027 local terms energy: -600.292880 where: bonds (distance) C4'-P energy: -102.520 bonds (distance) P-C4' energy: -112.707 flat angles C4'-P-C4' energy: -127.049 flat angles P-C4'-P energy: -90.368 tors. eta vs tors. theta energy: -167.649 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: 338 Temperature: 0.950000 Total energy: -1886.076306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.076306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.076306 (E_RNA) where: Base-Base interactions energy: -1296.276 where: short stacking energy: -565.265 Base-Backbone interact. energy: -0.086 local terms energy: -589.714207 where: bonds (distance) C4'-P energy: -102.064 bonds (distance) P-C4' energy: -112.604 flat angles C4'-P-C4' energy: -116.815 flat angles P-C4'-P energy: -98.333 tors. eta vs tors. theta energy: -159.898 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: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1780.861457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.861457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.861457 (E_RNA) where: Base-Base interactions energy: -1207.046 where: short stacking energy: -523.460 Base-Backbone interact. energy: -3.032 local terms energy: -570.783260 where: bonds (distance) C4'-P energy: -99.987 bonds (distance) P-C4' energy: -104.872 flat angles C4'-P-C4' energy: -126.670 flat angles P-C4'-P energy: -82.763 tors. eta vs tors. theta energy: -156.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1668.229248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.229248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.229248 (E_RNA) where: Base-Base interactions energy: -1147.824 where: short stacking energy: -482.189 Base-Backbone interact. energy: -0.967 local terms energy: -519.439050 where: bonds (distance) C4'-P energy: -96.933 bonds (distance) P-C4' energy: -103.182 flat angles C4'-P-C4' energy: -115.706 flat angles P-C4'-P energy: -72.062 tors. eta vs tors. theta energy: -131.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1506.134998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.134998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.134998 (E_RNA) where: Base-Base interactions energy: -1038.332 where: short stacking energy: -439.175 Base-Backbone interact. energy: -2.843 local terms energy: -464.959901 where: bonds (distance) C4'-P energy: -107.211 bonds (distance) P-C4' energy: -81.852 flat angles C4'-P-C4' energy: -97.497 flat angles P-C4'-P energy: -65.311 tors. eta vs tors. theta energy: -113.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1522.232037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.232037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.232037 (E_RNA) where: Base-Base interactions energy: -1029.455 where: short stacking energy: -442.437 Base-Backbone interact. energy: -3.306 local terms energy: -489.471685 where: bonds (distance) C4'-P energy: -97.642 bonds (distance) P-C4' energy: -94.108 flat angles C4'-P-C4' energy: -99.526 flat angles P-C4'-P energy: -76.193 tors. eta vs tors. theta energy: -122.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1427.008857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.008857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.008857 (E_RNA) where: Base-Base interactions energy: -957.305 where: short stacking energy: -401.836 Base-Backbone interact. energy: -0.572 local terms energy: -469.132057 where: bonds (distance) C4'-P energy: -97.911 bonds (distance) P-C4' energy: -104.031 flat angles C4'-P-C4' energy: -97.028 flat angles P-C4'-P energy: -63.640 tors. eta vs tors. theta energy: -106.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1251.811417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.811417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.811417 (E_RNA) where: Base-Base interactions energy: -841.680 where: short stacking energy: -353.483 Base-Backbone interact. energy: -2.339 local terms energy: -407.793201 where: bonds (distance) C4'-P energy: -79.120 bonds (distance) P-C4' energy: -92.615 flat angles C4'-P-C4' energy: -85.880 flat angles P-C4'-P energy: -70.709 tors. eta vs tors. theta energy: -79.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -858.499472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.499472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.499472 (E_RNA) where: Base-Base interactions energy: -514.536 where: short stacking energy: -246.559 Base-Backbone interact. energy: 1.390 local terms energy: -345.353884 where: bonds (distance) C4'-P energy: -90.859 bonds (distance) P-C4' energy: -98.866 flat angles C4'-P-C4' energy: -70.148 flat angles P-C4'-P energy: -43.772 tors. eta vs tors. theta energy: -41.710 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: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -460.162754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.162754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.162754 (E_RNA) where: Base-Base interactions energy: -200.572 where: short stacking energy: -125.772 Base-Backbone interact. energy: 0.425 local terms energy: -260.015733 where: bonds (distance) C4'-P energy: -86.770 bonds (distance) P-C4' energy: -93.943 flat angles C4'-P-C4' energy: -62.696 flat angles P-C4'-P energy: -29.560 tors. eta vs tors. theta energy: 12.954 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: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1930.584630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.584630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.584630 (E_RNA) where: Base-Base interactions energy: -1340.363 where: short stacking energy: -577.422 Base-Backbone interact. energy: -0.664 local terms energy: -589.557497 where: bonds (distance) C4'-P energy: -110.197 bonds (distance) P-C4' energy: -103.089 flat angles C4'-P-C4' energy: -120.516 flat angles P-C4'-P energy: -91.101 tors. eta vs tors. theta energy: -164.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1866.843296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.843296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.843296 (E_RNA) where: Base-Base interactions energy: -1306.003 where: short stacking energy: -581.668 Base-Backbone interact. energy: -3.370 local terms energy: -557.470862 where: bonds (distance) C4'-P energy: -79.788 bonds (distance) P-C4' energy: -109.369 flat angles C4'-P-C4' energy: -117.985 flat angles P-C4'-P energy: -77.268 tors. eta vs tors. theta energy: -173.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1794.636829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.636829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.636829 (E_RNA) where: Base-Base interactions energy: -1244.006 where: short stacking energy: -544.648 Base-Backbone interact. energy: -3.632 local terms energy: -546.998898 where: bonds (distance) C4'-P energy: -102.693 bonds (distance) P-C4' energy: -91.305 flat angles C4'-P-C4' energy: -111.359 flat angles P-C4'-P energy: -84.001 tors. eta vs tors. theta energy: -157.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1639.814709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.814709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.814709 (E_RNA) where: Base-Base interactions energy: -1147.078 where: short stacking energy: -477.075 Base-Backbone interact. energy: 6.633 local terms energy: -499.369747 where: bonds (distance) C4'-P energy: -106.744 bonds (distance) P-C4' energy: -93.458 flat angles C4'-P-C4' energy: -104.893 flat angles P-C4'-P energy: -68.332 tors. eta vs tors. theta energy: -125.943 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: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1520.891772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.891772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.891772 (E_RNA) where: Base-Base interactions energy: -1019.741 where: short stacking energy: -454.316 Base-Backbone interact. energy: 0.243 local terms energy: -501.393692 where: bonds (distance) C4'-P energy: -98.116 bonds (distance) P-C4' energy: -95.560 flat angles C4'-P-C4' energy: -112.235 flat angles P-C4'-P energy: -78.375 tors. eta vs tors. theta energy: -117.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1556.694236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.694236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.694236 (E_RNA) where: Base-Base interactions energy: -1048.613 where: short stacking energy: -459.947 Base-Backbone interact. energy: -3.038 local terms energy: -505.044116 where: bonds (distance) C4'-P energy: -83.882 bonds (distance) P-C4' energy: -93.116 flat angles C4'-P-C4' energy: -118.058 flat angles P-C4'-P energy: -73.942 tors. eta vs tors. theta energy: -136.046 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: 7, replica: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1426.927002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.927002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.927002 (E_RNA) where: Base-Base interactions energy: -977.871 where: short stacking energy: -424.323 Base-Backbone interact. energy: -3.954 local terms energy: -445.102633 where: bonds (distance) C4'-P energy: -93.932 bonds (distance) P-C4' energy: -91.438 flat angles C4'-P-C4' energy: -96.480 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -111.725 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: 2 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1227.987484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.987484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.987484 (E_RNA) where: Base-Base interactions energy: -799.016 where: short stacking energy: -344.164 Base-Backbone interact. energy: -2.593 local terms energy: -426.378274 where: bonds (distance) C4'-P energy: -82.744 bonds (distance) P-C4' energy: -95.038 flat angles C4'-P-C4' energy: -91.872 flat angles P-C4'-P energy: -69.202 tors. eta vs tors. theta energy: -87.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -841.328218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.328218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.328218 (E_RNA) where: Base-Base interactions energy: -497.102 where: short stacking energy: -224.557 Base-Backbone interact. energy: 1.042 local terms energy: -345.268068 where: bonds (distance) C4'-P energy: -87.392 bonds (distance) P-C4' energy: -110.662 flat angles C4'-P-C4' energy: -88.084 flat angles P-C4'-P energy: -48.617 tors. eta vs tors. theta energy: -10.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -482.941255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.941255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.941255 (E_RNA) where: Base-Base interactions energy: -218.851 where: short stacking energy: -136.584 Base-Backbone interact. energy: -1.978 local terms energy: -262.111504 where: bonds (distance) C4'-P energy: -82.884 bonds (distance) P-C4' energy: -104.892 flat angles C4'-P-C4' energy: -55.657 flat angles P-C4'-P energy: -35.460 tors. eta vs tors. theta energy: 16.781 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: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1954.939902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.939902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.939902 (E_RNA) where: Base-Base interactions energy: -1363.863 where: short stacking energy: -590.090 Base-Backbone interact. energy: -1.203 local terms energy: -589.873883 where: bonds (distance) C4'-P energy: -102.579 bonds (distance) P-C4' energy: -107.110 flat angles C4'-P-C4' energy: -132.028 flat angles P-C4'-P energy: -82.892 tors. eta vs tors. theta energy: -165.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1842.368914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.368914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.368914 (E_RNA) where: Base-Base interactions energy: -1279.450 where: short stacking energy: -541.650 Base-Backbone interact. energy: -4.850 local terms energy: -558.068948 where: bonds (distance) C4'-P energy: -103.490 bonds (distance) P-C4' energy: -88.703 flat angles C4'-P-C4' energy: -127.627 flat angles P-C4'-P energy: -75.860 tors. eta vs tors. theta energy: -162.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1738.652408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.652408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.652408 (E_RNA) where: Base-Base interactions energy: -1206.473 where: short stacking energy: -518.133 Base-Backbone interact. energy: -2.114 local terms energy: -530.065529 where: bonds (distance) C4'-P energy: -100.380 bonds (distance) P-C4' energy: -99.378 flat angles C4'-P-C4' energy: -116.023 flat angles P-C4'-P energy: -67.832 tors. eta vs tors. theta energy: -146.453 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: 4, replica: 10 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1673.143916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.143916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.143916 (E_RNA) where: Base-Base interactions energy: -1150.113 where: short stacking energy: -497.446 Base-Backbone interact. energy: -2.660 local terms energy: -520.370677 where: bonds (distance) C4'-P energy: -87.782 bonds (distance) P-C4' energy: -109.117 flat angles C4'-P-C4' energy: -106.676 flat angles P-C4'-P energy: -80.501 tors. eta vs tors. theta energy: -136.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1534.982858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.982858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.982858 (E_RNA) where: Base-Base interactions energy: -1040.661 where: short stacking energy: -444.606 Base-Backbone interact. energy: -1.288 local terms energy: -493.034211 where: bonds (distance) C4'-P energy: -100.568 bonds (distance) P-C4' energy: -93.612 flat angles C4'-P-C4' energy: -106.578 flat angles P-C4'-P energy: -78.418 tors. eta vs tors. theta energy: -113.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1528.404355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.404355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.404355 (E_RNA) where: Base-Base interactions energy: -1056.054 where: short stacking energy: -446.991 Base-Backbone interact. energy: 1.363 local terms energy: -473.712794 where: bonds (distance) C4'-P energy: -84.573 bonds (distance) P-C4' energy: -83.173 flat angles C4'-P-C4' energy: -99.350 flat angles P-C4'-P energy: -70.803 tors. eta vs tors. theta energy: -135.813 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: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1409.785308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.785308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.785308 (E_RNA) where: Base-Base interactions energy: -973.673 where: short stacking energy: -395.072 Base-Backbone interact. energy: -1.574 local terms energy: -434.538145 where: bonds (distance) C4'-P energy: -86.101 bonds (distance) P-C4' energy: -94.760 flat angles C4'-P-C4' energy: -100.236 flat angles P-C4'-P energy: -61.413 tors. eta vs tors. theta energy: -92.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1222.954490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.954490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.954490 (E_RNA) where: Base-Base interactions energy: -827.549 where: short stacking energy: -361.223 Base-Backbone interact. energy: 1.012 local terms energy: -396.417236 where: bonds (distance) C4'-P energy: -67.142 bonds (distance) P-C4' energy: -93.260 flat angles C4'-P-C4' energy: -95.680 flat angles P-C4'-P energy: -58.679 tors. eta vs tors. theta energy: -81.656 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: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -803.307914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.307914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.307914 (E_RNA) where: Base-Base interactions energy: -459.553 where: short stacking energy: -202.947 Base-Backbone interact. energy: 3.567 local terms energy: -347.322124 where: bonds (distance) C4'-P energy: -97.658 bonds (distance) P-C4' energy: -112.358 flat angles C4'-P-C4' energy: -73.057 flat angles P-C4'-P energy: -51.738 tors. eta vs tors. theta energy: -12.512 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: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -496.189338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.189338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.189338 (E_RNA) where: Base-Base interactions energy: -196.414 where: short stacking energy: -131.951 Base-Backbone interact. energy: -1.018 local terms energy: -298.757218 where: bonds (distance) C4'-P energy: -95.365 bonds (distance) P-C4' energy: -101.528 flat angles C4'-P-C4' energy: -65.407 flat angles P-C4'-P energy: -46.204 tors. eta vs tors. theta energy: 9.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1942.609954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.609954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.609954 (E_RNA) where: Base-Base interactions energy: -1348.004 where: short stacking energy: -579.438 Base-Backbone interact. energy: -1.384 local terms energy: -593.221444 where: bonds (distance) C4'-P energy: -95.878 bonds (distance) P-C4' energy: -108.872 flat angles C4'-P-C4' energy: -127.967 flat angles P-C4'-P energy: -85.660 tors. eta vs tors. theta energy: -174.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1859.941215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.941215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.941215 (E_RNA) where: Base-Base interactions energy: -1285.351 where: short stacking energy: -565.721 Base-Backbone interact. energy: -0.473 local terms energy: -574.118021 where: bonds (distance) C4'-P energy: -92.000 bonds (distance) P-C4' energy: -111.578 flat angles C4'-P-C4' energy: -123.315 flat angles P-C4'-P energy: -88.449 tors. eta vs tors. theta energy: -158.776 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: 3, replica: 3 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1784.500719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.500719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.500719 (E_RNA) where: Base-Base interactions energy: -1212.165 where: short stacking energy: -528.968 Base-Backbone interact. energy: 5.160 local terms energy: -577.495632 where: bonds (distance) C4'-P energy: -96.419 bonds (distance) P-C4' energy: -111.693 flat angles C4'-P-C4' energy: -120.800 flat angles P-C4'-P energy: -94.582 tors. eta vs tors. theta energy: -154.002 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: 10 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1638.884667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.884667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.884667 (E_RNA) where: Base-Base interactions energy: -1131.068 where: short stacking energy: -475.799 Base-Backbone interact. energy: -1.483 local terms energy: -506.333496 where: bonds (distance) C4'-P energy: -93.109 bonds (distance) P-C4' energy: -108.643 flat angles C4'-P-C4' energy: -109.462 flat angles P-C4'-P energy: -69.560 tors. eta vs tors. theta energy: -125.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1575.508541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.508541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.508541 (E_RNA) where: Base-Base interactions energy: -1069.236 where: short stacking energy: -471.680 Base-Backbone interact. energy: -2.170 local terms energy: -504.102006 where: bonds (distance) C4'-P energy: -91.571 bonds (distance) P-C4' energy: -98.006 flat angles C4'-P-C4' energy: -104.706 flat angles P-C4'-P energy: -76.488 tors. eta vs tors. theta energy: -133.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1485.580377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.580377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.580377 (E_RNA) where: Base-Base interactions energy: -1020.343 where: short stacking energy: -440.695 Base-Backbone interact. energy: 1.685 local terms energy: -466.922702 where: bonds (distance) C4'-P energy: -86.734 bonds (distance) P-C4' energy: -94.506 flat angles C4'-P-C4' energy: -117.325 flat angles P-C4'-P energy: -60.516 tors. eta vs tors. theta energy: -107.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1420.421025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.421025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.421025 (E_RNA) where: Base-Base interactions energy: -978.056 where: short stacking energy: -397.458 Base-Backbone interact. energy: -1.330 local terms energy: -441.034283 where: bonds (distance) C4'-P energy: -87.114 bonds (distance) P-C4' energy: -85.161 flat angles C4'-P-C4' energy: -113.405 flat angles P-C4'-P energy: -65.540 tors. eta vs tors. theta energy: -89.814 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: 2 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1230.486221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.486221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.486221 (E_RNA) where: Base-Base interactions energy: -819.382 where: short stacking energy: -337.729 Base-Backbone interact. energy: -2.792 local terms energy: -408.312136 where: bonds (distance) C4'-P energy: -88.406 bonds (distance) P-C4' energy: -92.284 flat angles C4'-P-C4' energy: -90.277 flat angles P-C4'-P energy: -68.772 tors. eta vs tors. theta energy: -68.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -771.334862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.334862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.334862 (E_RNA) where: Base-Base interactions energy: -432.773 where: short stacking energy: -210.373 Base-Backbone interact. energy: 5.873 local terms energy: -344.435437 where: bonds (distance) C4'-P energy: -94.257 bonds (distance) P-C4' energy: -93.699 flat angles C4'-P-C4' energy: -79.416 flat angles P-C4'-P energy: -66.723 tors. eta vs tors. theta energy: -10.340 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: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -466.291187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.291187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.291187 (E_RNA) where: Base-Base interactions energy: -169.597 where: short stacking energy: -128.788 Base-Backbone interact. energy: 4.474 local terms energy: -301.168613 where: bonds (distance) C4'-P energy: -100.417 bonds (distance) P-C4' energy: -91.774 flat angles C4'-P-C4' energy: -79.462 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: 17.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1926.597811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.597811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.597811 (E_RNA) where: Base-Base interactions energy: -1322.640 where: short stacking energy: -575.344 Base-Backbone interact. energy: -2.000 local terms energy: -601.958225 where: bonds (distance) C4'-P energy: -108.993 bonds (distance) P-C4' energy: -103.878 flat angles C4'-P-C4' energy: -127.952 flat angles P-C4'-P energy: -89.629 tors. eta vs tors. theta energy: -171.507 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: 342 Temperature: 0.950000 Total energy: -1832.677063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.677063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.677063 (E_RNA) where: Base-Base interactions energy: -1262.936 where: short stacking energy: -534.191 Base-Backbone interact. energy: -4.142 local terms energy: -565.599072 where: bonds (distance) C4'-P energy: -110.286 bonds (distance) P-C4' energy: -90.936 flat angles C4'-P-C4' energy: -121.863 flat angles P-C4'-P energy: -85.814 tors. eta vs tors. theta energy: -156.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1790.238281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.238281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.238281 (E_RNA) where: Base-Base interactions energy: -1221.902 where: short stacking energy: -525.344 Base-Backbone interact. energy: -2.541 local terms energy: -565.795836 where: bonds (distance) C4'-P energy: -112.013 bonds (distance) P-C4' energy: -107.323 flat angles C4'-P-C4' energy: -122.288 flat angles P-C4'-P energy: -76.959 tors. eta vs tors. theta energy: -147.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1616.566824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.566824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.566824 (E_RNA) where: Base-Base interactions energy: -1108.886 where: short stacking energy: -479.342 Base-Backbone interact. energy: 0.509 local terms energy: -508.190151 where: bonds (distance) C4'-P energy: -98.101 bonds (distance) P-C4' energy: -99.482 flat angles C4'-P-C4' energy: -104.203 flat angles P-C4'-P energy: -73.687 tors. eta vs tors. theta energy: -132.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1564.506757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.506757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.506757 (E_RNA) where: Base-Base interactions energy: -1067.732 where: short stacking energy: -442.549 Base-Backbone interact. energy: -2.565 local terms energy: -494.210046 where: bonds (distance) C4'-P energy: -91.755 bonds (distance) P-C4' energy: -88.768 flat angles C4'-P-C4' energy: -112.508 flat angles P-C4'-P energy: -80.368 tors. eta vs tors. theta energy: -120.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1507.640042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.640042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.640042 (E_RNA) where: Base-Base interactions energy: -1010.763 where: short stacking energy: -454.382 Base-Backbone interact. energy: -2.858 local terms energy: -494.018489 where: bonds (distance) C4'-P energy: -112.175 bonds (distance) P-C4' energy: -91.071 flat angles C4'-P-C4' energy: -101.443 flat angles P-C4'-P energy: -71.617 tors. eta vs tors. theta energy: -117.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1424.795850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.795850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.795850 (E_RNA) where: Base-Base interactions energy: -947.509 where: short stacking energy: -408.797 Base-Backbone interact. energy: -3.238 local terms energy: -474.048385 where: bonds (distance) C4'-P energy: -93.305 bonds (distance) P-C4' energy: -85.497 flat angles C4'-P-C4' energy: -105.634 flat angles P-C4'-P energy: -73.832 tors. eta vs tors. theta energy: -115.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1235.847044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.847044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.847044 (E_RNA) where: Base-Base interactions energy: -832.694 where: short stacking energy: -349.035 Base-Backbone interact. energy: -0.462 local terms energy: -402.691834 where: bonds (distance) C4'-P energy: -75.262 bonds (distance) P-C4' energy: -95.670 flat angles C4'-P-C4' energy: -88.543 flat angles P-C4'-P energy: -61.311 tors. eta vs tors. theta energy: -81.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -783.413026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.413026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.413026 (E_RNA) where: Base-Base interactions energy: -443.486 where: short stacking energy: -228.400 Base-Backbone interact. energy: 6.965 local terms energy: -346.892045 where: bonds (distance) C4'-P energy: -91.369 bonds (distance) P-C4' energy: -102.420 flat angles C4'-P-C4' energy: -82.607 flat angles P-C4'-P energy: -52.096 tors. eta vs tors. theta energy: -18.400 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: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -437.153248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.153248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.153248 (E_RNA) where: Base-Base interactions energy: -150.413 where: short stacking energy: -122.325 Base-Backbone interact. energy: -0.298 local terms energy: -286.441599 where: bonds (distance) C4'-P energy: -92.649 bonds (distance) P-C4' energy: -99.758 flat angles C4'-P-C4' energy: -70.310 flat angles P-C4'-P energy: -39.232 tors. eta vs tors. theta energy: 15.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1928.400565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.400565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.400565 (E_RNA) where: Base-Base interactions energy: -1314.296 where: short stacking energy: -569.967 Base-Backbone interact. energy: -1.534 local terms energy: -612.571060 where: bonds (distance) C4'-P energy: -109.543 bonds (distance) P-C4' energy: -115.236 flat angles C4'-P-C4' energy: -122.947 flat angles P-C4'-P energy: -90.159 tors. eta vs tors. theta energy: -174.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1840.982357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.982357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.982357 (E_RNA) where: Base-Base interactions energy: -1293.652 where: short stacking energy: -558.611 Base-Backbone interact. energy: -2.339 local terms energy: -544.991633 where: bonds (distance) C4'-P energy: -90.742 bonds (distance) P-C4' energy: -100.257 flat angles C4'-P-C4' energy: -110.633 flat angles P-C4'-P energy: -84.650 tors. eta vs tors. theta energy: -158.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1747.911480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.911480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.911480 (E_RNA) where: Base-Base interactions energy: -1188.817 where: short stacking energy: -518.844 Base-Backbone interact. energy: -1.333 local terms energy: -557.761197 where: bonds (distance) C4'-P energy: -107.779 bonds (distance) P-C4' energy: -107.619 flat angles C4'-P-C4' energy: -117.362 flat angles P-C4'-P energy: -76.282 tors. eta vs tors. theta energy: -148.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1643.856882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.856882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.856882 (E_RNA) where: Base-Base interactions energy: -1123.650 where: short stacking energy: -458.697 Base-Backbone interact. energy: -4.524 local terms energy: -515.683264 where: bonds (distance) C4'-P energy: -100.625 bonds (distance) P-C4' energy: -90.843 flat angles C4'-P-C4' energy: -119.288 flat angles P-C4'-P energy: -75.273 tors. eta vs tors. theta energy: -129.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1596.826596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.826596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.826596 (E_RNA) where: Base-Base interactions energy: -1090.388 where: short stacking energy: -471.939 Base-Backbone interact. energy: -1.715 local terms energy: -504.723356 where: bonds (distance) C4'-P energy: -90.700 bonds (distance) P-C4' energy: -100.065 flat angles C4'-P-C4' energy: -114.540 flat angles P-C4'-P energy: -72.922 tors. eta vs tors. theta energy: -126.497 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: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1420.358876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.358876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.358876 (E_RNA) where: Base-Base interactions energy: -960.214 where: short stacking energy: -393.316 Base-Backbone interact. energy: 4.965 local terms energy: -465.110156 where: bonds (distance) C4'-P energy: -87.957 bonds (distance) P-C4' energy: -94.766 flat angles C4'-P-C4' energy: -99.165 flat angles P-C4'-P energy: -71.568 tors. eta vs tors. theta energy: -111.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1451.998599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.998599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.998599 (E_RNA) where: Base-Base interactions energy: -978.348 where: short stacking energy: -432.848 Base-Backbone interact. energy: -2.289 local terms energy: -471.361286 where: bonds (distance) C4'-P energy: -93.969 bonds (distance) P-C4' energy: -102.216 flat angles C4'-P-C4' energy: -101.612 flat angles P-C4'-P energy: -56.672 tors. eta vs tors. theta energy: -116.892 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: 8, replica: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1256.926448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.926448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.926448 (E_RNA) where: Base-Base interactions energy: -850.859 where: short stacking energy: -371.456 Base-Backbone interact. energy: -1.646 local terms energy: -404.421137 where: bonds (distance) C4'-P energy: -81.497 bonds (distance) P-C4' energy: -86.371 flat angles C4'-P-C4' energy: -89.082 flat angles P-C4'-P energy: -65.230 tors. eta vs tors. theta energy: -82.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -830.471127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.471127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.471127 (E_RNA) where: Base-Base interactions energy: -476.445 where: short stacking energy: -227.428 Base-Backbone interact. energy: -0.823 local terms energy: -353.203734 where: bonds (distance) C4'-P energy: -100.089 bonds (distance) P-C4' energy: -89.670 flat angles C4'-P-C4' energy: -88.022 flat angles P-C4'-P energy: -44.166 tors. eta vs tors. theta energy: -31.256 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: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -428.918767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.918767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.918767 (E_RNA) where: Base-Base interactions energy: -158.065 where: short stacking energy: -116.200 Base-Backbone interact. energy: -1.900 local terms energy: -268.953260 where: bonds (distance) C4'-P energy: -81.700 bonds (distance) P-C4' energy: -89.188 flat angles C4'-P-C4' energy: -70.425 flat angles P-C4'-P energy: -37.866 tors. eta vs tors. theta energy: 10.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1921.801702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.801702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.801702 (E_RNA) where: Base-Base interactions energy: -1342.108 where: short stacking energy: -582.990 Base-Backbone interact. energy: -1.067 local terms energy: -578.627374 where: bonds (distance) C4'-P energy: -97.899 bonds (distance) P-C4' energy: -115.150 flat angles C4'-P-C4' energy: -115.342 flat angles P-C4'-P energy: -87.981 tors. eta vs tors. theta energy: -162.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1847.913449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.913449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.913449 (E_RNA) where: Base-Base interactions energy: -1282.206 where: short stacking energy: -539.078 Base-Backbone interact. energy: -3.562 local terms energy: -562.145397 where: bonds (distance) C4'-P energy: -109.230 bonds (distance) P-C4' energy: -93.571 flat angles C4'-P-C4' energy: -123.875 flat angles P-C4'-P energy: -82.033 tors. eta vs tors. theta energy: -153.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1707.932383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.932383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.932383 (E_RNA) where: Base-Base interactions energy: -1148.795 where: short stacking energy: -487.264 Base-Backbone interact. energy: -2.368 local terms energy: -556.768729 where: bonds (distance) C4'-P energy: -103.477 bonds (distance) P-C4' energy: -98.363 flat angles C4'-P-C4' energy: -119.803 flat angles P-C4'-P energy: -85.039 tors. eta vs tors. theta energy: -150.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1625.317846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.317846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.317846 (E_RNA) where: Base-Base interactions energy: -1104.575 where: short stacking energy: -461.520 Base-Backbone interact. energy: -2.057 local terms energy: -518.686371 where: bonds (distance) C4'-P energy: -105.205 bonds (distance) P-C4' energy: -117.509 flat angles C4'-P-C4' energy: -100.761 flat angles P-C4'-P energy: -68.966 tors. eta vs tors. theta energy: -126.246 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: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1566.647952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.647952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.647952 (E_RNA) where: Base-Base interactions energy: -1079.805 where: short stacking energy: -476.171 Base-Backbone interact. energy: 3.300 local terms energy: -490.143134 where: bonds (distance) C4'-P energy: -94.021 bonds (distance) P-C4' energy: -92.983 flat angles C4'-P-C4' energy: -97.876 flat angles P-C4'-P energy: -76.736 tors. eta vs tors. theta energy: -128.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1430.947003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.947003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.947003 (E_RNA) where: Base-Base interactions energy: -956.449 where: short stacking energy: -417.888 Base-Backbone interact. energy: -1.034 local terms energy: -473.463393 where: bonds (distance) C4'-P energy: -83.157 bonds (distance) P-C4' energy: -99.349 flat angles C4'-P-C4' energy: -113.105 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: -104.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1329.476566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.476566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.476566 (E_RNA) where: Base-Base interactions energy: -883.472 where: short stacking energy: -382.762 Base-Backbone interact. energy: -1.576 local terms energy: -444.428049 where: bonds (distance) C4'-P energy: -95.956 bonds (distance) P-C4' energy: -96.741 flat angles C4'-P-C4' energy: -108.228 flat angles P-C4'-P energy: -58.416 tors. eta vs tors. theta energy: -85.088 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: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1381.670674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.670674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.670674 (E_RNA) where: Base-Base interactions energy: -955.555 where: short stacking energy: -410.046 Base-Backbone interact. energy: 2.715 local terms energy: -428.830417 where: bonds (distance) C4'-P energy: -80.482 bonds (distance) P-C4' energy: -99.013 flat angles C4'-P-C4' energy: -96.791 flat angles P-C4'-P energy: -47.094 tors. eta vs tors. theta energy: -105.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -792.828752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.828752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.828752 (E_RNA) where: Base-Base interactions energy: -451.478 where: short stacking energy: -214.639 Base-Backbone interact. energy: 4.445 local terms energy: -345.795707 where: bonds (distance) C4'-P energy: -97.454 bonds (distance) P-C4' energy: -89.145 flat angles C4'-P-C4' energy: -88.962 flat angles P-C4'-P energy: -41.756 tors. eta vs tors. theta energy: -28.478 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: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -434.974792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.974792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.974792 (E_RNA) where: Base-Base interactions energy: -152.591 where: short stacking energy: -126.573 Base-Backbone interact. energy: -2.057 local terms energy: -280.327437 where: bonds (distance) C4'-P energy: -87.648 bonds (distance) P-C4' energy: -81.310 flat angles C4'-P-C4' energy: -68.931 flat angles P-C4'-P energy: -52.679 tors. eta vs tors. theta energy: 10.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1921.168345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.168345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.168345 (E_RNA) where: Base-Base interactions energy: -1316.492 where: short stacking energy: -564.318 Base-Backbone interact. energy: 3.283 local terms energy: -607.959734 where: bonds (distance) C4'-P energy: -113.214 bonds (distance) P-C4' energy: -106.566 flat angles C4'-P-C4' energy: -127.889 flat angles P-C4'-P energy: -83.319 tors. eta vs tors. theta energy: -176.971 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: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1845.921228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.921228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.921228 (E_RNA) where: Base-Base interactions energy: -1281.228 where: short stacking energy: -522.917 Base-Backbone interact. energy: -3.789 local terms energy: -560.903720 where: bonds (distance) C4'-P energy: -110.679 bonds (distance) P-C4' energy: -110.078 flat angles C4'-P-C4' energy: -112.427 flat angles P-C4'-P energy: -79.212 tors. eta vs tors. theta energy: -148.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1721.725272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.725272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.725272 (E_RNA) where: Base-Base interactions energy: -1186.428 where: short stacking energy: -493.369 Base-Backbone interact. energy: -3.077 local terms energy: -532.220024 where: bonds (distance) C4'-P energy: -100.332 bonds (distance) P-C4' energy: -102.773 flat angles C4'-P-C4' energy: -110.821 flat angles P-C4'-P energy: -73.835 tors. eta vs tors. theta energy: -144.458 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: 10 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1612.195209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.195209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.195209 (E_RNA) where: Base-Base interactions energy: -1095.886 where: short stacking energy: -446.160 Base-Backbone interact. energy: 0.706 local terms energy: -517.015087 where: bonds (distance) C4'-P energy: -100.525 bonds (distance) P-C4' energy: -104.686 flat angles C4'-P-C4' energy: -116.858 flat angles P-C4'-P energy: -72.037 tors. eta vs tors. theta energy: -122.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1573.659976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.659976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.659976 (E_RNA) where: Base-Base interactions energy: -1089.007 where: short stacking energy: -460.397 Base-Backbone interact. energy: 1.779 local terms energy: -486.432000 where: bonds (distance) C4'-P energy: -92.373 bonds (distance) P-C4' energy: -95.965 flat angles C4'-P-C4' energy: -112.438 flat angles P-C4'-P energy: -62.671 tors. eta vs tors. theta energy: -122.984 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: 6, replica: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1411.080530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.080530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.080530 (E_RNA) where: Base-Base interactions energy: -968.219 where: short stacking energy: -406.783 Base-Backbone interact. energy: -0.712 local terms energy: -442.149461 where: bonds (distance) C4'-P energy: -95.648 bonds (distance) P-C4' energy: -79.392 flat angles C4'-P-C4' energy: -102.001 flat angles P-C4'-P energy: -60.758 tors. eta vs tors. theta energy: -104.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1347.432780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.432780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.432780 (E_RNA) where: Base-Base interactions energy: -881.580 where: short stacking energy: -401.399 Base-Backbone interact. energy: 0.700 local terms energy: -466.552922 where: bonds (distance) C4'-P energy: -85.078 bonds (distance) P-C4' energy: -79.326 flat angles C4'-P-C4' energy: -115.040 flat angles P-C4'-P energy: -76.648 tors. eta vs tors. theta energy: -110.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1443.824443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.824443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.824443 (E_RNA) where: Base-Base interactions energy: -967.476 where: short stacking energy: -425.120 Base-Backbone interact. energy: -2.063 local terms energy: -474.285909 where: bonds (distance) C4'-P energy: -102.509 bonds (distance) P-C4' energy: -85.057 flat angles C4'-P-C4' energy: -98.348 flat angles P-C4'-P energy: -72.649 tors. eta vs tors. theta energy: -115.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -802.360441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.360441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.360441 (E_RNA) where: Base-Base interactions energy: -436.699 where: short stacking energy: -206.277 Base-Backbone interact. energy: 0.247 local terms energy: -365.908808 where: bonds (distance) C4'-P energy: -79.359 bonds (distance) P-C4' energy: -98.105 flat angles C4'-P-C4' energy: -88.857 flat angles P-C4'-P energy: -65.109 tors. eta vs tors. theta energy: -34.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -413.477265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.477265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.477265 (E_RNA) where: Base-Base interactions energy: -143.629 where: short stacking energy: -109.923 Base-Backbone interact. energy: 5.750 local terms energy: -275.598473 where: bonds (distance) C4'-P energy: -87.347 bonds (distance) P-C4' energy: -94.824 flat angles C4'-P-C4' energy: -72.973 flat angles P-C4'-P energy: -36.543 tors. eta vs tors. theta energy: 16.088 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: 1, replica: 7 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1914.711884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.711884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.711884 (E_RNA) where: Base-Base interactions energy: -1336.679 where: short stacking energy: -590.831 Base-Backbone interact. energy: -1.962 local terms energy: -576.070879 where: bonds (distance) C4'-P energy: -91.187 bonds (distance) P-C4' energy: -105.827 flat angles C4'-P-C4' energy: -129.406 flat angles P-C4'-P energy: -75.660 tors. eta vs tors. theta energy: -173.991 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: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1848.429373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.429373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.429373 (E_RNA) where: Base-Base interactions energy: -1263.414 where: short stacking energy: -535.636 Base-Backbone interact. energy: -2.843 local terms energy: -582.173278 where: bonds (distance) C4'-P energy: -111.057 bonds (distance) P-C4' energy: -105.686 flat angles C4'-P-C4' energy: -125.117 flat angles P-C4'-P energy: -80.318 tors. eta vs tors. theta energy: -159.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1716.392780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.392780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.392780 (E_RNA) where: Base-Base interactions energy: -1185.794 where: short stacking energy: -520.049 Base-Backbone interact. energy: -2.470 local terms energy: -528.128408 where: bonds (distance) C4'-P energy: -90.985 bonds (distance) P-C4' energy: -101.631 flat angles C4'-P-C4' energy: -113.046 flat angles P-C4'-P energy: -70.770 tors. eta vs tors. theta energy: -151.698 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: 10 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1610.420645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.420645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.420645 (E_RNA) where: Base-Base interactions energy: -1097.431 where: short stacking energy: -473.006 Base-Backbone interact. energy: -2.510 local terms energy: -510.479847 where: bonds (distance) C4'-P energy: -96.684 bonds (distance) P-C4' energy: -103.195 flat angles C4'-P-C4' energy: -105.071 flat angles P-C4'-P energy: -71.893 tors. eta vs tors. theta energy: -133.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1607.649806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.649806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.649806 (E_RNA) where: Base-Base interactions energy: -1078.268 where: short stacking energy: -489.187 Base-Backbone interact. energy: -1.144 local terms energy: -528.237500 where: bonds (distance) C4'-P energy: -101.841 bonds (distance) P-C4' energy: -110.307 flat angles C4'-P-C4' energy: -108.327 flat angles P-C4'-P energy: -70.828 tors. eta vs tors. theta energy: -136.935 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: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1469.883597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.883597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.883597 (E_RNA) where: Base-Base interactions energy: -987.630 where: short stacking energy: -444.753 Base-Backbone interact. energy: -1.493 local terms energy: -480.760491 where: bonds (distance) C4'-P energy: -93.065 bonds (distance) P-C4' energy: -97.117 flat angles C4'-P-C4' energy: -108.181 flat angles P-C4'-P energy: -69.756 tors. eta vs tors. theta energy: -112.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1402.121118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.121118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.121118 (E_RNA) where: Base-Base interactions energy: -961.323 where: short stacking energy: -404.346 Base-Backbone interact. energy: 3.944 local terms energy: -444.742471 where: bonds (distance) C4'-P energy: -80.975 bonds (distance) P-C4' energy: -93.936 flat angles C4'-P-C4' energy: -99.586 flat angles P-C4'-P energy: -63.111 tors. eta vs tors. theta energy: -107.135 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: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1317.683412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.683412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.683412 (E_RNA) where: Base-Base interactions energy: -874.409 where: short stacking energy: -370.673 Base-Backbone interact. energy: -1.554 local terms energy: -441.720421 where: bonds (distance) C4'-P energy: -106.656 bonds (distance) P-C4' energy: -81.007 flat angles C4'-P-C4' energy: -104.660 flat angles P-C4'-P energy: -51.141 tors. eta vs tors. theta energy: -98.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -766.036072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.036072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.036072 (E_RNA) where: Base-Base interactions energy: -438.040 where: short stacking energy: -209.038 Base-Backbone interact. energy: -0.810 local terms energy: -327.186085 where: bonds (distance) C4'-P energy: -88.402 bonds (distance) P-C4' energy: -88.432 flat angles C4'-P-C4' energy: -79.613 flat angles P-C4'-P energy: -50.050 tors. eta vs tors. theta energy: -20.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -431.237033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.237033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.237033 (E_RNA) where: Base-Base interactions energy: -160.126 where: short stacking energy: -133.508 Base-Backbone interact. energy: -1.209 local terms energy: -269.902017 where: bonds (distance) C4'-P energy: -85.007 bonds (distance) P-C4' energy: -90.967 flat angles C4'-P-C4' energy: -66.117 flat angles P-C4'-P energy: -41.713 tors. eta vs tors. theta energy: 13.902 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: 7 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1908.857562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.857562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.857562 (E_RNA) where: Base-Base interactions energy: -1321.107 where: short stacking energy: -561.670 Base-Backbone interact. energy: -3.684 local terms energy: -584.066668 where: bonds (distance) C4'-P energy: -116.205 bonds (distance) P-C4' energy: -93.695 flat angles C4'-P-C4' energy: -117.564 flat angles P-C4'-P energy: -86.630 tors. eta vs tors. theta energy: -169.973 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: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1842.799556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.799556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.799556 (E_RNA) where: Base-Base interactions energy: -1247.255 where: short stacking energy: -524.128 Base-Backbone interact. energy: -1.503 local terms energy: -594.041492 where: bonds (distance) C4'-P energy: -108.829 bonds (distance) P-C4' energy: -109.884 flat angles C4'-P-C4' energy: -125.432 flat angles P-C4'-P energy: -83.504 tors. eta vs tors. theta energy: -166.392 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: 3 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1727.261194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.261194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.261194 (E_RNA) where: Base-Base interactions energy: -1176.923 where: short stacking energy: -507.704 Base-Backbone interact. energy: -0.704 local terms energy: -549.634415 where: bonds (distance) C4'-P energy: -107.930 bonds (distance) P-C4' energy: -98.751 flat angles C4'-P-C4' energy: -119.586 flat angles P-C4'-P energy: -70.505 tors. eta vs tors. theta energy: -152.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1617.509070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.509070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.509070 (E_RNA) where: Base-Base interactions energy: -1106.880 where: short stacking energy: -467.106 Base-Backbone interact. energy: 0.261 local terms energy: -510.890084 where: bonds (distance) C4'-P energy: -107.156 bonds (distance) P-C4' energy: -97.909 flat angles C4'-P-C4' energy: -100.923 flat angles P-C4'-P energy: -83.104 tors. eta vs tors. theta energy: -121.798 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: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1561.992422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.992422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.992422 (E_RNA) where: Base-Base interactions energy: -1054.062 where: short stacking energy: -454.477 Base-Backbone interact. energy: -1.571 local terms energy: -506.358593 where: bonds (distance) C4'-P energy: -104.522 bonds (distance) P-C4' energy: -86.949 flat angles C4'-P-C4' energy: -109.976 flat angles P-C4'-P energy: -80.314 tors. eta vs tors. theta energy: -124.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1469.085744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.085744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.085744 (E_RNA) where: Base-Base interactions energy: -1015.102 where: short stacking energy: -408.834 Base-Backbone interact. energy: -1.018 local terms energy: -452.965903 where: bonds (distance) C4'-P energy: -81.716 bonds (distance) P-C4' energy: -100.104 flat angles C4'-P-C4' energy: -99.950 flat angles P-C4'-P energy: -65.350 tors. eta vs tors. theta energy: -105.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1443.793661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.793661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.793661 (E_RNA) where: Base-Base interactions energy: -1000.108 where: short stacking energy: -407.787 Base-Backbone interact. energy: -2.171 local terms energy: -441.515055 where: bonds (distance) C4'-P energy: -89.674 bonds (distance) P-C4' energy: -87.963 flat angles C4'-P-C4' energy: -111.870 flat angles P-C4'-P energy: -53.505 tors. eta vs tors. theta energy: -98.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1277.212172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.212172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.212172 (E_RNA) where: Base-Base interactions energy: -856.829 where: short stacking energy: -356.205 Base-Backbone interact. energy: -0.331 local terms energy: -420.051444 where: bonds (distance) C4'-P energy: -85.171 bonds (distance) P-C4' energy: -105.332 flat angles C4'-P-C4' energy: -92.121 flat angles P-C4'-P energy: -59.283 tors. eta vs tors. theta energy: -78.144 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: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -786.283238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.283238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.283238 (E_RNA) where: Base-Base interactions energy: -438.249 where: short stacking energy: -233.462 Base-Backbone interact. energy: -2.189 local terms energy: -345.845035 where: bonds (distance) C4'-P energy: -81.536 bonds (distance) P-C4' energy: -86.314 flat angles C4'-P-C4' energy: -93.533 flat angles P-C4'-P energy: -56.037 tors. eta vs tors. theta energy: -28.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -475.637876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.637876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.637876 (E_RNA) where: Base-Base interactions energy: -144.202 where: short stacking energy: -114.969 Base-Backbone interact. energy: 4.764 local terms energy: -336.199378 where: bonds (distance) C4'-P energy: -107.321 bonds (distance) P-C4' energy: -98.596 flat angles C4'-P-C4' energy: -79.648 flat angles P-C4'-P energy: -44.457 tors. eta vs tors. theta energy: -6.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1923.890374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.890374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.890374 (E_RNA) where: Base-Base interactions energy: -1343.808 where: short stacking energy: -593.149 Base-Backbone interact. energy: 1.057 local terms energy: -581.139286 where: bonds (distance) C4'-P energy: -102.365 bonds (distance) P-C4' energy: -98.506 flat angles C4'-P-C4' energy: -123.288 flat angles P-C4'-P energy: -79.288 tors. eta vs tors. theta energy: -177.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1848.718713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.718713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.718713 (E_RNA) where: Base-Base interactions energy: -1256.685 where: short stacking energy: -548.382 Base-Backbone interact. energy: -0.535 local terms energy: -591.498558 where: bonds (distance) C4'-P energy: -103.864 bonds (distance) P-C4' energy: -110.098 flat angles C4'-P-C4' energy: -131.647 flat angles P-C4'-P energy: -81.512 tors. eta vs tors. theta energy: -164.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1743.259259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.259259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.259259 (E_RNA) where: Base-Base interactions energy: -1221.693 where: short stacking energy: -525.091 Base-Backbone interact. energy: 3.091 local terms energy: -524.657333 where: bonds (distance) C4'-P energy: -100.478 bonds (distance) P-C4' energy: -103.878 flat angles C4'-P-C4' energy: -114.038 flat angles P-C4'-P energy: -60.755 tors. eta vs tors. theta energy: -145.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1608.081743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.081743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.081743 (E_RNA) where: Base-Base interactions energy: -1087.796 where: short stacking energy: -469.391 Base-Backbone interact. energy: -2.096 local terms energy: -518.190487 where: bonds (distance) C4'-P energy: -97.453 bonds (distance) P-C4' energy: -108.755 flat angles C4'-P-C4' energy: -113.181 flat angles P-C4'-P energy: -79.536 tors. eta vs tors. theta energy: -119.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1602.949126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.949126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.949126 (E_RNA) where: Base-Base interactions energy: -1095.602 where: short stacking energy: -479.695 Base-Backbone interact. energy: -0.565 local terms energy: -506.782525 where: bonds (distance) C4'-P energy: -104.167 bonds (distance) P-C4' energy: -90.917 flat angles C4'-P-C4' energy: -112.066 flat angles P-C4'-P energy: -74.381 tors. eta vs tors. theta energy: -125.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1523.481492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.481492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.481492 (E_RNA) where: Base-Base interactions energy: -1057.794 where: short stacking energy: -434.887 Base-Backbone interact. energy: -1.364 local terms energy: -464.323249 where: bonds (distance) C4'-P energy: -87.992 bonds (distance) P-C4' energy: -98.825 flat angles C4'-P-C4' energy: -97.008 flat angles P-C4'-P energy: -69.119 tors. eta vs tors. theta energy: -111.379 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: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1454.501166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.501166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.501166 (E_RNA) where: Base-Base interactions energy: -975.871 where: short stacking energy: -405.401 Base-Backbone interact. energy: -1.864 local terms energy: -476.766421 where: bonds (distance) C4'-P energy: -103.504 bonds (distance) P-C4' energy: -95.351 flat angles C4'-P-C4' energy: -105.280 flat angles P-C4'-P energy: -74.949 tors. eta vs tors. theta energy: -97.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1304.395672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.395672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.395672 (E_RNA) where: Base-Base interactions energy: -860.752 where: short stacking energy: -377.153 Base-Backbone interact. energy: -1.112 local terms energy: -442.531821 where: bonds (distance) C4'-P energy: -92.258 bonds (distance) P-C4' energy: -98.584 flat angles C4'-P-C4' energy: -101.938 flat angles P-C4'-P energy: -54.840 tors. eta vs tors. theta energy: -94.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -807.940814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.940814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.940814 (E_RNA) where: Base-Base interactions energy: -460.515 where: short stacking energy: -257.172 Base-Backbone interact. energy: 1.980 local terms energy: -349.405789 where: bonds (distance) C4'-P energy: -100.081 bonds (distance) P-C4' energy: -92.608 flat angles C4'-P-C4' energy: -93.511 flat angles P-C4'-P energy: -24.135 tors. eta vs tors. theta energy: -39.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -410.587203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.587203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.587203 (E_RNA) where: Base-Base interactions energy: -143.302 where: short stacking energy: -112.649 Base-Backbone interact. energy: 1.754 local terms energy: -269.038806 where: bonds (distance) C4'-P energy: -88.786 bonds (distance) P-C4' energy: -87.067 flat angles C4'-P-C4' energy: -74.783 flat angles P-C4'-P energy: -43.145 tors. eta vs tors. theta energy: 24.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1932.990047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.990047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.990047 (E_RNA) where: Base-Base interactions energy: -1341.509 where: short stacking energy: -576.305 Base-Backbone interact. energy: -2.299 local terms energy: -589.182786 where: bonds (distance) C4'-P energy: -105.027 bonds (distance) P-C4' energy: -114.793 flat angles C4'-P-C4' energy: -124.867 flat angles P-C4'-P energy: -74.531 tors. eta vs tors. theta energy: -169.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1851.327115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.327115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.327115 (E_RNA) where: Base-Base interactions energy: -1260.552 where: short stacking energy: -538.659 Base-Backbone interact. energy: -1.114 local terms energy: -589.660870 where: bonds (distance) C4'-P energy: -96.355 bonds (distance) P-C4' energy: -119.318 flat angles C4'-P-C4' energy: -126.142 flat angles P-C4'-P energy: -81.156 tors. eta vs tors. theta energy: -166.689 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: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1750.393841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.393841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.393841 (E_RNA) where: Base-Base interactions energy: -1219.891 where: short stacking energy: -518.817 Base-Backbone interact. energy: -0.670 local terms energy: -529.832787 where: bonds (distance) C4'-P energy: -88.668 bonds (distance) P-C4' energy: -99.607 flat angles C4'-P-C4' energy: -116.405 flat angles P-C4'-P energy: -76.910 tors. eta vs tors. theta energy: -148.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1679.743079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.743079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.743079 (E_RNA) where: Base-Base interactions energy: -1167.926 where: short stacking energy: -482.440 Base-Backbone interact. energy: -4.288 local terms energy: -507.529372 where: bonds (distance) C4'-P energy: -94.937 bonds (distance) P-C4' energy: -104.832 flat angles C4'-P-C4' energy: -111.011 flat angles P-C4'-P energy: -64.796 tors. eta vs tors. theta energy: -131.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1561.612306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.612306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.612306 (E_RNA) where: Base-Base interactions energy: -1068.579 where: short stacking energy: -463.627 Base-Backbone interact. energy: -3.226 local terms energy: -489.807018 where: bonds (distance) C4'-P energy: -93.763 bonds (distance) P-C4' energy: -89.745 flat angles C4'-P-C4' energy: -112.066 flat angles P-C4'-P energy: -72.294 tors. eta vs tors. theta energy: -121.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1530.506304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.506304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.506304 (E_RNA) where: Base-Base interactions energy: -1032.754 where: short stacking energy: -444.358 Base-Backbone interact. energy: -2.892 local terms energy: -494.861096 where: bonds (distance) C4'-P energy: -88.799 bonds (distance) P-C4' energy: -95.824 flat angles C4'-P-C4' energy: -95.029 flat angles P-C4'-P energy: -85.144 tors. eta vs tors. theta energy: -130.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1440.550047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.550047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.550047 (E_RNA) where: Base-Base interactions energy: -1020.073 where: short stacking energy: -423.349 Base-Backbone interact. energy: 0.665 local terms energy: -421.142186 where: bonds (distance) C4'-P energy: -80.864 bonds (distance) P-C4' energy: -87.409 flat angles C4'-P-C4' energy: -97.449 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: -102.867 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: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1296.502976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.502976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.502976 (E_RNA) where: Base-Base interactions energy: -881.855 where: short stacking energy: -368.711 Base-Backbone interact. energy: -0.977 local terms energy: -413.670689 where: bonds (distance) C4'-P energy: -88.088 bonds (distance) P-C4' energy: -80.427 flat angles C4'-P-C4' energy: -109.245 flat angles P-C4'-P energy: -42.924 tors. eta vs tors. theta energy: -92.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -754.307713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.307713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.307713 (E_RNA) where: Base-Base interactions energy: -425.957 where: short stacking energy: -226.117 Base-Backbone interact. energy: -1.419 local terms energy: -326.931073 where: bonds (distance) C4'-P energy: -66.129 bonds (distance) P-C4' energy: -95.965 flat angles C4'-P-C4' energy: -88.804 flat angles P-C4'-P energy: -49.965 tors. eta vs tors. theta energy: -26.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -427.585613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.585613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.585613 (E_RNA) where: Base-Base interactions energy: -135.775 where: short stacking energy: -119.066 Base-Backbone interact. energy: -0.010 local terms energy: -291.800971 where: bonds (distance) C4'-P energy: -82.950 bonds (distance) P-C4' energy: -108.419 flat angles C4'-P-C4' energy: -70.781 flat angles P-C4'-P energy: -46.411 tors. eta vs tors. theta energy: 16.760 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: 7 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1946.661209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.661209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.661209 (E_RNA) where: Base-Base interactions energy: -1356.299 where: short stacking energy: -596.079 Base-Backbone interact. energy: -0.391 local terms energy: -589.971820 where: bonds (distance) C4'-P energy: -102.791 bonds (distance) P-C4' energy: -110.879 flat angles C4'-P-C4' energy: -125.005 flat angles P-C4'-P energy: -78.887 tors. eta vs tors. theta energy: -172.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1830.599768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.599768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.599768 (E_RNA) where: Base-Base interactions energy: -1256.463 where: short stacking energy: -523.532 Base-Backbone interact. energy: -1.267 local terms energy: -572.869896 where: bonds (distance) C4'-P energy: -116.592 bonds (distance) P-C4' energy: -111.017 flat angles C4'-P-C4' energy: -117.390 flat angles P-C4'-P energy: -76.008 tors. eta vs tors. theta energy: -151.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1777.792103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.792103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.792103 (E_RNA) where: Base-Base interactions energy: -1231.568 where: short stacking energy: -533.432 Base-Backbone interact. energy: -3.583 local terms energy: -542.641768 where: bonds (distance) C4'-P energy: -97.316 bonds (distance) P-C4' energy: -94.578 flat angles C4'-P-C4' energy: -121.738 flat angles P-C4'-P energy: -81.734 tors. eta vs tors. theta energy: -147.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1646.736503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.736503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.736503 (E_RNA) where: Base-Base interactions energy: -1105.803 where: short stacking energy: -487.851 Base-Backbone interact. energy: -2.452 local terms energy: -538.481520 where: bonds (distance) C4'-P energy: -110.692 bonds (distance) P-C4' energy: -111.231 flat angles C4'-P-C4' energy: -118.621 flat angles P-C4'-P energy: -67.441 tors. eta vs tors. theta energy: -130.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1587.530453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.530453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.530453 (E_RNA) where: Base-Base interactions energy: -1090.520 where: short stacking energy: -473.966 Base-Backbone interact. energy: -0.948 local terms energy: -496.062039 where: bonds (distance) C4'-P energy: -93.243 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -113.256 flat angles P-C4'-P energy: -72.808 tors. eta vs tors. theta energy: -126.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1518.199571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.199571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.199571 (E_RNA) where: Base-Base interactions energy: -1034.302 where: short stacking energy: -441.958 Base-Backbone interact. energy: 1.825 local terms energy: -485.721817 where: bonds (distance) C4'-P energy: -96.394 bonds (distance) P-C4' energy: -84.449 flat angles C4'-P-C4' energy: -104.882 flat angles P-C4'-P energy: -70.108 tors. eta vs tors. theta energy: -129.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1381.112343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.112343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.112343 (E_RNA) where: Base-Base interactions energy: -935.975 where: short stacking energy: -402.444 Base-Backbone interact. energy: -2.138 local terms energy: -442.999341 where: bonds (distance) C4'-P energy: -82.268 bonds (distance) P-C4' energy: -107.171 flat angles C4'-P-C4' energy: -104.141 flat angles P-C4'-P energy: -58.133 tors. eta vs tors. theta energy: -91.287 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: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1309.997454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.997454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.997454 (E_RNA) where: Base-Base interactions energy: -871.618 where: short stacking energy: -375.778 Base-Backbone interact. energy: -0.187 local terms energy: -438.192085 where: bonds (distance) C4'-P energy: -100.459 bonds (distance) P-C4' energy: -91.163 flat angles C4'-P-C4' energy: -102.107 flat angles P-C4'-P energy: -52.698 tors. eta vs tors. theta energy: -91.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -761.596222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.596222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.596222 (E_RNA) where: Base-Base interactions energy: -458.661 where: short stacking energy: -210.028 Base-Backbone interact. energy: -3.562 local terms energy: -299.373177 where: bonds (distance) C4'-P energy: -64.601 bonds (distance) P-C4' energy: -77.731 flat angles C4'-P-C4' energy: -89.166 flat angles P-C4'-P energy: -54.541 tors. eta vs tors. theta energy: -13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -422.867368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.867368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.867368 (E_RNA) where: Base-Base interactions energy: -151.329 where: short stacking energy: -123.388 Base-Backbone interact. energy: 1.668 local terms energy: -273.206495 where: bonds (distance) C4'-P energy: -82.009 bonds (distance) P-C4' energy: -87.984 flat angles C4'-P-C4' energy: -69.830 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: 11.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1921.354656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.354656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.354656 (E_RNA) where: Base-Base interactions energy: -1306.438 where: short stacking energy: -578.499 Base-Backbone interact. energy: -2.448 local terms energy: -612.468958 where: bonds (distance) C4'-P energy: -104.243 bonds (distance) P-C4' energy: -106.367 flat angles C4'-P-C4' energy: -127.435 flat angles P-C4'-P energy: -95.595 tors. eta vs tors. theta energy: -178.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1854.693324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.693324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.693324 (E_RNA) where: Base-Base interactions energy: -1276.687 where: short stacking energy: -559.215 Base-Backbone interact. energy: -2.669 local terms energy: -575.336909 where: bonds (distance) C4'-P energy: -96.627 bonds (distance) P-C4' energy: -96.157 flat angles C4'-P-C4' energy: -122.332 flat angles P-C4'-P energy: -94.067 tors. eta vs tors. theta energy: -166.154 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: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1766.383028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.383028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.383028 (E_RNA) where: Base-Base interactions energy: -1214.627 where: short stacking energy: -543.675 Base-Backbone interact. energy: -2.510 local terms energy: -549.245935 where: bonds (distance) C4'-P energy: -87.559 bonds (distance) P-C4' energy: -109.027 flat angles C4'-P-C4' energy: -117.538 flat angles P-C4'-P energy: -78.560 tors. eta vs tors. theta energy: -156.562 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: 4, replica: 10 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1658.752647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.752647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.752647 (E_RNA) where: Base-Base interactions energy: -1146.008 where: short stacking energy: -475.808 Base-Backbone interact. energy: -1.215 local terms energy: -511.529879 where: bonds (distance) C4'-P energy: -102.584 bonds (distance) P-C4' energy: -89.973 flat angles C4'-P-C4' energy: -118.174 flat angles P-C4'-P energy: -68.670 tors. eta vs tors. theta energy: -132.129 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: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1580.174545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.174545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.174545 (E_RNA) where: Base-Base interactions energy: -1064.192 where: short stacking energy: -459.371 Base-Backbone interact. energy: -0.657 local terms energy: -515.325774 where: bonds (distance) C4'-P energy: -106.394 bonds (distance) P-C4' energy: -105.535 flat angles C4'-P-C4' energy: -98.136 flat angles P-C4'-P energy: -78.484 tors. eta vs tors. theta energy: -126.776 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: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1535.132331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.132331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.132331 (E_RNA) where: Base-Base interactions energy: -1050.983 where: short stacking energy: -457.234 Base-Backbone interact. energy: 0.176 local terms energy: -484.325382 where: bonds (distance) C4'-P energy: -87.563 bonds (distance) P-C4' energy: -99.893 flat angles C4'-P-C4' energy: -104.214 flat angles P-C4'-P energy: -69.323 tors. eta vs tors. theta energy: -123.332 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: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1395.037936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.037936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.037936 (E_RNA) where: Base-Base interactions energy: -930.368 where: short stacking energy: -403.513 Base-Backbone interact. energy: -0.986 local terms energy: -463.684262 where: bonds (distance) C4'-P energy: -102.075 bonds (distance) P-C4' energy: -103.133 flat angles C4'-P-C4' energy: -93.679 flat angles P-C4'-P energy: -63.747 tors. eta vs tors. theta energy: -101.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1315.684739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.684739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.684739 (E_RNA) where: Base-Base interactions energy: -872.915 where: short stacking energy: -378.185 Base-Backbone interact. energy: -1.679 local terms energy: -441.091296 where: bonds (distance) C4'-P energy: -99.478 bonds (distance) P-C4' energy: -95.143 flat angles C4'-P-C4' energy: -90.261 flat angles P-C4'-P energy: -66.984 tors. eta vs tors. theta energy: -89.225 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: 351 Temperature: 1.300000 Total energy: -777.982672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.982672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.982672 (E_RNA) where: Base-Base interactions energy: -439.341 where: short stacking energy: -208.541 Base-Backbone interact. energy: -0.030 local terms energy: -338.611978 where: bonds (distance) C4'-P energy: -77.968 bonds (distance) P-C4' energy: -91.984 flat angles C4'-P-C4' energy: -84.844 flat angles P-C4'-P energy: -58.303 tors. eta vs tors. theta energy: -25.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -449.253167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.253167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.253167 (E_RNA) where: Base-Base interactions energy: -156.353 where: short stacking energy: -135.340 Base-Backbone interact. energy: 0.416 local terms energy: -293.316180 where: bonds (distance) C4'-P energy: -93.809 bonds (distance) P-C4' energy: -96.715 flat angles C4'-P-C4' energy: -84.615 flat angles P-C4'-P energy: -38.369 tors. eta vs tors. theta energy: 20.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1948.877628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.877628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.877628 (E_RNA) where: Base-Base interactions energy: -1319.011 where: short stacking energy: -590.621 Base-Backbone interact. energy: -3.459 local terms energy: -626.407731 where: bonds (distance) C4'-P energy: -109.631 bonds (distance) P-C4' energy: -114.447 flat angles C4'-P-C4' energy: -131.058 flat angles P-C4'-P energy: -92.485 tors. eta vs tors. theta energy: -178.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1856.123203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.123203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.123203 (E_RNA) where: Base-Base interactions energy: -1279.764 where: short stacking energy: -553.195 Base-Backbone interact. energy: -0.955 local terms energy: -575.403784 where: bonds (distance) C4'-P energy: -102.334 bonds (distance) P-C4' energy: -110.159 flat angles C4'-P-C4' energy: -123.172 flat angles P-C4'-P energy: -76.593 tors. eta vs tors. theta energy: -163.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1733.444167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.444167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.444167 (E_RNA) where: Base-Base interactions energy: -1187.944 where: short stacking energy: -530.710 Base-Backbone interact. energy: -1.997 local terms energy: -543.503658 where: bonds (distance) C4'-P energy: -99.862 bonds (distance) P-C4' energy: -110.456 flat angles C4'-P-C4' energy: -108.263 flat angles P-C4'-P energy: -75.710 tors. eta vs tors. theta energy: -149.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1644.237958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.237958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.237958 (E_RNA) where: Base-Base interactions energy: -1130.066 where: short stacking energy: -490.587 Base-Backbone interact. energy: -5.205 local terms energy: -508.967310 where: bonds (distance) C4'-P energy: -88.898 bonds (distance) P-C4' energy: -95.945 flat angles C4'-P-C4' energy: -115.339 flat angles P-C4'-P energy: -82.968 tors. eta vs tors. theta energy: -125.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1588.173149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.173149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.173149 (E_RNA) where: Base-Base interactions energy: -1079.320 where: short stacking energy: -468.489 Base-Backbone interact. energy: -0.401 local terms energy: -508.451879 where: bonds (distance) C4'-P energy: -88.870 bonds (distance) P-C4' energy: -113.606 flat angles C4'-P-C4' energy: -107.351 flat angles P-C4'-P energy: -72.939 tors. eta vs tors. theta energy: -125.685 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: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1532.364058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.364058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.364058 (E_RNA) where: Base-Base interactions energy: -1055.688 where: short stacking energy: -463.423 Base-Backbone interact. energy: -0.137 local terms energy: -476.539915 where: bonds (distance) C4'-P energy: -79.984 bonds (distance) P-C4' energy: -90.532 flat angles C4'-P-C4' energy: -100.275 flat angles P-C4'-P energy: -66.870 tors. eta vs tors. theta energy: -138.880 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: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1416.281168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.281168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.281168 (E_RNA) where: Base-Base interactions energy: -956.344 where: short stacking energy: -427.003 Base-Backbone interact. energy: 1.163 local terms energy: -461.100469 where: bonds (distance) C4'-P energy: -98.444 bonds (distance) P-C4' energy: -93.127 flat angles C4'-P-C4' energy: -96.537 flat angles P-C4'-P energy: -56.178 tors. eta vs tors. theta energy: -116.815 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: 2 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1268.559815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.559815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.559815 (E_RNA) where: Base-Base interactions energy: -857.857 where: short stacking energy: -357.223 Base-Backbone interact. energy: -1.336 local terms energy: -409.366592 where: bonds (distance) C4'-P energy: -95.780 bonds (distance) P-C4' energy: -75.095 flat angles C4'-P-C4' energy: -94.222 flat angles P-C4'-P energy: -59.164 tors. eta vs tors. theta energy: -85.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -791.796749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.796749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.796749 (E_RNA) where: Base-Base interactions energy: -466.443 where: short stacking energy: -232.446 Base-Backbone interact. energy: 0.205 local terms energy: -325.558663 where: bonds (distance) C4'-P energy: -76.469 bonds (distance) P-C4' energy: -94.387 flat angles C4'-P-C4' energy: -81.172 flat angles P-C4'-P energy: -49.943 tors. eta vs tors. theta energy: -23.587 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: 10, replica: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -459.870534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.870534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.870534 (E_RNA) where: Base-Base interactions energy: -161.362 where: short stacking energy: -142.838 Base-Backbone interact. energy: 3.413 local terms energy: -301.921366 where: bonds (distance) C4'-P energy: -88.600 bonds (distance) P-C4' energy: -90.975 flat angles C4'-P-C4' energy: -95.864 flat angles P-C4'-P energy: -40.940 tors. eta vs tors. theta energy: 14.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1924.040148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.040148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.040148 (E_RNA) where: Base-Base interactions energy: -1300.984 where: short stacking energy: -562.654 Base-Backbone interact. energy: -2.803 local terms energy: -620.252801 where: bonds (distance) C4'-P energy: -114.971 bonds (distance) P-C4' energy: -108.920 flat angles C4'-P-C4' energy: -125.196 flat angles P-C4'-P energy: -96.416 tors. eta vs tors. theta energy: -174.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1875.067510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.067510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.067510 (E_RNA) where: Base-Base interactions energy: -1282.379 where: short stacking energy: -563.534 Base-Backbone interact. energy: -3.234 local terms energy: -589.454638 where: bonds (distance) C4'-P energy: -95.734 bonds (distance) P-C4' energy: -109.688 flat angles C4'-P-C4' energy: -118.779 flat angles P-C4'-P energy: -88.587 tors. eta vs tors. theta energy: -176.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1752.949767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.949767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.949767 (E_RNA) where: Base-Base interactions energy: -1212.595 where: short stacking energy: -525.990 Base-Backbone interact. energy: -0.615 local terms energy: -539.739557 where: bonds (distance) C4'-P energy: -93.131 bonds (distance) P-C4' energy: -99.854 flat angles C4'-P-C4' energy: -114.523 flat angles P-C4'-P energy: -77.767 tors. eta vs tors. theta energy: -154.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1640.778509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.778509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.778509 (E_RNA) where: Base-Base interactions energy: -1104.645 where: short stacking energy: -493.345 Base-Backbone interact. energy: -2.729 local terms energy: -533.403872 where: bonds (distance) C4'-P energy: -99.900 bonds (distance) P-C4' energy: -93.871 flat angles C4'-P-C4' energy: -121.273 flat angles P-C4'-P energy: -75.768 tors. eta vs tors. theta energy: -142.592 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: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1568.250549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.250549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.250549 (E_RNA) where: Base-Base interactions energy: -1061.567 where: short stacking energy: -441.410 Base-Backbone interact. energy: -0.684 local terms energy: -506.000308 where: bonds (distance) C4'-P energy: -100.716 bonds (distance) P-C4' energy: -95.187 flat angles C4'-P-C4' energy: -120.589 flat angles P-C4'-P energy: -70.936 tors. eta vs tors. theta energy: -118.572 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: 6, replica: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1553.647317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.647317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.647317 (E_RNA) where: Base-Base interactions energy: -1068.193 where: short stacking energy: -457.481 Base-Backbone interact. energy: -1.405 local terms energy: -484.049763 where: bonds (distance) C4'-P energy: -84.288 bonds (distance) P-C4' energy: -96.032 flat angles C4'-P-C4' energy: -102.998 flat angles P-C4'-P energy: -74.285 tors. eta vs tors. theta energy: -126.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1383.843660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.843660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.843660 (E_RNA) where: Base-Base interactions energy: -936.753 where: short stacking energy: -388.571 Base-Backbone interact. energy: 0.245 local terms energy: -447.335739 where: bonds (distance) C4'-P energy: -98.526 bonds (distance) P-C4' energy: -103.757 flat angles C4'-P-C4' energy: -102.502 flat angles P-C4'-P energy: -48.746 tors. eta vs tors. theta energy: -93.806 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: 2 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1231.490373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.490373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.490373 (E_RNA) where: Base-Base interactions energy: -788.256 where: short stacking energy: -329.050 Base-Backbone interact. energy: 1.713 local terms energy: -444.947742 where: bonds (distance) C4'-P energy: -108.381 bonds (distance) P-C4' energy: -99.448 flat angles C4'-P-C4' energy: -97.621 flat angles P-C4'-P energy: -65.886 tors. eta vs tors. theta energy: -73.612 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: 353 Temperature: 1.300000 Total energy: -767.330826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.330826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.330826 (E_RNA) where: Base-Base interactions energy: -442.295 where: short stacking energy: -232.997 Base-Backbone interact. energy: 2.053 local terms energy: -327.089126 where: bonds (distance) C4'-P energy: -85.471 bonds (distance) P-C4' energy: -86.367 flat angles C4'-P-C4' energy: -67.584 flat angles P-C4'-P energy: -64.530 tors. eta vs tors. theta energy: -23.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -448.377473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.377473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.377473 (E_RNA) where: Base-Base interactions energy: -204.134 where: short stacking energy: -134.894 Base-Backbone interact. energy: 1.077 local terms energy: -245.320726 where: bonds (distance) C4'-P energy: -79.865 bonds (distance) P-C4' energy: -68.114 flat angles C4'-P-C4' energy: -80.305 flat angles P-C4'-P energy: -43.245 tors. eta vs tors. theta energy: 26.208 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: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1915.859543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.859543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.859543 (E_RNA) where: Base-Base interactions energy: -1318.483 where: short stacking energy: -569.556 Base-Backbone interact. energy: -0.439 local terms energy: -596.937810 where: bonds (distance) C4'-P energy: -113.077 bonds (distance) P-C4' energy: -104.483 flat angles C4'-P-C4' energy: -122.931 flat angles P-C4'-P energy: -81.486 tors. eta vs tors. theta energy: -174.961 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: 354 Temperature: 0.950000 Total energy: -1854.270019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.270019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.270019 (E_RNA) where: Base-Base interactions energy: -1275.690 where: short stacking energy: -566.279 Base-Backbone interact. energy: -2.266 local terms energy: -576.314665 where: bonds (distance) C4'-P energy: -101.902 bonds (distance) P-C4' energy: -100.812 flat angles C4'-P-C4' energy: -121.738 flat angles P-C4'-P energy: -78.000 tors. eta vs tors. theta energy: -173.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1696.977091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.977091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.977091 (E_RNA) where: Base-Base interactions energy: -1150.460 where: short stacking energy: -507.980 Base-Backbone interact. energy: -1.437 local terms energy: -545.080236 where: bonds (distance) C4'-P energy: -103.815 bonds (distance) P-C4' energy: -100.119 flat angles C4'-P-C4' energy: -119.707 flat angles P-C4'-P energy: -77.820 tors. eta vs tors. theta energy: -143.619 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: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1626.514691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.514691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.514691 (E_RNA) where: Base-Base interactions energy: -1102.778 where: short stacking energy: -476.997 Base-Backbone interact. energy: 0.007 local terms energy: -523.743952 where: bonds (distance) C4'-P energy: -95.669 bonds (distance) P-C4' energy: -104.439 flat angles C4'-P-C4' energy: -115.268 flat angles P-C4'-P energy: -68.861 tors. eta vs tors. theta energy: -139.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1574.118818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.118818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.118818 (E_RNA) where: Base-Base interactions energy: -1057.028 where: short stacking energy: -473.967 Base-Backbone interact. energy: -3.125 local terms energy: -513.965938 where: bonds (distance) C4'-P energy: -95.822 bonds (distance) P-C4' energy: -108.092 flat angles C4'-P-C4' energy: -102.975 flat angles P-C4'-P energy: -76.608 tors. eta vs tors. theta energy: -130.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1531.316430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.316430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.316430 (E_RNA) where: Base-Base interactions energy: -1015.423 where: short stacking energy: -450.157 Base-Backbone interact. energy: -0.035 local terms energy: -515.859188 where: bonds (distance) C4'-P energy: -94.690 bonds (distance) P-C4' energy: -100.436 flat angles C4'-P-C4' energy: -114.688 flat angles P-C4'-P energy: -75.753 tors. eta vs tors. theta energy: -130.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1367.814943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.814943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.814943 (E_RNA) where: Base-Base interactions energy: -926.194 where: short stacking energy: -394.373 Base-Backbone interact. energy: -1.152 local terms energy: -440.468918 where: bonds (distance) C4'-P energy: -71.686 bonds (distance) P-C4' energy: -106.707 flat angles C4'-P-C4' energy: -91.027 flat angles P-C4'-P energy: -80.088 tors. eta vs tors. theta energy: -90.960 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: 2 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1261.176785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.176785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.176785 (E_RNA) where: Base-Base interactions energy: -838.812 where: short stacking energy: -363.194 Base-Backbone interact. energy: 2.587 local terms energy: -424.952002 where: bonds (distance) C4'-P energy: -72.129 bonds (distance) P-C4' energy: -111.992 flat angles C4'-P-C4' energy: -106.982 flat angles P-C4'-P energy: -56.653 tors. eta vs tors. theta energy: -77.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -728.157852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.157852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.157852 (E_RNA) where: Base-Base interactions energy: -390.855 where: short stacking energy: -200.689 Base-Backbone interact. energy: 0.490 local terms energy: -337.792757 where: bonds (distance) C4'-P energy: -95.196 bonds (distance) P-C4' energy: -106.364 flat angles C4'-P-C4' energy: -66.038 flat angles P-C4'-P energy: -43.956 tors. eta vs tors. theta energy: -26.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -438.003025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.003025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.003025 (E_RNA) where: Base-Base interactions energy: -167.688 where: short stacking energy: -146.233 Base-Backbone interact. energy: 0.843 local terms energy: -271.157757 where: bonds (distance) C4'-P energy: -86.744 bonds (distance) P-C4' energy: -82.728 flat angles C4'-P-C4' energy: -78.246 flat angles P-C4'-P energy: -43.839 tors. eta vs tors. theta energy: 20.399 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: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1918.563657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.563657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.563657 (E_RNA) where: Base-Base interactions energy: -1322.547 where: short stacking energy: -560.537 Base-Backbone interact. energy: 1.328 local terms energy: -597.344685 where: bonds (distance) C4'-P energy: -113.709 bonds (distance) P-C4' energy: -112.154 flat angles C4'-P-C4' energy: -120.581 flat angles P-C4'-P energy: -76.494 tors. eta vs tors. theta energy: -174.407 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: 355 Temperature: 0.950000 Total energy: -1887.475619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.475619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.475619 (E_RNA) where: Base-Base interactions energy: -1299.328 where: short stacking energy: -568.553 Base-Backbone interact. energy: -0.991 local terms energy: -587.156433 where: bonds (distance) C4'-P energy: -105.213 bonds (distance) P-C4' energy: -112.466 flat angles C4'-P-C4' energy: -113.547 flat angles P-C4'-P energy: -82.311 tors. eta vs tors. theta energy: -173.620 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: 3 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1693.101902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.101902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.101902 (E_RNA) where: Base-Base interactions energy: -1170.441 where: short stacking energy: -504.233 Base-Backbone interact. energy: 3.053 local terms energy: -525.714360 where: bonds (distance) C4'-P energy: -98.615 bonds (distance) P-C4' energy: -95.921 flat angles C4'-P-C4' energy: -111.486 flat angles P-C4'-P energy: -73.581 tors. eta vs tors. theta energy: -146.111 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: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1638.017599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.017599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.017599 (E_RNA) where: Base-Base interactions energy: -1127.138 where: short stacking energy: -486.134 Base-Backbone interact. energy: -2.929 local terms energy: -507.950557 where: bonds (distance) C4'-P energy: -105.948 bonds (distance) P-C4' energy: -108.576 flat angles C4'-P-C4' energy: -104.098 flat angles P-C4'-P energy: -71.208 tors. eta vs tors. theta energy: -118.119 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: 355 Temperature: 1.100000 Total energy: -1602.743652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.743652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.743652 (E_RNA) where: Base-Base interactions energy: -1071.352 where: short stacking energy: -462.108 Base-Backbone interact. energy: -2.549 local terms energy: -528.842186 where: bonds (distance) C4'-P energy: -111.204 bonds (distance) P-C4' energy: -103.325 flat angles C4'-P-C4' energy: -112.871 flat angles P-C4'-P energy: -72.507 tors. eta vs tors. theta energy: -128.935 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: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1518.264480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.264480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.264480 (E_RNA) where: Base-Base interactions energy: -1048.234 where: short stacking energy: -441.283 Base-Backbone interact. energy: -3.239 local terms energy: -466.791326 where: bonds (distance) C4'-P energy: -72.638 bonds (distance) P-C4' energy: -95.283 flat angles C4'-P-C4' energy: -109.221 flat angles P-C4'-P energy: -66.539 tors. eta vs tors. theta energy: -123.111 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: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1351.798050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.798050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.798050 (E_RNA) where: Base-Base interactions energy: -933.964 where: short stacking energy: -378.716 Base-Backbone interact. energy: -3.076 local terms energy: -414.758058 where: bonds (distance) C4'-P energy: -82.871 bonds (distance) P-C4' energy: -98.876 flat angles C4'-P-C4' energy: -98.685 flat angles P-C4'-P energy: -59.329 tors. eta vs tors. theta energy: -74.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1272.826310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.826310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.826310 (E_RNA) where: Base-Base interactions energy: -855.565 where: short stacking energy: -364.301 Base-Backbone interact. energy: 3.015 local terms energy: -420.276683 where: bonds (distance) C4'-P energy: -85.957 bonds (distance) P-C4' energy: -86.156 flat angles C4'-P-C4' energy: -100.034 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: -87.249 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: 9 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -753.712051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.712051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.712051 (E_RNA) where: Base-Base interactions energy: -410.708 where: short stacking energy: -218.531 Base-Backbone interact. energy: -0.424 local terms energy: -342.580220 where: bonds (distance) C4'-P energy: -94.339 bonds (distance) P-C4' energy: -77.751 flat angles C4'-P-C4' energy: -92.399 flat angles P-C4'-P energy: -61.295 tors. eta vs tors. theta energy: -16.797 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: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -428.480860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.480860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.480860 (E_RNA) where: Base-Base interactions energy: -158.368 where: short stacking energy: -139.265 Base-Backbone interact. energy: 1.749 local terms energy: -271.861248 where: bonds (distance) C4'-P energy: -76.017 bonds (distance) P-C4' energy: -93.506 flat angles C4'-P-C4' energy: -75.614 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: 19.412 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: 7 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1890.303644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.303644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.303644 (E_RNA) where: Base-Base interactions energy: -1288.187 where: short stacking energy: -540.553 Base-Backbone interact. energy: -3.040 local terms energy: -599.076629 where: bonds (distance) C4'-P energy: -109.096 bonds (distance) P-C4' energy: -105.022 flat angles C4'-P-C4' energy: -131.242 flat angles P-C4'-P energy: -84.906 tors. eta vs tors. theta energy: -168.811 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: 5 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1863.434082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.434082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.434082 (E_RNA) where: Base-Base interactions energy: -1296.241 where: short stacking energy: -556.611 Base-Backbone interact. energy: -1.019 local terms energy: -566.173527 where: bonds (distance) C4'-P energy: -98.399 bonds (distance) P-C4' energy: -99.682 flat angles C4'-P-C4' energy: -124.460 flat angles P-C4'-P energy: -74.898 tors. eta vs tors. theta energy: -168.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1695.927074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.927074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.927074 (E_RNA) where: Base-Base interactions energy: -1137.869 where: short stacking energy: -508.605 Base-Backbone interact. energy: -1.627 local terms energy: -556.430993 where: bonds (distance) C4'-P energy: -111.704 bonds (distance) P-C4' energy: -114.144 flat angles C4'-P-C4' energy: -113.887 flat angles P-C4'-P energy: -74.474 tors. eta vs tors. theta energy: -142.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1636.284575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.284575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.284575 (E_RNA) where: Base-Base interactions energy: -1129.058 where: short stacking energy: -486.001 Base-Backbone interact. energy: -4.345 local terms energy: -502.881728 where: bonds (distance) C4'-P energy: -89.860 bonds (distance) P-C4' energy: -94.737 flat angles C4'-P-C4' energy: -109.599 flat angles P-C4'-P energy: -77.643 tors. eta vs tors. theta energy: -131.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1577.131321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.131321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.131321 (E_RNA) where: Base-Base interactions energy: -1056.939 where: short stacking energy: -459.792 Base-Backbone interact. energy: -0.372 local terms energy: -519.819923 where: bonds (distance) C4'-P energy: -111.220 bonds (distance) P-C4' energy: -104.082 flat angles C4'-P-C4' energy: -117.368 flat angles P-C4'-P energy: -62.665 tors. eta vs tors. theta energy: -124.484 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: 356 Temperature: 1.150000 Total energy: -1573.850630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.850630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.850630 (E_RNA) where: Base-Base interactions energy: -1068.497 where: short stacking energy: -472.571 Base-Backbone interact. energy: -2.286 local terms energy: -503.067792 where: bonds (distance) C4'-P energy: -83.109 bonds (distance) P-C4' energy: -93.303 flat angles C4'-P-C4' energy: -117.237 flat angles P-C4'-P energy: -73.073 tors. eta vs tors. theta energy: -136.347 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: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1365.606119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.606119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.606119 (E_RNA) where: Base-Base interactions energy: -921.189 where: short stacking energy: -396.686 Base-Backbone interact. energy: -0.844 local terms energy: -443.573092 where: bonds (distance) C4'-P energy: -86.683 bonds (distance) P-C4' energy: -104.213 flat angles C4'-P-C4' energy: -102.436 flat angles P-C4'-P energy: -65.036 tors. eta vs tors. theta energy: -85.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1242.098987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.098987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.098987 (E_RNA) where: Base-Base interactions energy: -828.656 where: short stacking energy: -350.068 Base-Backbone interact. energy: -3.406 local terms energy: -410.037013 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -76.407 flat angles C4'-P-C4' energy: -103.275 flat angles P-C4'-P energy: -66.538 tors. eta vs tors. theta energy: -74.506 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: 356 Temperature: 1.300000 Total energy: -714.902600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.902600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.902600 (E_RNA) where: Base-Base interactions energy: -386.336 where: short stacking energy: -191.744 Base-Backbone interact. energy: -2.634 local terms energy: -325.932484 where: bonds (distance) C4'-P energy: -90.073 bonds (distance) P-C4' energy: -101.021 flat angles C4'-P-C4' energy: -90.515 flat angles P-C4'-P energy: -40.639 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -422.633456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.633456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.633456 (E_RNA) where: Base-Base interactions energy: -121.307 where: short stacking energy: -102.340 Base-Backbone interact. energy: -0.576 local terms energy: -300.750423 where: bonds (distance) C4'-P energy: -99.038 bonds (distance) P-C4' energy: -84.378 flat angles C4'-P-C4' energy: -79.786 flat angles P-C4'-P energy: -47.583 tors. eta vs tors. theta energy: 10.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1910.633407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.633407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.633407 (E_RNA) where: Base-Base interactions energy: -1314.354 where: short stacking energy: -563.474 Base-Backbone interact. energy: -1.459 local terms energy: -594.819764 where: bonds (distance) C4'-P energy: -104.233 bonds (distance) P-C4' energy: -112.618 flat angles C4'-P-C4' energy: -126.870 flat angles P-C4'-P energy: -84.541 tors. eta vs tors. theta energy: -166.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1861.043779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.043779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.043779 (E_RNA) where: Base-Base interactions energy: -1249.874 where: short stacking energy: -539.027 Base-Backbone interact. energy: -0.309 local terms energy: -610.860091 where: bonds (distance) C4'-P energy: -114.031 bonds (distance) P-C4' energy: -109.312 flat angles C4'-P-C4' energy: -129.815 flat angles P-C4'-P energy: -87.415 tors. eta vs tors. theta energy: -170.286 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: 3 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1706.787545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.787545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.787545 (E_RNA) where: Base-Base interactions energy: -1153.153 where: short stacking energy: -510.698 Base-Backbone interact. energy: -0.357 local terms energy: -553.276895 where: bonds (distance) C4'-P energy: -108.848 bonds (distance) P-C4' energy: -99.837 flat angles C4'-P-C4' energy: -120.659 flat angles P-C4'-P energy: -79.790 tors. eta vs tors. theta energy: -144.143 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: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1626.938670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.938670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.938670 (E_RNA) where: Base-Base interactions energy: -1120.271 where: short stacking energy: -466.182 Base-Backbone interact. energy: -2.527 local terms energy: -504.140531 where: bonds (distance) C4'-P energy: -100.623 bonds (distance) P-C4' energy: -102.766 flat angles C4'-P-C4' energy: -116.400 flat angles P-C4'-P energy: -63.383 tors. eta vs tors. theta energy: -120.969 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: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1600.844464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.844464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.844464 (E_RNA) where: Base-Base interactions energy: -1095.691 where: short stacking energy: -470.370 Base-Backbone interact. energy: -1.597 local terms energy: -503.556780 where: bonds (distance) C4'-P energy: -83.711 bonds (distance) P-C4' energy: -99.021 flat angles C4'-P-C4' energy: -104.670 flat angles P-C4'-P energy: -80.260 tors. eta vs tors. theta energy: -135.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1538.518836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.518836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.518836 (E_RNA) where: Base-Base interactions energy: -1029.568 where: short stacking energy: -449.031 Base-Backbone interact. energy: -4.750 local terms energy: -504.200284 where: bonds (distance) C4'-P energy: -96.124 bonds (distance) P-C4' energy: -99.811 flat angles C4'-P-C4' energy: -114.194 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -119.838 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: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1360.701381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.701381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.701381 (E_RNA) where: Base-Base interactions energy: -925.726 where: short stacking energy: -384.815 Base-Backbone interact. energy: -0.001 local terms energy: -434.974750 where: bonds (distance) C4'-P energy: -81.738 bonds (distance) P-C4' energy: -82.260 flat angles C4'-P-C4' energy: -120.334 flat angles P-C4'-P energy: -55.565 tors. eta vs tors. theta energy: -95.077 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: 8, replica: 2 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1211.009697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.009697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.009697 (E_RNA) where: Base-Base interactions energy: -786.028 where: short stacking energy: -335.927 Base-Backbone interact. energy: -0.317 local terms energy: -424.665224 where: bonds (distance) C4'-P energy: -94.833 bonds (distance) P-C4' energy: -105.221 flat angles C4'-P-C4' energy: -93.069 flat angles P-C4'-P energy: -62.240 tors. eta vs tors. theta energy: -69.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -743.013862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.013862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.013862 (E_RNA) where: Base-Base interactions energy: -409.750 where: short stacking energy: -211.097 Base-Backbone interact. energy: 2.231 local terms energy: -335.494555 where: bonds (distance) C4'-P energy: -78.948 bonds (distance) P-C4' energy: -102.030 flat angles C4'-P-C4' energy: -92.169 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -12.780 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: 8 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -430.551519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.551519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.551519 (E_RNA) where: Base-Base interactions energy: -164.053 where: short stacking energy: -138.824 Base-Backbone interact. energy: 4.227 local terms energy: -270.725430 where: bonds (distance) C4'-P energy: -75.000 bonds (distance) P-C4' energy: -108.936 flat angles C4'-P-C4' energy: -74.308 flat angles P-C4'-P energy: -22.046 tors. eta vs tors. theta energy: 9.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1928.242289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.242289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.242289 (E_RNA) where: Base-Base interactions energy: -1321.444 where: short stacking energy: -586.458 Base-Backbone interact. energy: 3.051 local terms energy: -609.849181 where: bonds (distance) C4'-P energy: -108.521 bonds (distance) P-C4' energy: -114.297 flat angles C4'-P-C4' energy: -133.342 flat angles P-C4'-P energy: -75.449 tors. eta vs tors. theta energy: -178.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1855.613346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.613346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.613346 (E_RNA) where: Base-Base interactions energy: -1272.242 where: short stacking energy: -552.132 Base-Backbone interact. energy: -1.917 local terms energy: -581.454715 where: bonds (distance) C4'-P energy: -105.749 bonds (distance) P-C4' energy: -101.828 flat angles C4'-P-C4' energy: -124.101 flat angles P-C4'-P energy: -88.973 tors. eta vs tors. theta energy: -160.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1709.394872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.394872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.394872 (E_RNA) where: Base-Base interactions energy: -1169.552 where: short stacking energy: -498.149 Base-Backbone interact. energy: -1.882 local terms energy: -537.960818 where: bonds (distance) C4'-P energy: -109.191 bonds (distance) P-C4' energy: -94.445 flat angles C4'-P-C4' energy: -107.145 flat angles P-C4'-P energy: -85.445 tors. eta vs tors. theta energy: -141.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1638.829226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.829226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.829226 (E_RNA) where: Base-Base interactions energy: -1132.488 where: short stacking energy: -480.910 Base-Backbone interact. energy: 2.026 local terms energy: -508.367055 where: bonds (distance) C4'-P energy: -87.546 bonds (distance) P-C4' energy: -94.673 flat angles C4'-P-C4' energy: -122.910 flat angles P-C4'-P energy: -71.346 tors. eta vs tors. theta energy: -131.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1620.097500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.097500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.097500 (E_RNA) where: Base-Base interactions energy: -1102.399 where: short stacking energy: -468.031 Base-Backbone interact. energy: 4.928 local terms energy: -522.626763 where: bonds (distance) C4'-P energy: -101.859 bonds (distance) P-C4' energy: -98.685 flat angles C4'-P-C4' energy: -98.229 flat angles P-C4'-P energy: -78.623 tors. eta vs tors. theta energy: -145.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1546.316500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.316500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.316500 (E_RNA) where: Base-Base interactions energy: -1042.685 where: short stacking energy: -431.811 Base-Backbone interact. energy: -0.448 local terms energy: -503.183317 where: bonds (distance) C4'-P energy: -105.175 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -114.405 flat angles P-C4'-P energy: -79.057 tors. eta vs tors. theta energy: -113.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1404.695374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.695374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.695374 (E_RNA) where: Base-Base interactions energy: -954.655 where: short stacking energy: -408.249 Base-Backbone interact. energy: -1.164 local terms energy: -448.875640 where: bonds (distance) C4'-P energy: -92.613 bonds (distance) P-C4' energy: -99.868 flat angles C4'-P-C4' energy: -102.241 flat angles P-C4'-P energy: -56.501 tors. eta vs tors. theta energy: -97.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1261.064408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.064408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.064408 (E_RNA) where: Base-Base interactions energy: -827.821 where: short stacking energy: -395.151 Base-Backbone interact. energy: -0.379 local terms energy: -432.864791 where: bonds (distance) C4'-P energy: -90.752 bonds (distance) P-C4' energy: -102.733 flat angles C4'-P-C4' energy: -84.314 flat angles P-C4'-P energy: -56.344 tors. eta vs tors. theta energy: -98.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -737.850975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.850975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.850975 (E_RNA) where: Base-Base interactions energy: -411.931 where: short stacking energy: -214.479 Base-Backbone interact. energy: -1.082 local terms energy: -324.837871 where: bonds (distance) C4'-P energy: -95.629 bonds (distance) P-C4' energy: -87.126 flat angles C4'-P-C4' energy: -83.090 flat angles P-C4'-P energy: -53.875 tors. eta vs tors. theta energy: -5.117 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: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -390.244765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.244765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.244765 (E_RNA) where: Base-Base interactions energy: -107.228 where: short stacking energy: -106.744 Base-Backbone interact. energy: -2.098 local terms energy: -280.918215 where: bonds (distance) C4'-P energy: -84.361 bonds (distance) P-C4' energy: -112.744 flat angles C4'-P-C4' energy: -63.960 flat angles P-C4'-P energy: -42.751 tors. eta vs tors. theta energy: 22.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1935.956848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.956848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.956848 (E_RNA) where: Base-Base interactions energy: -1344.084 where: short stacking energy: -569.639 Base-Backbone interact. energy: 1.757 local terms energy: -593.630550 where: bonds (distance) C4'-P energy: -109.659 bonds (distance) P-C4' energy: -103.470 flat angles C4'-P-C4' energy: -124.944 flat angles P-C4'-P energy: -81.592 tors. eta vs tors. theta energy: -173.966 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: 359 Temperature: 0.950000 Total energy: -1881.636101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.636101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.636101 (E_RNA) where: Base-Base interactions energy: -1313.773 where: short stacking energy: -564.338 Base-Backbone interact. energy: 1.014 local terms energy: -568.876990 where: bonds (distance) C4'-P energy: -101.073 bonds (distance) P-C4' energy: -103.160 flat angles C4'-P-C4' energy: -125.867 flat angles P-C4'-P energy: -77.066 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: 3, replica: 3 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1719.353604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.353604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.353604 (E_RNA) where: Base-Base interactions energy: -1187.071 where: short stacking energy: -515.209 Base-Backbone interact. energy: -1.311 local terms energy: -530.971094 where: bonds (distance) C4'-P energy: -95.763 bonds (distance) P-C4' energy: -99.129 flat angles C4'-P-C4' energy: -102.953 flat angles P-C4'-P energy: -84.545 tors. eta vs tors. theta energy: -148.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1641.133175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.133175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.133175 (E_RNA) where: Base-Base interactions energy: -1101.901 where: short stacking energy: -490.515 Base-Backbone interact. energy: -1.383 local terms energy: -537.848597 where: bonds (distance) C4'-P energy: -120.942 bonds (distance) P-C4' energy: -92.939 flat angles C4'-P-C4' energy: -107.275 flat angles P-C4'-P energy: -77.499 tors. eta vs tors. theta energy: -139.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1573.501764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.501764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.501764 (E_RNA) where: Base-Base interactions energy: -1096.060 where: short stacking energy: -449.422 Base-Backbone interact. energy: -1.264 local terms energy: -476.177577 where: bonds (distance) C4'-P energy: -100.485 bonds (distance) P-C4' energy: -97.598 flat angles C4'-P-C4' energy: -95.243 flat angles P-C4'-P energy: -62.235 tors. eta vs tors. theta energy: -120.616 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: 6 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1521.124847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.124847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.124847 (E_RNA) where: Base-Base interactions energy: -1019.080 where: short stacking energy: -440.643 Base-Backbone interact. energy: 0.413 local terms energy: -502.458234 where: bonds (distance) C4'-P energy: -96.948 bonds (distance) P-C4' energy: -102.492 flat angles C4'-P-C4' energy: -104.666 flat angles P-C4'-P energy: -77.583 tors. eta vs tors. theta energy: -120.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1426.057464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.057464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.057464 (E_RNA) where: Base-Base interactions energy: -956.801 where: short stacking energy: -415.391 Base-Backbone interact. energy: 0.371 local terms energy: -469.627128 where: bonds (distance) C4'-P energy: -101.177 bonds (distance) P-C4' energy: -100.697 flat angles C4'-P-C4' energy: -104.865 flat angles P-C4'-P energy: -59.566 tors. eta vs tors. theta energy: -103.323 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: 2 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1289.555423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.555423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.555423 (E_RNA) where: Base-Base interactions energy: -830.413 where: short stacking energy: -355.745 Base-Backbone interact. energy: -2.388 local terms energy: -456.754350 where: bonds (distance) C4'-P energy: -100.014 bonds (distance) P-C4' energy: -108.708 flat angles C4'-P-C4' energy: -98.249 flat angles P-C4'-P energy: -50.644 tors. eta vs tors. theta energy: -99.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -824.432015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.432015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.432015 (E_RNA) where: Base-Base interactions energy: -514.228 where: short stacking energy: -249.777 Base-Backbone interact. energy: -0.426 local terms energy: -309.777556 where: bonds (distance) C4'-P energy: -66.046 bonds (distance) P-C4' energy: -86.327 flat angles C4'-P-C4' energy: -65.910 flat angles P-C4'-P energy: -52.814 tors. eta vs tors. theta energy: -38.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -443.818001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.818001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.818001 (E_RNA) where: Base-Base interactions energy: -150.315 where: short stacking energy: -131.483 Base-Backbone interact. energy: 5.131 local terms energy: -298.633535 where: bonds (distance) C4'-P energy: -91.324 bonds (distance) P-C4' energy: -100.619 flat angles C4'-P-C4' energy: -79.602 flat angles P-C4'-P energy: -32.694 tors. eta vs tors. theta energy: 5.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1928.482314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.482314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.482314 (E_RNA) where: Base-Base interactions energy: -1335.492 where: short stacking energy: -560.243 Base-Backbone interact. energy: -5.155 local terms energy: -587.835542 where: bonds (distance) C4'-P energy: -118.534 bonds (distance) P-C4' energy: -102.097 flat angles C4'-P-C4' energy: -114.281 flat angles P-C4'-P energy: -85.246 tors. eta vs tors. theta energy: -167.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1859.764330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.764330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.764330 (E_RNA) where: Base-Base interactions energy: -1262.043 where: short stacking energy: -554.423 Base-Backbone interact. energy: -0.421 local terms energy: -597.300061 where: bonds (distance) C4'-P energy: -97.138 bonds (distance) P-C4' energy: -114.091 flat angles C4'-P-C4' energy: -117.429 flat angles P-C4'-P energy: -95.461 tors. eta vs tors. theta energy: -173.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1724.280161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.280161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.280161 (E_RNA) where: Base-Base interactions energy: -1173.536 where: short stacking energy: -505.496 Base-Backbone interact. energy: -1.492 local terms energy: -549.252064 where: bonds (distance) C4'-P energy: -109.495 bonds (distance) P-C4' energy: -111.498 flat angles C4'-P-C4' energy: -113.619 flat angles P-C4'-P energy: -72.939 tors. eta vs tors. theta energy: -141.702 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: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1696.231888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.231888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.231888 (E_RNA) where: Base-Base interactions energy: -1157.719 where: short stacking energy: -533.291 Base-Backbone interact. energy: 3.389 local terms energy: -541.902595 where: bonds (distance) C4'-P energy: -87.253 bonds (distance) P-C4' energy: -108.102 flat angles C4'-P-C4' energy: -121.386 flat angles P-C4'-P energy: -76.669 tors. eta vs tors. theta energy: -148.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1610.197371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.197371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.197371 (E_RNA) where: Base-Base interactions energy: -1125.226 where: short stacking energy: -483.735 Base-Backbone interact. energy: -1.171 local terms energy: -483.800072 where: bonds (distance) C4'-P energy: -85.488 bonds (distance) P-C4' energy: -91.240 flat angles C4'-P-C4' energy: -112.210 flat angles P-C4'-P energy: -62.761 tors. eta vs tors. theta energy: -132.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1505.059280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.059280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.059280 (E_RNA) where: Base-Base interactions energy: -1017.244 where: short stacking energy: -411.339 Base-Backbone interact. energy: -3.280 local terms energy: -484.535815 where: bonds (distance) C4'-P energy: -106.819 bonds (distance) P-C4' energy: -88.978 flat angles C4'-P-C4' energy: -112.035 flat angles P-C4'-P energy: -73.956 tors. eta vs tors. theta energy: -102.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1438.884120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.884120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.884120 (E_RNA) where: Base-Base interactions energy: -1032.978 where: short stacking energy: -444.491 Base-Backbone interact. energy: 4.560 local terms energy: -410.466417 where: bonds (distance) C4'-P energy: -62.202 bonds (distance) P-C4' energy: -69.964 flat angles C4'-P-C4' energy: -96.964 flat angles P-C4'-P energy: -71.230 tors. eta vs tors. theta energy: -110.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1271.427320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.427320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.427320 (E_RNA) where: Base-Base interactions energy: -827.453 where: short stacking energy: -358.134 Base-Backbone interact. energy: 1.524 local terms energy: -445.498313 where: bonds (distance) C4'-P energy: -88.543 bonds (distance) P-C4' energy: -96.590 flat angles C4'-P-C4' energy: -105.955 flat angles P-C4'-P energy: -66.748 tors. eta vs tors. theta energy: -87.663 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: 9 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -831.877873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.877873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.877873 (E_RNA) where: Base-Base interactions energy: -490.898 where: short stacking energy: -264.441 Base-Backbone interact. energy: -4.688 local terms energy: -336.291374 where: bonds (distance) C4'-P energy: -84.815 bonds (distance) P-C4' energy: -72.357 flat angles C4'-P-C4' energy: -80.595 flat angles P-C4'-P energy: -60.334 tors. eta vs tors. theta energy: -38.191 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: 10, replica: 8 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -477.755958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.755958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.755958 (E_RNA) where: Base-Base interactions energy: -168.884 where: short stacking energy: -118.805 Base-Backbone interact. energy: 2.530 local terms energy: -311.402439 where: bonds (distance) C4'-P energy: -80.432 bonds (distance) P-C4' energy: -94.038 flat angles C4'-P-C4' energy: -86.614 flat angles P-C4'-P energy: -55.951 tors. eta vs tors. theta energy: 5.633 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: 7 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1961.082919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.082919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.082919 (E_RNA) where: Base-Base interactions energy: -1349.564 where: short stacking energy: -580.812 Base-Backbone interact. energy: -0.693 local terms energy: -610.826046 where: bonds (distance) C4'-P energy: -111.900 bonds (distance) P-C4' energy: -103.341 flat angles C4'-P-C4' energy: -128.516 flat angles P-C4'-P energy: -93.844 tors. eta vs tors. theta energy: -173.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1863.781401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.781401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.781401 (E_RNA) where: Base-Base interactions energy: -1255.905 where: short stacking energy: -543.575 Base-Backbone interact. energy: -0.961 local terms energy: -606.915747 where: bonds (distance) C4'-P energy: -107.764 bonds (distance) P-C4' energy: -112.398 flat angles C4'-P-C4' energy: -125.492 flat angles P-C4'-P energy: -86.860 tors. eta vs tors. theta energy: -174.401 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: 3 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1712.431744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.431744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.431744 (E_RNA) where: Base-Base interactions energy: -1158.037 where: short stacking energy: -491.958 Base-Backbone interact. energy: -2.656 local terms energy: -551.738613 where: bonds (distance) C4'-P energy: -96.674 bonds (distance) P-C4' energy: -116.012 flat angles C4'-P-C4' energy: -113.841 flat angles P-C4'-P energy: -86.050 tors. eta vs tors. theta energy: -139.161 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: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1672.394269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.394269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.394269 (E_RNA) where: Base-Base interactions energy: -1098.467 where: short stacking energy: -492.280 Base-Backbone interact. energy: -2.395 local terms energy: -571.532336 where: bonds (distance) C4'-P energy: -105.692 bonds (distance) P-C4' energy: -111.592 flat angles C4'-P-C4' energy: -111.847 flat angles P-C4'-P energy: -88.652 tors. eta vs tors. theta energy: -153.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1613.777399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.777399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.777399 (E_RNA) where: Base-Base interactions energy: -1101.919 where: short stacking energy: -462.676 Base-Backbone interact. energy: -5.416 local terms energy: -506.442278 where: bonds (distance) C4'-P energy: -89.097 bonds (distance) P-C4' energy: -110.634 flat angles C4'-P-C4' energy: -108.719 flat angles P-C4'-P energy: -75.581 tors. eta vs tors. theta energy: -122.411 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: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1498.439060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.439060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.439060 (E_RNA) where: Base-Base interactions energy: -1013.490 where: short stacking energy: -446.538 Base-Backbone interact. energy: -0.649 local terms energy: -484.299765 where: bonds (distance) C4'-P energy: -89.264 bonds (distance) P-C4' energy: -86.677 flat angles C4'-P-C4' energy: -116.454 flat angles P-C4'-P energy: -71.730 tors. eta vs tors. theta energy: -120.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1432.607257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.607257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.607257 (E_RNA) where: Base-Base interactions energy: -954.369 where: short stacking energy: -399.275 Base-Backbone interact. energy: 0.533 local terms energy: -478.772032 where: bonds (distance) C4'-P energy: -97.513 bonds (distance) P-C4' energy: -89.874 flat angles C4'-P-C4' energy: -106.172 flat angles P-C4'-P energy: -73.185 tors. eta vs tors. theta energy: -112.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1285.433716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.433716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.433716 (E_RNA) where: Base-Base interactions energy: -871.917 where: short stacking energy: -343.728 Base-Backbone interact. energy: -2.439 local terms energy: -411.077580 where: bonds (distance) C4'-P energy: -85.735 bonds (distance) P-C4' energy: -88.716 flat angles C4'-P-C4' energy: -93.505 flat angles P-C4'-P energy: -68.085 tors. eta vs tors. theta energy: -75.037 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: 9 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -848.984261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.984261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.984261 (E_RNA) where: Base-Base interactions energy: -514.493 where: short stacking energy: -248.648 Base-Backbone interact. energy: 2.195 local terms energy: -336.686791 where: bonds (distance) C4'-P energy: -91.928 bonds (distance) P-C4' energy: -84.193 flat angles C4'-P-C4' energy: -68.114 flat angles P-C4'-P energy: -62.609 tors. eta vs tors. theta energy: -29.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -477.277074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.277074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.277074 (E_RNA) where: Base-Base interactions energy: -210.690 where: short stacking energy: -135.429 Base-Backbone interact. energy: -1.521 local terms energy: -265.065505 where: bonds (distance) C4'-P energy: -78.000 bonds (distance) P-C4' energy: -100.885 flat angles C4'-P-C4' energy: -71.517 flat angles P-C4'-P energy: -36.169 tors. eta vs tors. theta energy: 21.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1931.697496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.697496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.697496 (E_RNA) where: Base-Base interactions energy: -1347.149 where: short stacking energy: -600.376 Base-Backbone interact. energy: 1.742 local terms energy: -586.291064 where: bonds (distance) C4'-P energy: -104.054 bonds (distance) P-C4' energy: -100.911 flat angles C4'-P-C4' energy: -126.187 flat angles P-C4'-P energy: -78.125 tors. eta vs tors. theta energy: -177.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1857.306595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.306595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.306595 (E_RNA) where: Base-Base interactions energy: -1264.125 where: short stacking energy: -554.876 Base-Backbone interact. energy: -2.346 local terms energy: -590.835178 where: bonds (distance) C4'-P energy: -107.332 bonds (distance) P-C4' energy: -113.849 flat angles C4'-P-C4' energy: -118.753 flat angles P-C4'-P energy: -78.814 tors. eta vs tors. theta energy: -172.087 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: 362 Temperature: 1.000000 Total energy: -1724.761202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.761202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.761202 (E_RNA) where: Base-Base interactions energy: -1172.108 where: short stacking energy: -542.124 Base-Backbone interact. energy: -1.151 local terms energy: -551.502123 where: bonds (distance) C4'-P energy: -91.752 bonds (distance) P-C4' energy: -100.778 flat angles C4'-P-C4' energy: -126.610 flat angles P-C4'-P energy: -83.210 tors. eta vs tors. theta energy: -149.153 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: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1671.480210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.480210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.480210 (E_RNA) where: Base-Base interactions energy: -1147.079 where: short stacking energy: -479.594 Base-Backbone interact. energy: -1.262 local terms energy: -523.138989 where: bonds (distance) C4'-P energy: -106.945 bonds (distance) P-C4' energy: -95.218 flat angles C4'-P-C4' energy: -102.100 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -145.239 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: 10 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1590.867825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.867825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.867825 (E_RNA) where: Base-Base interactions energy: -1088.899 where: short stacking energy: -459.890 Base-Backbone interact. energy: -0.552 local terms energy: -501.417605 where: bonds (distance) C4'-P energy: -109.931 bonds (distance) P-C4' energy: -100.730 flat angles C4'-P-C4' energy: -105.712 flat angles P-C4'-P energy: -68.859 tors. eta vs tors. theta energy: -116.186 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: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1522.800081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.800081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.800081 (E_RNA) where: Base-Base interactions energy: -1037.896 where: short stacking energy: -460.275 Base-Backbone interact. energy: -0.831 local terms energy: -484.073160 where: bonds (distance) C4'-P energy: -91.405 bonds (distance) P-C4' energy: -86.329 flat angles C4'-P-C4' energy: -119.003 flat angles P-C4'-P energy: -64.793 tors. eta vs tors. theta energy: -122.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1428.627123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.627123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.627123 (E_RNA) where: Base-Base interactions energy: -964.443 where: short stacking energy: -406.024 Base-Backbone interact. energy: 0.767 local terms energy: -464.951025 where: bonds (distance) C4'-P energy: -98.726 bonds (distance) P-C4' energy: -98.921 flat angles C4'-P-C4' energy: -103.030 flat angles P-C4'-P energy: -59.305 tors. eta vs tors. theta energy: -104.969 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: 2 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1280.360573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.360573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.360573 (E_RNA) where: Base-Base interactions energy: -881.738 where: short stacking energy: -390.055 Base-Backbone interact. energy: -0.375 local terms energy: -398.246869 where: bonds (distance) C4'-P energy: -68.077 bonds (distance) P-C4' energy: -84.603 flat angles C4'-P-C4' energy: -102.530 flat angles P-C4'-P energy: -51.586 tors. eta vs tors. theta energy: -91.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -821.444784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.444784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.444784 (E_RNA) where: Base-Base interactions energy: -454.157 where: short stacking energy: -219.639 Base-Backbone interact. energy: -2.521 local terms energy: -364.766716 where: bonds (distance) C4'-P energy: -97.627 bonds (distance) P-C4' energy: -77.487 flat angles C4'-P-C4' energy: -103.272 flat angles P-C4'-P energy: -46.036 tors. eta vs tors. theta energy: -40.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -499.885315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.885315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.885315 (E_RNA) where: Base-Base interactions energy: -233.099 where: short stacking energy: -147.586 Base-Backbone interact. energy: 3.838 local terms energy: -270.625141 where: bonds (distance) C4'-P energy: -79.293 bonds (distance) P-C4' energy: -79.252 flat angles C4'-P-C4' energy: -84.190 flat angles P-C4'-P energy: -43.230 tors. eta vs tors. theta energy: 15.340 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: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1948.328246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.328246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.328246 (E_RNA) where: Base-Base interactions energy: -1328.397 where: short stacking energy: -598.934 Base-Backbone interact. energy: -2.947 local terms energy: -616.984274 where: bonds (distance) C4'-P energy: -118.846 bonds (distance) P-C4' energy: -111.818 flat angles C4'-P-C4' energy: -128.115 flat angles P-C4'-P energy: -80.058 tors. eta vs tors. theta energy: -178.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1856.372148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.372148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.372148 (E_RNA) where: Base-Base interactions energy: -1256.133 where: short stacking energy: -545.080 Base-Backbone interact. energy: 0.541 local terms energy: -600.780309 where: bonds (distance) C4'-P energy: -113.792 bonds (distance) P-C4' energy: -106.185 flat angles C4'-P-C4' energy: -120.675 flat angles P-C4'-P energy: -87.982 tors. eta vs tors. theta energy: -172.145 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: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1721.147868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.147868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.147868 (E_RNA) where: Base-Base interactions energy: -1174.652 where: short stacking energy: -499.397 Base-Backbone interact. energy: 3.507 local terms energy: -550.002300 where: bonds (distance) C4'-P energy: -93.141 bonds (distance) P-C4' energy: -99.656 flat angles C4'-P-C4' energy: -119.117 flat angles P-C4'-P energy: -82.227 tors. eta vs tors. theta energy: -155.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1699.526951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.526951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.526951 (E_RNA) where: Base-Base interactions energy: -1159.647 where: short stacking energy: -512.818 Base-Backbone interact. energy: -2.296 local terms energy: -537.584437 where: bonds (distance) C4'-P energy: -98.310 bonds (distance) P-C4' energy: -104.149 flat angles C4'-P-C4' energy: -118.064 flat angles P-C4'-P energy: -66.116 tors. eta vs tors. theta energy: -150.944 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: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1635.754746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.754746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.754746 (E_RNA) where: Base-Base interactions energy: -1130.645 where: short stacking energy: -465.612 Base-Backbone interact. energy: -1.273 local terms energy: -503.836507 where: bonds (distance) C4'-P energy: -94.860 bonds (distance) P-C4' energy: -95.451 flat angles C4'-P-C4' energy: -107.098 flat angles P-C4'-P energy: -62.546 tors. eta vs tors. theta energy: -143.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1510.970169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.970169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.970169 (E_RNA) where: Base-Base interactions energy: -1031.425 where: short stacking energy: -456.527 Base-Backbone interact. energy: -1.552 local terms energy: -477.992999 where: bonds (distance) C4'-P energy: -89.258 bonds (distance) P-C4' energy: -94.362 flat angles C4'-P-C4' energy: -98.048 flat angles P-C4'-P energy: -66.555 tors. eta vs tors. theta energy: -129.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1452.521725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.521725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.521725 (E_RNA) where: Base-Base interactions energy: -969.371 where: short stacking energy: -417.573 Base-Backbone interact. energy: 2.503 local terms energy: -485.654066 where: bonds (distance) C4'-P energy: -80.270 bonds (distance) P-C4' energy: -99.688 flat angles C4'-P-C4' energy: -112.092 flat angles P-C4'-P energy: -77.027 tors. eta vs tors. theta energy: -116.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1288.862020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.862020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.862020 (E_RNA) where: Base-Base interactions energy: -825.599 where: short stacking energy: -370.291 Base-Backbone interact. energy: -2.330 local terms energy: -460.933044 where: bonds (distance) C4'-P energy: -88.940 bonds (distance) P-C4' energy: -104.403 flat angles C4'-P-C4' energy: -89.651 flat angles P-C4'-P energy: -78.323 tors. eta vs tors. theta energy: -99.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -841.740692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.740692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.740692 (E_RNA) where: Base-Base interactions energy: -500.075 where: short stacking energy: -233.749 Base-Backbone interact. energy: -0.376 local terms energy: -341.289245 where: bonds (distance) C4'-P energy: -101.461 bonds (distance) P-C4' energy: -87.636 flat angles C4'-P-C4' energy: -81.150 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: -22.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -528.179299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.179299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.179299 (E_RNA) where: Base-Base interactions energy: -224.748 where: short stacking energy: -146.529 Base-Backbone interact. energy: -4.062 local terms energy: -299.369199 where: bonds (distance) C4'-P energy: -86.214 bonds (distance) P-C4' energy: -93.648 flat angles C4'-P-C4' energy: -70.413 flat angles P-C4'-P energy: -48.034 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1962.798064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.798064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.798064 (E_RNA) where: Base-Base interactions energy: -1348.901 where: short stacking energy: -580.940 Base-Backbone interact. energy: -2.943 local terms energy: -610.954022 where: bonds (distance) C4'-P energy: -104.306 bonds (distance) P-C4' energy: -124.855 flat angles C4'-P-C4' energy: -120.631 flat angles P-C4'-P energy: -89.583 tors. eta vs tors. theta energy: -171.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1857.813429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.813429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.813429 (E_RNA) where: Base-Base interactions energy: -1255.466 where: short stacking energy: -540.322 Base-Backbone interact. energy: -2.454 local terms energy: -599.893986 where: bonds (distance) C4'-P energy: -109.293 bonds (distance) P-C4' energy: -124.409 flat angles C4'-P-C4' energy: -117.056 flat angles P-C4'-P energy: -89.045 tors. eta vs tors. theta energy: -160.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1716.759375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.759375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.759375 (E_RNA) where: Base-Base interactions energy: -1184.364 where: short stacking energy: -515.633 Base-Backbone interact. energy: -2.377 local terms energy: -530.018117 where: bonds (distance) C4'-P energy: -98.215 bonds (distance) P-C4' energy: -100.926 flat angles C4'-P-C4' energy: -111.423 flat angles P-C4'-P energy: -81.841 tors. eta vs tors. theta energy: -137.613 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: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1684.841737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.841737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.841737 (E_RNA) where: Base-Base interactions energy: -1158.621 where: short stacking energy: -497.386 Base-Backbone interact. energy: -0.555 local terms energy: -525.666193 where: bonds (distance) C4'-P energy: -101.937 bonds (distance) P-C4' energy: -98.680 flat angles C4'-P-C4' energy: -114.738 flat angles P-C4'-P energy: -74.628 tors. eta vs tors. theta energy: -135.683 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: 10 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1606.775026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.775026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.775026 (E_RNA) where: Base-Base interactions energy: -1104.514 where: short stacking energy: -484.992 Base-Backbone interact. energy: -1.405 local terms energy: -500.856395 where: bonds (distance) C4'-P energy: -95.561 bonds (distance) P-C4' energy: -94.672 flat angles C4'-P-C4' energy: -113.765 flat angles P-C4'-P energy: -70.970 tors. eta vs tors. theta energy: -125.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1475.950856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.950856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.950856 (E_RNA) where: Base-Base interactions energy: -1003.609 where: short stacking energy: -418.835 Base-Backbone interact. energy: -1.304 local terms energy: -471.037570 where: bonds (distance) C4'-P energy: -91.844 bonds (distance) P-C4' energy: -93.413 flat angles C4'-P-C4' energy: -106.435 flat angles P-C4'-P energy: -67.835 tors. eta vs tors. theta energy: -111.511 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: 364 Temperature: 1.200000 Total energy: -1476.912510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.912510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.912510 (E_RNA) where: Base-Base interactions energy: -1008.468 where: short stacking energy: -426.255 Base-Backbone interact. energy: -1.082 local terms energy: -467.362792 where: bonds (distance) C4'-P energy: -100.427 bonds (distance) P-C4' energy: -89.934 flat angles C4'-P-C4' energy: -93.495 flat angles P-C4'-P energy: -71.442 tors. eta vs tors. theta energy: -112.064 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: 8, replica: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1295.965715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.965715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.965715 (E_RNA) where: Base-Base interactions energy: -854.199 where: short stacking energy: -353.050 Base-Backbone interact. energy: 0.741 local terms energy: -442.508178 where: bonds (distance) C4'-P energy: -98.376 bonds (distance) P-C4' energy: -84.258 flat angles C4'-P-C4' energy: -93.249 flat angles P-C4'-P energy: -63.056 tors. eta vs tors. theta energy: -103.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -813.898895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.898895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.898895 (E_RNA) where: Base-Base interactions energy: -467.206 where: short stacking energy: -237.925 Base-Backbone interact. energy: -0.785 local terms energy: -345.907249 where: bonds (distance) C4'-P energy: -101.110 bonds (distance) P-C4' energy: -76.254 flat angles C4'-P-C4' energy: -81.874 flat angles P-C4'-P energy: -47.685 tors. eta vs tors. theta energy: -38.984 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: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -486.991562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.991562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.991562 (E_RNA) where: Base-Base interactions energy: -206.528 where: short stacking energy: -149.072 Base-Backbone interact. energy: -2.602 local terms energy: -277.861055 where: bonds (distance) C4'-P energy: -62.016 bonds (distance) P-C4' energy: -97.025 flat angles C4'-P-C4' energy: -73.498 flat angles P-C4'-P energy: -51.435 tors. eta vs tors. theta energy: 6.114 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: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1933.956477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.956477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.956477 (E_RNA) where: Base-Base interactions energy: -1354.488 where: short stacking energy: -573.892 Base-Backbone interact. energy: -1.864 local terms energy: -577.604812 where: bonds (distance) C4'-P energy: -108.675 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -119.764 flat angles P-C4'-P energy: -81.200 tors. eta vs tors. theta energy: -176.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1844.047310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.047310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.047310 (E_RNA) where: Base-Base interactions energy: -1269.161 where: short stacking energy: -538.595 Base-Backbone interact. energy: -2.617 local terms energy: -572.269697 where: bonds (distance) C4'-P energy: -118.186 bonds (distance) P-C4' energy: -89.904 flat angles C4'-P-C4' energy: -105.392 flat angles P-C4'-P energy: -92.148 tors. eta vs tors. theta energy: -166.640 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: 3, replica: 4 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1708.768949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.768949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.768949 (E_RNA) where: Base-Base interactions energy: -1149.833 where: short stacking energy: -504.669 Base-Backbone interact. energy: -1.839 local terms energy: -557.097308 where: bonds (distance) C4'-P energy: -103.753 bonds (distance) P-C4' energy: -113.756 flat angles C4'-P-C4' energy: -122.159 flat angles P-C4'-P energy: -80.622 tors. eta vs tors. theta energy: -136.809 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: 3 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1658.126260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.126260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.126260 (E_RNA) where: Base-Base interactions energy: -1122.141 where: short stacking energy: -488.424 Base-Backbone interact. energy: -0.655 local terms energy: -535.330130 where: bonds (distance) C4'-P energy: -94.815 bonds (distance) P-C4' energy: -97.046 flat angles C4'-P-C4' energy: -114.417 flat angles P-C4'-P energy: -78.539 tors. eta vs tors. theta energy: -150.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1589.093116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.093116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.093116 (E_RNA) where: Base-Base interactions energy: -1098.861 where: short stacking energy: -473.552 Base-Backbone interact. energy: -1.877 local terms energy: -488.355606 where: bonds (distance) C4'-P energy: -89.002 bonds (distance) P-C4' energy: -96.326 flat angles C4'-P-C4' energy: -112.072 flat angles P-C4'-P energy: -70.306 tors. eta vs tors. theta energy: -120.650 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: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1509.804503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.804503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.804503 (E_RNA) where: Base-Base interactions energy: -1042.057 where: short stacking energy: -447.867 Base-Backbone interact. energy: -0.391 local terms energy: -467.355753 where: bonds (distance) C4'-P energy: -90.295 bonds (distance) P-C4' energy: -88.073 flat angles C4'-P-C4' energy: -98.339 flat angles P-C4'-P energy: -73.622 tors. eta vs tors. theta energy: -117.026 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: 1 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1411.481554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.481554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.481554 (E_RNA) where: Base-Base interactions energy: -971.070 where: short stacking energy: -389.381 Base-Backbone interact. energy: 0.308 local terms energy: -440.720091 where: bonds (distance) C4'-P energy: -88.780 bonds (distance) P-C4' energy: -85.843 flat angles C4'-P-C4' energy: -104.893 flat angles P-C4'-P energy: -59.311 tors. eta vs tors. theta energy: -101.893 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: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1277.657729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.657729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.657729 (E_RNA) where: Base-Base interactions energy: -871.707 where: short stacking energy: -359.784 Base-Backbone interact. energy: 6.763 local terms energy: -412.713951 where: bonds (distance) C4'-P energy: -79.165 bonds (distance) P-C4' energy: -94.071 flat angles C4'-P-C4' energy: -90.701 flat angles P-C4'-P energy: -64.354 tors. eta vs tors. theta energy: -84.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -802.350208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.350208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.350208 (E_RNA) where: Base-Base interactions energy: -451.941 where: short stacking energy: -226.854 Base-Backbone interact. energy: -2.663 local terms energy: -347.746035 where: bonds (distance) C4'-P energy: -99.458 bonds (distance) P-C4' energy: -97.875 flat angles C4'-P-C4' energy: -85.165 flat angles P-C4'-P energy: -48.675 tors. eta vs tors. theta energy: -16.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -482.655868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.655868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.655868 (E_RNA) where: Base-Base interactions energy: -197.311 where: short stacking energy: -144.595 Base-Backbone interact. energy: -1.057 local terms energy: -284.287678 where: bonds (distance) C4'-P energy: -81.852 bonds (distance) P-C4' energy: -101.274 flat angles C4'-P-C4' energy: -70.576 flat angles P-C4'-P energy: -39.576 tors. eta vs tors. theta energy: 8.990 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: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1947.289781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.289781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.289781 (E_RNA) where: Base-Base interactions energy: -1340.700 where: short stacking energy: -600.434 Base-Backbone interact. energy: -1.458 local terms energy: -605.131863 where: bonds (distance) C4'-P energy: -111.515 bonds (distance) P-C4' energy: -109.388 flat angles C4'-P-C4' energy: -125.149 flat angles P-C4'-P energy: -80.602 tors. eta vs tors. theta energy: -178.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1879.715469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.715469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.715469 (E_RNA) where: Base-Base interactions energy: -1282.511 where: short stacking energy: -552.316 Base-Backbone interact. energy: -3.036 local terms energy: -594.168619 where: bonds (distance) C4'-P energy: -94.230 bonds (distance) P-C4' energy: -111.539 flat angles C4'-P-C4' energy: -126.846 flat angles P-C4'-P energy: -85.350 tors. eta vs tors. theta energy: -176.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1756.210755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.210755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.210755 (E_RNA) where: Base-Base interactions energy: -1173.774 where: short stacking energy: -549.461 Base-Backbone interact. energy: -2.643 local terms energy: -579.794070 where: bonds (distance) C4'-P energy: -100.034 bonds (distance) P-C4' energy: -105.720 flat angles C4'-P-C4' energy: -125.359 flat angles P-C4'-P energy: -80.073 tors. eta vs tors. theta energy: -168.607 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: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1705.932418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.932418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.932418 (E_RNA) where: Base-Base interactions energy: -1169.168 where: short stacking energy: -495.921 Base-Backbone interact. energy: 6.224 local terms energy: -542.988315 where: bonds (distance) C4'-P energy: -99.921 bonds (distance) P-C4' energy: -103.077 flat angles C4'-P-C4' energy: -123.399 flat angles P-C4'-P energy: -81.072 tors. eta vs tors. theta energy: -135.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1605.052794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.052794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.052794 (E_RNA) where: Base-Base interactions energy: -1093.800 where: short stacking energy: -449.412 Base-Backbone interact. energy: -1.840 local terms energy: -509.412771 where: bonds (distance) C4'-P energy: -104.305 bonds (distance) P-C4' energy: -99.218 flat angles C4'-P-C4' energy: -102.733 flat angles P-C4'-P energy: -82.386 tors. eta vs tors. theta energy: -120.770 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: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1512.076275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.076275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.076275 (E_RNA) where: Base-Base interactions energy: -1025.876 where: short stacking energy: -429.652 Base-Backbone interact. energy: 0.249 local terms energy: -486.449647 where: bonds (distance) C4'-P energy: -102.778 bonds (distance) P-C4' energy: -103.504 flat angles C4'-P-C4' energy: -105.055 flat angles P-C4'-P energy: -64.890 tors. eta vs tors. theta energy: -110.222 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: 366 Temperature: 1.200000 Total energy: -1355.760523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.760523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.760523 (E_RNA) where: Base-Base interactions energy: -909.578 where: short stacking energy: -412.113 Base-Backbone interact. energy: 2.408 local terms energy: -448.591148 where: bonds (distance) C4'-P energy: -91.084 bonds (distance) P-C4' energy: -100.964 flat angles C4'-P-C4' energy: -97.844 flat angles P-C4'-P energy: -54.550 tors. eta vs tors. theta energy: -104.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1263.712237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.712237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.712237 (E_RNA) where: Base-Base interactions energy: -847.972 where: short stacking energy: -374.648 Base-Backbone interact. energy: -1.095 local terms energy: -414.644655 where: bonds (distance) C4'-P energy: -91.452 bonds (distance) P-C4' energy: -94.240 flat angles C4'-P-C4' energy: -90.530 flat angles P-C4'-P energy: -56.622 tors. eta vs tors. theta energy: -81.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -766.270372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.270372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.270372 (E_RNA) where: Base-Base interactions energy: -453.164 where: short stacking energy: -230.422 Base-Backbone interact. energy: 9.879 local terms energy: -322.984910 where: bonds (distance) C4'-P energy: -91.145 bonds (distance) P-C4' energy: -80.558 flat angles C4'-P-C4' energy: -88.528 flat angles P-C4'-P energy: -46.536 tors. eta vs tors. theta energy: -16.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -486.733319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.733319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.733319 (E_RNA) where: Base-Base interactions energy: -193.946 where: short stacking energy: -103.382 Base-Backbone interact. energy: -1.565 local terms energy: -291.221950 where: bonds (distance) C4'-P energy: -94.349 bonds (distance) P-C4' energy: -85.228 flat angles C4'-P-C4' energy: -83.523 flat angles P-C4'-P energy: -38.210 tors. eta vs tors. theta energy: 10.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1942.008076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.008076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.008076 (E_RNA) where: Base-Base interactions energy: -1343.754 where: short stacking energy: -585.786 Base-Backbone interact. energy: -2.197 local terms energy: -596.056777 where: bonds (distance) C4'-P energy: -92.503 bonds (distance) P-C4' energy: -110.212 flat angles C4'-P-C4' energy: -120.133 flat angles P-C4'-P energy: -95.805 tors. eta vs tors. theta energy: -177.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1828.687342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.687342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.687342 (E_RNA) where: Base-Base interactions energy: -1251.765 where: short stacking energy: -553.772 Base-Backbone interact. energy: -0.452 local terms energy: -576.470051 where: bonds (distance) C4'-P energy: -96.405 bonds (distance) P-C4' energy: -116.865 flat angles C4'-P-C4' energy: -119.440 flat angles P-C4'-P energy: -67.293 tors. eta vs tors. theta energy: -176.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1708.414840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.414840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.414840 (E_RNA) where: Base-Base interactions energy: -1149.305 where: short stacking energy: -502.992 Base-Backbone interact. energy: -0.902 local terms energy: -558.208523 where: bonds (distance) C4'-P energy: -98.726 bonds (distance) P-C4' energy: -97.194 flat angles C4'-P-C4' energy: -128.991 flat angles P-C4'-P energy: -92.771 tors. eta vs tors. theta energy: -140.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1722.893905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.893905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.893905 (E_RNA) where: Base-Base interactions energy: -1175.175 where: short stacking energy: -493.012 Base-Backbone interact. energy: -2.229 local terms energy: -545.489232 where: bonds (distance) C4'-P energy: -101.332 bonds (distance) P-C4' energy: -103.257 flat angles C4'-P-C4' energy: -118.312 flat angles P-C4'-P energy: -79.912 tors. eta vs tors. theta energy: -142.676 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: 10 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1594.208354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.208354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.208354 (E_RNA) where: Base-Base interactions energy: -1087.659 where: short stacking energy: -436.429 Base-Backbone interact. energy: -0.271 local terms energy: -506.278279 where: bonds (distance) C4'-P energy: -104.174 bonds (distance) P-C4' energy: -101.597 flat angles C4'-P-C4' energy: -100.198 flat angles P-C4'-P energy: -76.529 tors. eta vs tors. theta energy: -123.781 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: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1533.396145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.396145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.396145 (E_RNA) where: Base-Base interactions energy: -1060.710 where: short stacking energy: -454.135 Base-Backbone interact. energy: -0.087 local terms energy: -472.598312 where: bonds (distance) C4'-P energy: -95.291 bonds (distance) P-C4' energy: -79.813 flat angles C4'-P-C4' energy: -112.291 flat angles P-C4'-P energy: -65.936 tors. eta vs tors. theta energy: -119.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1373.929212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.929212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.929212 (E_RNA) where: Base-Base interactions energy: -929.085 where: short stacking energy: -394.328 Base-Backbone interact. energy: -3.757 local terms energy: -441.087734 where: bonds (distance) C4'-P energy: -92.278 bonds (distance) P-C4' energy: -106.403 flat angles C4'-P-C4' energy: -88.954 flat angles P-C4'-P energy: -54.457 tors. eta vs tors. theta energy: -98.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1284.658908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.658908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.658908 (E_RNA) where: Base-Base interactions energy: -866.487 where: short stacking energy: -372.864 Base-Backbone interact. energy: -1.671 local terms energy: -416.500747 where: bonds (distance) C4'-P energy: -86.258 bonds (distance) P-C4' energy: -102.422 flat angles C4'-P-C4' energy: -85.578 flat angles P-C4'-P energy: -66.163 tors. eta vs tors. theta energy: -76.080 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: 9 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -769.252242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.252242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.252242 (E_RNA) where: Base-Base interactions energy: -417.938 where: short stacking energy: -192.997 Base-Backbone interact. energy: -1.677 local terms energy: -349.637603 where: bonds (distance) C4'-P energy: -93.059 bonds (distance) P-C4' energy: -98.048 flat angles C4'-P-C4' energy: -75.010 flat angles P-C4'-P energy: -48.616 tors. eta vs tors. theta energy: -34.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -497.026942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.026942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.026942 (E_RNA) where: Base-Base interactions energy: -214.750 where: short stacking energy: -136.857 Base-Backbone interact. energy: -2.342 local terms energy: -279.935294 where: bonds (distance) C4'-P energy: -82.281 bonds (distance) P-C4' energy: -97.133 flat angles C4'-P-C4' energy: -75.135 flat angles P-C4'-P energy: -37.615 tors. eta vs tors. theta energy: 12.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1947.132937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.132937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.132937 (E_RNA) where: Base-Base interactions energy: -1353.311 where: short stacking energy: -590.807 Base-Backbone interact. energy: -4.478 local terms energy: -589.343698 where: bonds (distance) C4'-P energy: -99.080 bonds (distance) P-C4' energy: -101.812 flat angles C4'-P-C4' energy: -128.090 flat angles P-C4'-P energy: -82.322 tors. eta vs tors. theta energy: -178.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1843.367350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.367350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.367350 (E_RNA) where: Base-Base interactions energy: -1240.359 where: short stacking energy: -541.076 Base-Backbone interact. energy: -0.495 local terms energy: -602.513208 where: bonds (distance) C4'-P energy: -107.066 bonds (distance) P-C4' energy: -120.194 flat angles C4'-P-C4' energy: -114.809 flat angles P-C4'-P energy: -90.066 tors. eta vs tors. theta energy: -170.378 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: 3 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1718.949866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.949866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.949866 (E_RNA) where: Base-Base interactions energy: -1176.892 where: short stacking energy: -514.512 Base-Backbone interact. energy: -2.612 local terms energy: -539.445245 where: bonds (distance) C4'-P energy: -104.498 bonds (distance) P-C4' energy: -89.019 flat angles C4'-P-C4' energy: -120.560 flat angles P-C4'-P energy: -77.152 tors. eta vs tors. theta energy: -148.217 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: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1727.313450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.313450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.313450 (E_RNA) where: Base-Base interactions energy: -1193.237 where: short stacking energy: -511.214 Base-Backbone interact. energy: -1.791 local terms energy: -532.285225 where: bonds (distance) C4'-P energy: -104.901 bonds (distance) P-C4' energy: -88.128 flat angles C4'-P-C4' energy: -117.114 flat angles P-C4'-P energy: -79.025 tors. eta vs tors. theta energy: -143.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1583.098676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.098676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.098676 (E_RNA) where: Base-Base interactions energy: -1069.237 where: short stacking energy: -424.814 Base-Backbone interact. energy: -3.449 local terms energy: -510.411999 where: bonds (distance) C4'-P energy: -111.086 bonds (distance) P-C4' energy: -102.815 flat angles C4'-P-C4' energy: -109.187 flat angles P-C4'-P energy: -75.422 tors. eta vs tors. theta energy: -111.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1522.763915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.763915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.763915 (E_RNA) where: Base-Base interactions energy: -1047.976 where: short stacking energy: -421.168 Base-Backbone interact. energy: -1.985 local terms energy: -472.802320 where: bonds (distance) C4'-P energy: -82.750 bonds (distance) P-C4' energy: -91.381 flat angles C4'-P-C4' energy: -109.503 flat angles P-C4'-P energy: -74.239 tors. eta vs tors. theta energy: -114.930 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: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1417.989637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.989637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.989637 (E_RNA) where: Base-Base interactions energy: -986.340 where: short stacking energy: -414.212 Base-Backbone interact. energy: 1.739 local terms energy: -433.387783 where: bonds (distance) C4'-P energy: -72.821 bonds (distance) P-C4' energy: -97.311 flat angles C4'-P-C4' energy: -84.308 flat angles P-C4'-P energy: -74.466 tors. eta vs tors. theta energy: -104.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1240.573979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.573979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.573979 (E_RNA) where: Base-Base interactions energy: -821.062 where: short stacking energy: -361.322 Base-Backbone interact. energy: -1.670 local terms energy: -417.842383 where: bonds (distance) C4'-P energy: -75.868 bonds (distance) P-C4' energy: -97.892 flat angles C4'-P-C4' energy: -103.919 flat angles P-C4'-P energy: -50.327 tors. eta vs tors. theta energy: -89.836 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: 368 Temperature: 1.300000 Total energy: -748.273342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.273342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.273342 (E_RNA) where: Base-Base interactions energy: -446.563 where: short stacking energy: -217.245 Base-Backbone interact. energy: -0.169 local terms energy: -301.541746 where: bonds (distance) C4'-P energy: -78.109 bonds (distance) P-C4' energy: -99.459 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -37.207 tors. eta vs tors. theta energy: -15.052 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: 10, replica: 8 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -547.228003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.228003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.228003 (E_RNA) where: Base-Base interactions energy: -262.017 where: short stacking energy: -167.534 Base-Backbone interact. energy: 0.254 local terms energy: -285.464084 where: bonds (distance) C4'-P energy: -76.406 bonds (distance) P-C4' energy: -81.831 flat angles C4'-P-C4' energy: -84.131 flat angles P-C4'-P energy: -42.327 tors. eta vs tors. theta energy: -0.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1938.908507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.908507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.908507 (E_RNA) where: Base-Base interactions energy: -1329.292 where: short stacking energy: -577.018 Base-Backbone interact. energy: -2.000 local terms energy: -607.615743 where: bonds (distance) C4'-P energy: -96.881 bonds (distance) P-C4' energy: -108.818 flat angles C4'-P-C4' energy: -131.522 flat angles P-C4'-P energy: -87.109 tors. eta vs tors. theta energy: -183.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1844.751423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.751423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.751423 (E_RNA) where: Base-Base interactions energy: -1243.217 where: short stacking energy: -537.912 Base-Backbone interact. energy: -2.506 local terms energy: -599.027766 where: bonds (distance) C4'-P energy: -104.792 bonds (distance) P-C4' energy: -117.241 flat angles C4'-P-C4' energy: -123.246 flat angles P-C4'-P energy: -83.444 tors. eta vs tors. theta energy: -170.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1738.375654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.375654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.375654 (E_RNA) where: Base-Base interactions energy: -1163.099 where: short stacking energy: -509.388 Base-Backbone interact. energy: -3.126 local terms energy: -572.150972 where: bonds (distance) C4'-P energy: -101.333 bonds (distance) P-C4' energy: -103.016 flat angles C4'-P-C4' energy: -127.964 flat angles P-C4'-P energy: -88.924 tors. eta vs tors. theta energy: -150.913 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: 369 Temperature: 1.050000 Total energy: -1692.337240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.337240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.337240 (E_RNA) where: Base-Base interactions energy: -1133.284 where: short stacking energy: -489.723 Base-Backbone interact. energy: 0.551 local terms energy: -559.604704 where: bonds (distance) C4'-P energy: -98.286 bonds (distance) P-C4' energy: -103.880 flat angles C4'-P-C4' energy: -123.639 flat angles P-C4'-P energy: -82.845 tors. eta vs tors. theta energy: -150.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1580.219631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.219631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.219631 (E_RNA) where: Base-Base interactions energy: -1078.193 where: short stacking energy: -443.831 Base-Backbone interact. energy: -1.300 local terms energy: -500.726650 where: bonds (distance) C4'-P energy: -95.908 bonds (distance) P-C4' energy: -110.907 flat angles C4'-P-C4' energy: -97.359 flat angles P-C4'-P energy: -82.120 tors. eta vs tors. theta energy: -114.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1507.630355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.630355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.630355 (E_RNA) where: Base-Base interactions energy: -1047.262 where: short stacking energy: -448.347 Base-Backbone interact. energy: -2.194 local terms energy: -458.174029 where: bonds (distance) C4'-P energy: -75.607 bonds (distance) P-C4' energy: -77.264 flat angles C4'-P-C4' energy: -108.974 flat angles P-C4'-P energy: -77.831 tors. eta vs tors. theta energy: -118.499 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: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1357.139864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.139864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.139864 (E_RNA) where: Base-Base interactions energy: -930.445 where: short stacking energy: -366.400 Base-Backbone interact. energy: -2.113 local terms energy: -424.581868 where: bonds (distance) C4'-P energy: -88.424 bonds (distance) P-C4' energy: -94.673 flat angles C4'-P-C4' energy: -92.553 flat angles P-C4'-P energy: -65.365 tors. eta vs tors. theta energy: -83.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1311.493629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.493629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.493629 (E_RNA) where: Base-Base interactions energy: -907.294 where: short stacking energy: -383.343 Base-Backbone interact. energy: 0.723 local terms energy: -404.922652 where: bonds (distance) C4'-P energy: -79.042 bonds (distance) P-C4' energy: -105.350 flat angles C4'-P-C4' energy: -86.963 flat angles P-C4'-P energy: -42.568 tors. eta vs tors. theta energy: -91.000 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: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -742.569883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.569883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.569883 (E_RNA) where: Base-Base interactions energy: -421.585 where: short stacking energy: -202.539 Base-Backbone interact. energy: 0.304 local terms energy: -321.289327 where: bonds (distance) C4'-P energy: -84.421 bonds (distance) P-C4' energy: -84.777 flat angles C4'-P-C4' energy: -74.758 flat angles P-C4'-P energy: -48.883 tors. eta vs tors. theta energy: -28.451 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: 8 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -543.562135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.562135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.562135 (E_RNA) where: Base-Base interactions energy: -245.279 where: short stacking energy: -155.747 Base-Backbone interact. energy: 1.912 local terms energy: -300.195388 where: bonds (distance) C4'-P energy: -81.887 bonds (distance) P-C4' energy: -106.778 flat angles C4'-P-C4' energy: -68.289 flat angles P-C4'-P energy: -43.391 tors. eta vs tors. theta energy: 0.148 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: 7 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1958.506502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.506502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.506502 (E_RNA) where: Base-Base interactions energy: -1342.657 where: short stacking energy: -590.602 Base-Backbone interact. energy: 1.509 local terms energy: -617.358402 where: bonds (distance) C4'-P energy: -114.791 bonds (distance) P-C4' energy: -114.226 flat angles C4'-P-C4' energy: -122.699 flat angles P-C4'-P energy: -86.970 tors. eta vs tors. theta energy: -178.672 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: 2, replica: 5 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1849.399739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.399739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.399739 (E_RNA) where: Base-Base interactions energy: -1280.910 where: short stacking energy: -563.691 Base-Backbone interact. energy: -3.095 local terms energy: -565.394616 where: bonds (distance) C4'-P energy: -99.894 bonds (distance) P-C4' energy: -100.664 flat angles C4'-P-C4' energy: -119.337 flat angles P-C4'-P energy: -80.566 tors. eta vs tors. theta energy: -164.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1743.954855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.954855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.954855 (E_RNA) where: Base-Base interactions energy: -1203.032 where: short stacking energy: -515.890 Base-Backbone interact. energy: -3.159 local terms energy: -537.763723 where: bonds (distance) C4'-P energy: -103.798 bonds (distance) P-C4' energy: -99.539 flat angles C4'-P-C4' energy: -110.221 flat angles P-C4'-P energy: -73.243 tors. eta vs tors. theta energy: -150.963 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: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1659.851424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.851424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.851424 (E_RNA) where: Base-Base interactions energy: -1131.748 where: short stacking energy: -488.550 Base-Backbone interact. energy: -2.517 local terms energy: -525.586011 where: bonds (distance) C4'-P energy: -90.363 bonds (distance) P-C4' energy: -104.581 flat angles C4'-P-C4' energy: -111.385 flat angles P-C4'-P energy: -71.623 tors. eta vs tors. theta energy: -147.633 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: 10 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1598.896150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.896150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.896150 (E_RNA) where: Base-Base interactions energy: -1102.739 where: short stacking energy: -450.525 Base-Backbone interact. energy: -3.595 local terms energy: -492.562422 where: bonds (distance) C4'-P energy: -87.954 bonds (distance) P-C4' energy: -108.271 flat angles C4'-P-C4' energy: -108.795 flat angles P-C4'-P energy: -66.600 tors. eta vs tors. theta energy: -120.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1521.547089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.547089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.547089 (E_RNA) where: Base-Base interactions energy: -1043.232 where: short stacking energy: -456.698 Base-Backbone interact. energy: -0.790 local terms energy: -477.525545 where: bonds (distance) C4'-P energy: -100.744 bonds (distance) P-C4' energy: -95.444 flat angles C4'-P-C4' energy: -105.422 flat angles P-C4'-P energy: -56.394 tors. eta vs tors. theta energy: -119.522 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: 7, replica: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1327.910348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.910348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.910348 (E_RNA) where: Base-Base interactions energy: -888.214 where: short stacking energy: -394.750 Base-Backbone interact. energy: 1.432 local terms energy: -441.129211 where: bonds (distance) C4'-P energy: -86.376 bonds (distance) P-C4' energy: -88.854 flat angles C4'-P-C4' energy: -107.973 flat angles P-C4'-P energy: -64.162 tors. eta vs tors. theta energy: -93.765 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: 370 Temperature: 1.250000 Total energy: -1266.013768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.013768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.013768 (E_RNA) where: Base-Base interactions energy: -850.463 where: short stacking energy: -336.967 Base-Backbone interact. energy: -3.688 local terms energy: -411.862520 where: bonds (distance) C4'-P energy: -88.425 bonds (distance) P-C4' energy: -95.009 flat angles C4'-P-C4' energy: -87.249 flat angles P-C4'-P energy: -59.627 tors. eta vs tors. theta energy: -81.553 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: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -772.574352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.574352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.574352 (E_RNA) where: Base-Base interactions energy: -447.673 where: short stacking energy: -235.874 Base-Backbone interact. energy: 1.537 local terms energy: -326.437922 where: bonds (distance) C4'-P energy: -74.424 bonds (distance) P-C4' energy: -111.131 flat angles C4'-P-C4' energy: -90.968 flat angles P-C4'-P energy: -36.739 tors. eta vs tors. theta energy: -13.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -513.157764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.157764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.157764 (E_RNA) where: Base-Base interactions energy: -217.164 where: short stacking energy: -125.778 Base-Backbone interact. energy: 0.285 local terms energy: -296.279421 where: bonds (distance) C4'-P energy: -95.696 bonds (distance) P-C4' energy: -108.156 flat angles C4'-P-C4' energy: -65.307 flat angles P-C4'-P energy: -34.700 tors. eta vs tors. theta energy: 7.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1948.860064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.860064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.860064 (E_RNA) where: Base-Base interactions energy: -1337.456 where: short stacking energy: -583.666 Base-Backbone interact. energy: -1.972 local terms energy: -609.431896 where: bonds (distance) C4'-P energy: -109.513 bonds (distance) P-C4' energy: -107.568 flat angles C4'-P-C4' energy: -132.494 flat angles P-C4'-P energy: -91.430 tors. eta vs tors. theta energy: -168.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1854.864250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.864250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.864250 (E_RNA) where: Base-Base interactions energy: -1300.090 where: short stacking energy: -544.503 Base-Backbone interact. energy: -0.635 local terms energy: -554.139363 where: bonds (distance) C4'-P energy: -87.435 bonds (distance) P-C4' energy: -111.097 flat angles C4'-P-C4' energy: -116.491 flat angles P-C4'-P energy: -72.704 tors. eta vs tors. theta energy: -166.412 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: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1703.878723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.878723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.878723 (E_RNA) where: Base-Base interactions energy: -1147.280 where: short stacking energy: -517.660 Base-Backbone interact. energy: -2.308 local terms energy: -554.290082 where: bonds (distance) C4'-P energy: -98.315 bonds (distance) P-C4' energy: -106.729 flat angles C4'-P-C4' energy: -126.238 flat angles P-C4'-P energy: -74.297 tors. eta vs tors. theta energy: -148.711 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: 4 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1640.244381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.244381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.244381 (E_RNA) where: Base-Base interactions energy: -1112.121 where: short stacking energy: -482.783 Base-Backbone interact. energy: -0.268 local terms energy: -527.855297 where: bonds (distance) C4'-P energy: -94.636 bonds (distance) P-C4' energy: -107.626 flat angles C4'-P-C4' energy: -117.132 flat angles P-C4'-P energy: -75.526 tors. eta vs tors. theta energy: -132.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1586.877724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.877724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.877724 (E_RNA) where: Base-Base interactions energy: -1080.231 where: short stacking energy: -447.802 Base-Backbone interact. energy: 0.010 local terms energy: -506.656232 where: bonds (distance) C4'-P energy: -108.589 bonds (distance) P-C4' energy: -97.610 flat angles C4'-P-C4' energy: -101.954 flat angles P-C4'-P energy: -69.190 tors. eta vs tors. theta energy: -129.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1490.671105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.671105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.671105 (E_RNA) where: Base-Base interactions energy: -1011.291 where: short stacking energy: -429.937 Base-Backbone interact. energy: 1.839 local terms energy: -481.219064 where: bonds (distance) C4'-P energy: -77.863 bonds (distance) P-C4' energy: -98.023 flat angles C4'-P-C4' energy: -104.652 flat angles P-C4'-P energy: -81.539 tors. eta vs tors. theta energy: -119.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1344.284239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.284239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.284239 (E_RNA) where: Base-Base interactions energy: -875.814 where: short stacking energy: -373.746 Base-Backbone interact. energy: 0.926 local terms energy: -469.395919 where: bonds (distance) C4'-P energy: -92.065 bonds (distance) P-C4' energy: -96.685 flat angles C4'-P-C4' energy: -106.585 flat angles P-C4'-P energy: -70.351 tors. eta vs tors. theta energy: -103.709 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: 371 Temperature: 1.250000 Total energy: -1237.662711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.662711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.662711 (E_RNA) where: Base-Base interactions energy: -855.448 where: short stacking energy: -359.413 Base-Backbone interact. energy: 3.168 local terms energy: -385.382673 where: bonds (distance) C4'-P energy: -72.398 bonds (distance) P-C4' energy: -98.802 flat angles C4'-P-C4' energy: -97.537 flat angles P-C4'-P energy: -42.473 tors. eta vs tors. theta energy: -74.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -806.160673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.160673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.160673 (E_RNA) where: Base-Base interactions energy: -475.506 where: short stacking energy: -235.846 Base-Backbone interact. energy: -2.427 local terms energy: -328.227778 where: bonds (distance) C4'-P energy: -69.101 bonds (distance) P-C4' energy: -89.019 flat angles C4'-P-C4' energy: -86.396 flat angles P-C4'-P energy: -42.739 tors. eta vs tors. theta energy: -40.972 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: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -492.384692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.384692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.384692 (E_RNA) where: Base-Base interactions energy: -217.134 where: short stacking energy: -149.812 Base-Backbone interact. energy: 3.872 local terms energy: -279.122277 where: bonds (distance) C4'-P energy: -67.500 bonds (distance) P-C4' energy: -101.098 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -53.513 tors. eta vs tors. theta energy: 18.873 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: 5 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1920.971578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.971578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.971578 (E_RNA) where: Base-Base interactions energy: -1310.312 where: short stacking energy: -589.675 Base-Backbone interact. energy: -6.410 local terms energy: -604.249707 where: bonds (distance) C4'-P energy: -109.446 bonds (distance) P-C4' energy: -102.992 flat angles C4'-P-C4' energy: -121.754 flat angles P-C4'-P energy: -82.998 tors. eta vs tors. theta energy: -187.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1919.853746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.853746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.853746 (E_RNA) where: Base-Base interactions energy: -1319.297 where: short stacking energy: -578.663 Base-Backbone interact. energy: 2.154 local terms energy: -602.710269 where: bonds (distance) C4'-P energy: -101.762 bonds (distance) P-C4' energy: -120.466 flat angles C4'-P-C4' energy: -118.029 flat angles P-C4'-P energy: -86.912 tors. eta vs tors. theta energy: -175.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1729.018817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.018817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.018817 (E_RNA) where: Base-Base interactions energy: -1161.843 where: short stacking energy: -499.936 Base-Backbone interact. energy: -2.780 local terms energy: -564.395835 where: bonds (distance) C4'-P energy: -106.629 bonds (distance) P-C4' energy: -115.051 flat angles C4'-P-C4' energy: -116.327 flat angles P-C4'-P energy: -69.265 tors. eta vs tors. theta energy: -157.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1636.628474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.628474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.628474 (E_RNA) where: Base-Base interactions energy: -1119.180 where: short stacking energy: -481.301 Base-Backbone interact. energy: 1.058 local terms energy: -518.506318 where: bonds (distance) C4'-P energy: -103.992 bonds (distance) P-C4' energy: -95.303 flat angles C4'-P-C4' energy: -112.182 flat angles P-C4'-P energy: -67.189 tors. eta vs tors. theta energy: -139.840 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: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1545.427212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.427212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.427212 (E_RNA) where: Base-Base interactions energy: -1048.818 where: short stacking energy: -448.027 Base-Backbone interact. energy: 1.553 local terms energy: -498.162342 where: bonds (distance) C4'-P energy: -100.853 bonds (distance) P-C4' energy: -100.419 flat angles C4'-P-C4' energy: -103.758 flat angles P-C4'-P energy: -69.939 tors. eta vs tors. theta energy: -123.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1500.817799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.817799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.817799 (E_RNA) where: Base-Base interactions energy: -1000.768 where: short stacking energy: -433.107 Base-Backbone interact. energy: -2.308 local terms energy: -497.742065 where: bonds (distance) C4'-P energy: -96.467 bonds (distance) P-C4' energy: -98.488 flat angles C4'-P-C4' energy: -105.933 flat angles P-C4'-P energy: -74.864 tors. eta vs tors. theta energy: -121.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1374.443561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.443561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.443561 (E_RNA) where: Base-Base interactions energy: -933.912 where: short stacking energy: -404.519 Base-Backbone interact. energy: -1.154 local terms energy: -439.377841 where: bonds (distance) C4'-P energy: -69.812 bonds (distance) P-C4' energy: -83.068 flat angles C4'-P-C4' energy: -110.366 flat angles P-C4'-P energy: -67.158 tors. eta vs tors. theta energy: -108.974 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: 8, replica: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1275.521409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.521409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.521409 (E_RNA) where: Base-Base interactions energy: -843.166 where: short stacking energy: -332.417 Base-Backbone interact. energy: -2.820 local terms energy: -429.535353 where: bonds (distance) C4'-P energy: -92.783 bonds (distance) P-C4' energy: -98.410 flat angles C4'-P-C4' energy: -108.540 flat angles P-C4'-P energy: -53.956 tors. eta vs tors. theta energy: -75.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -719.471583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.471583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.471583 (E_RNA) where: Base-Base interactions energy: -418.365 where: short stacking energy: -206.598 Base-Backbone interact. energy: -2.505 local terms energy: -298.601288 where: bonds (distance) C4'-P energy: -83.435 bonds (distance) P-C4' energy: -82.573 flat angles C4'-P-C4' energy: -84.712 flat angles P-C4'-P energy: -35.051 tors. eta vs tors. theta energy: -12.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -542.365950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.365950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.365950 (E_RNA) where: Base-Base interactions energy: -226.796 where: short stacking energy: -171.948 Base-Backbone interact. energy: 1.815 local terms energy: -317.384466 where: bonds (distance) C4'-P energy: -96.906 bonds (distance) P-C4' energy: -93.855 flat angles C4'-P-C4' energy: -75.876 flat angles P-C4'-P energy: -32.666 tors. eta vs tors. theta energy: -18.081 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: 1, replica: 5 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1938.220167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.220167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.220167 (E_RNA) where: Base-Base interactions energy: -1330.602 where: short stacking energy: -581.691 Base-Backbone interact. energy: -2.950 local terms energy: -604.668994 where: bonds (distance) C4'-P energy: -104.570 bonds (distance) P-C4' energy: -107.849 flat angles C4'-P-C4' energy: -123.270 flat angles P-C4'-P energy: -92.209 tors. eta vs tors. theta energy: -176.771 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: 7 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1897.621824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.621824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.621824 (E_RNA) where: Base-Base interactions energy: -1317.326 where: short stacking energy: -575.629 Base-Backbone interact. energy: 1.806 local terms energy: -582.101624 where: bonds (distance) C4'-P energy: -99.912 bonds (distance) P-C4' energy: -109.591 flat angles C4'-P-C4' energy: -128.987 flat angles P-C4'-P energy: -73.148 tors. eta vs tors. theta energy: -170.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1711.347789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.347789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.347789 (E_RNA) where: Base-Base interactions energy: -1167.861 where: short stacking energy: -487.289 Base-Backbone interact. energy: -4.531 local terms energy: -538.955929 where: bonds (distance) C4'-P energy: -106.585 bonds (distance) P-C4' energy: -107.540 flat angles C4'-P-C4' energy: -105.236 flat angles P-C4'-P energy: -73.997 tors. eta vs tors. theta energy: -145.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1643.832232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.832232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.832232 (E_RNA) where: Base-Base interactions energy: -1129.246 where: short stacking energy: -487.451 Base-Backbone interact. energy: -0.564 local terms energy: -514.021736 where: bonds (distance) C4'-P energy: -93.050 bonds (distance) P-C4' energy: -100.203 flat angles C4'-P-C4' energy: -119.491 flat angles P-C4'-P energy: -71.971 tors. eta vs tors. theta energy: -129.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1529.624000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.624000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.624000 (E_RNA) where: Base-Base interactions energy: -1072.361 where: short stacking energy: -460.587 Base-Backbone interact. energy: -1.814 local terms energy: -455.448730 where: bonds (distance) C4'-P energy: -94.011 bonds (distance) P-C4' energy: -93.430 flat angles C4'-P-C4' energy: -89.327 flat angles P-C4'-P energy: -59.960 tors. eta vs tors. theta energy: -118.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1500.568376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.568376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.568376 (E_RNA) where: Base-Base interactions energy: -1002.574 where: short stacking energy: -430.723 Base-Backbone interact. energy: -1.524 local terms energy: -496.470449 where: bonds (distance) C4'-P energy: -73.904 bonds (distance) P-C4' energy: -118.124 flat angles C4'-P-C4' energy: -107.092 flat angles P-C4'-P energy: -75.188 tors. eta vs tors. theta energy: -122.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1372.582007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.582007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.582007 (E_RNA) where: Base-Base interactions energy: -911.445 where: short stacking energy: -394.544 Base-Backbone interact. energy: -2.995 local terms energy: -458.142241 where: bonds (distance) C4'-P energy: -96.934 bonds (distance) P-C4' energy: -95.387 flat angles C4'-P-C4' energy: -101.001 flat angles P-C4'-P energy: -63.432 tors. eta vs tors. theta energy: -101.389 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: 373 Temperature: 1.250000 Total energy: -1261.063184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.063184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.063184 (E_RNA) where: Base-Base interactions energy: -853.887 where: short stacking energy: -353.113 Base-Backbone interact. energy: -0.634 local terms energy: -406.542514 where: bonds (distance) C4'-P energy: -87.383 bonds (distance) P-C4' energy: -103.305 flat angles C4'-P-C4' energy: -94.871 flat angles P-C4'-P energy: -48.788 tors. eta vs tors. theta energy: -72.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -733.138540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.138540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.138540 (E_RNA) where: Base-Base interactions energy: -429.817 where: short stacking energy: -219.008 Base-Backbone interact. energy: -1.039 local terms energy: -302.282896 where: bonds (distance) C4'-P energy: -71.673 bonds (distance) P-C4' energy: -86.859 flat angles C4'-P-C4' energy: -75.052 flat angles P-C4'-P energy: -51.693 tors. eta vs tors. theta energy: -17.006 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: 10, replica: 8 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -558.538919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.538919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.538919 (E_RNA) where: Base-Base interactions energy: -244.519 where: short stacking energy: -155.252 Base-Backbone interact. energy: 5.055 local terms energy: -319.074423 where: bonds (distance) C4'-P energy: -100.158 bonds (distance) P-C4' energy: -82.200 flat angles C4'-P-C4' energy: -83.939 flat angles P-C4'-P energy: -58.731 tors. eta vs tors. theta energy: 5.954 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: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1921.163692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.163692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.163692 (E_RNA) where: Base-Base interactions energy: -1320.975 where: short stacking energy: -581.098 Base-Backbone interact. energy: -3.497 local terms energy: -596.691897 where: bonds (distance) C4'-P energy: -108.257 bonds (distance) P-C4' energy: -107.418 flat angles C4'-P-C4' energy: -121.689 flat angles P-C4'-P energy: -74.423 tors. eta vs tors. theta energy: -184.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1905.161431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.161431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.161431 (E_RNA) where: Base-Base interactions energy: -1320.533 where: short stacking energy: -560.498 Base-Backbone interact. energy: -2.867 local terms energy: -581.761638 where: bonds (distance) C4'-P energy: -103.432 bonds (distance) P-C4' energy: -102.391 flat angles C4'-P-C4' energy: -111.011 flat angles P-C4'-P energy: -87.284 tors. eta vs tors. theta energy: -177.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1685.782295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.782295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.782295 (E_RNA) where: Base-Base interactions energy: -1120.893 where: short stacking energy: -496.667 Base-Backbone interact. energy: -1.900 local terms energy: -562.989322 where: bonds (distance) C4'-P energy: -108.498 bonds (distance) P-C4' energy: -113.130 flat angles C4'-P-C4' energy: -118.908 flat angles P-C4'-P energy: -81.350 tors. eta vs tors. theta energy: -141.104 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: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1619.216517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.216517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.216517 (E_RNA) where: Base-Base interactions energy: -1102.180 where: short stacking energy: -458.407 Base-Backbone interact. energy: -0.717 local terms energy: -516.319405 where: bonds (distance) C4'-P energy: -91.700 bonds (distance) P-C4' energy: -108.304 flat angles C4'-P-C4' energy: -111.645 flat angles P-C4'-P energy: -80.711 tors. eta vs tors. theta energy: -123.959 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: 10 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1563.416384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.416384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.416384 (E_RNA) where: Base-Base interactions energy: -1091.246 where: short stacking energy: -457.113 Base-Backbone interact. energy: -2.645 local terms energy: -469.525187 where: bonds (distance) C4'-P energy: -79.199 bonds (distance) P-C4' energy: -93.824 flat angles C4'-P-C4' energy: -105.466 flat angles P-C4'-P energy: -64.017 tors. eta vs tors. theta energy: -127.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1530.292074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.292074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.292074 (E_RNA) where: Base-Base interactions energy: -1042.998 where: short stacking energy: -440.294 Base-Backbone interact. energy: 0.891 local terms energy: -488.184778 where: bonds (distance) C4'-P energy: -76.446 bonds (distance) P-C4' energy: -102.298 flat angles C4'-P-C4' energy: -105.138 flat angles P-C4'-P energy: -74.512 tors. eta vs tors. theta energy: -129.790 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: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1345.716219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.716219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.716219 (E_RNA) where: Base-Base interactions energy: -897.442 where: short stacking energy: -399.045 Base-Backbone interact. energy: -2.562 local terms energy: -445.711762 where: bonds (distance) C4'-P energy: -89.999 bonds (distance) P-C4' energy: -87.505 flat angles C4'-P-C4' energy: -106.783 flat angles P-C4'-P energy: -82.788 tors. eta vs tors. theta energy: -78.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1273.517748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.517748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.517748 (E_RNA) where: Base-Base interactions energy: -848.022 where: short stacking energy: -353.096 Base-Backbone interact. energy: -0.729 local terms energy: -424.766771 where: bonds (distance) C4'-P energy: -92.607 bonds (distance) P-C4' energy: -104.582 flat angles C4'-P-C4' energy: -96.306 flat angles P-C4'-P energy: -59.486 tors. eta vs tors. theta energy: -71.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -789.279200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.279200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.279200 (E_RNA) where: Base-Base interactions energy: -444.880 where: short stacking energy: -221.289 Base-Backbone interact. energy: -0.875 local terms energy: -343.524069 where: bonds (distance) C4'-P energy: -80.880 bonds (distance) P-C4' energy: -101.468 flat angles C4'-P-C4' energy: -90.259 flat angles P-C4'-P energy: -54.898 tors. eta vs tors. theta energy: -16.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -480.539796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.539796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.539796 (E_RNA) where: Base-Base interactions energy: -187.833 where: short stacking energy: -132.329 Base-Backbone interact. energy: -1.219 local terms energy: -291.487496 where: bonds (distance) C4'-P energy: -83.363 bonds (distance) P-C4' energy: -92.570 flat angles C4'-P-C4' energy: -91.711 flat angles P-C4'-P energy: -35.910 tors. eta vs tors. theta energy: 12.066 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: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1919.412869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.412869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.412869 (E_RNA) where: Base-Base interactions energy: -1322.604 where: short stacking energy: -560.788 Base-Backbone interact. energy: -2.242 local terms energy: -594.566260 where: bonds (distance) C4'-P energy: -106.986 bonds (distance) P-C4' energy: -108.039 flat angles C4'-P-C4' energy: -124.719 flat angles P-C4'-P energy: -85.831 tors. eta vs tors. theta energy: -168.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1923.713794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.713794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.713794 (E_RNA) where: Base-Base interactions energy: -1311.705 where: short stacking energy: -568.144 Base-Backbone interact. energy: -0.927 local terms energy: -611.080893 where: bonds (distance) C4'-P energy: -104.400 bonds (distance) P-C4' energy: -112.960 flat angles C4'-P-C4' energy: -132.167 flat angles P-C4'-P energy: -93.270 tors. eta vs tors. theta energy: -168.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1718.473412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.473412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.473412 (E_RNA) where: Base-Base interactions energy: -1165.242 where: short stacking energy: -517.628 Base-Backbone interact. energy: -3.000 local terms energy: -550.231032 where: bonds (distance) C4'-P energy: -103.797 bonds (distance) P-C4' energy: -104.419 flat angles C4'-P-C4' energy: -115.702 flat angles P-C4'-P energy: -78.914 tors. eta vs tors. theta energy: -147.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1607.132763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.132763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.132763 (E_RNA) where: Base-Base interactions energy: -1074.377 where: short stacking energy: -468.213 Base-Backbone interact. energy: -1.187 local terms energy: -531.568504 where: bonds (distance) C4'-P energy: -103.876 bonds (distance) P-C4' energy: -106.648 flat angles C4'-P-C4' energy: -118.287 flat angles P-C4'-P energy: -71.094 tors. eta vs tors. theta energy: -131.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1579.791982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.791982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.791982 (E_RNA) where: Base-Base interactions energy: -1074.990 where: short stacking energy: -473.054 Base-Backbone interact. energy: -2.713 local terms energy: -502.089677 where: bonds (distance) C4'-P energy: -101.427 bonds (distance) P-C4' energy: -100.951 flat angles C4'-P-C4' energy: -100.768 flat angles P-C4'-P energy: -71.103 tors. eta vs tors. theta energy: -127.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1499.163157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.163157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.163157 (E_RNA) where: Base-Base interactions energy: -1024.252 where: short stacking energy: -454.917 Base-Backbone interact. energy: -1.170 local terms energy: -473.740711 where: bonds (distance) C4'-P energy: -79.745 bonds (distance) P-C4' energy: -116.201 flat angles C4'-P-C4' energy: -105.854 flat angles P-C4'-P energy: -59.848 tors. eta vs tors. theta energy: -112.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1381.636278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.636278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.636278 (E_RNA) where: Base-Base interactions energy: -911.707 where: short stacking energy: -416.251 Base-Backbone interact. energy: -4.756 local terms energy: -465.173667 where: bonds (distance) C4'-P energy: -92.273 bonds (distance) P-C4' energy: -103.839 flat angles C4'-P-C4' energy: -103.721 flat angles P-C4'-P energy: -58.525 tors. eta vs tors. theta energy: -106.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1258.825203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.825203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.825203 (E_RNA) where: Base-Base interactions energy: -840.916 where: short stacking energy: -350.746 Base-Backbone interact. energy: 1.821 local terms energy: -419.730189 where: bonds (distance) C4'-P energy: -83.188 bonds (distance) P-C4' energy: -90.246 flat angles C4'-P-C4' energy: -103.365 flat angles P-C4'-P energy: -61.148 tors. eta vs tors. theta energy: -81.783 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: 9, replica: 9 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -795.202460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.202460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.202460 (E_RNA) where: Base-Base interactions energy: -463.033 where: short stacking energy: -223.555 Base-Backbone interact. energy: 4.509 local terms energy: -336.678741 where: bonds (distance) C4'-P energy: -84.027 bonds (distance) P-C4' energy: -91.166 flat angles C4'-P-C4' energy: -62.762 flat angles P-C4'-P energy: -57.386 tors. eta vs tors. theta energy: -41.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -471.925166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.925166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.925166 (E_RNA) where: Base-Base interactions energy: -206.488 where: short stacking energy: -134.207 Base-Backbone interact. energy: 5.289 local terms energy: -270.726155 where: bonds (distance) C4'-P energy: -88.951 bonds (distance) P-C4' energy: -90.461 flat angles C4'-P-C4' energy: -84.813 flat angles P-C4'-P energy: -21.125 tors. eta vs tors. theta energy: 14.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1953.759602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.759602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.759602 (E_RNA) where: Base-Base interactions energy: -1351.149 where: short stacking energy: -576.147 Base-Backbone interact. energy: -3.763 local terms energy: -598.847749 where: bonds (distance) C4'-P energy: -113.819 bonds (distance) P-C4' energy: -102.714 flat angles C4'-P-C4' energy: -127.111 flat angles P-C4'-P energy: -79.393 tors. eta vs tors. theta energy: -175.810 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: 7 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1889.402617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.402617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.402617 (E_RNA) where: Base-Base interactions energy: -1296.369 where: short stacking energy: -551.567 Base-Backbone interact. energy: -2.063 local terms energy: -590.970557 where: bonds (distance) C4'-P energy: -112.290 bonds (distance) P-C4' energy: -96.481 flat angles C4'-P-C4' energy: -121.185 flat angles P-C4'-P energy: -89.331 tors. eta vs tors. theta energy: -171.684 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: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1723.965207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.965207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.965207 (E_RNA) where: Base-Base interactions energy: -1180.620 where: short stacking energy: -522.778 Base-Backbone interact. energy: 0.598 local terms energy: -543.943131 where: bonds (distance) C4'-P energy: -84.706 bonds (distance) P-C4' energy: -113.284 flat angles C4'-P-C4' energy: -124.295 flat angles P-C4'-P energy: -73.089 tors. eta vs tors. theta energy: -148.570 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: 4, replica: 4 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1619.285627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.285627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.285627 (E_RNA) where: Base-Base interactions energy: -1089.738 where: short stacking energy: -465.454 Base-Backbone interact. energy: -2.846 local terms energy: -526.701754 where: bonds (distance) C4'-P energy: -101.068 bonds (distance) P-C4' energy: -94.796 flat angles C4'-P-C4' energy: -115.502 flat angles P-C4'-P energy: -79.388 tors. eta vs tors. theta energy: -135.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1584.240867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.240867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.240867 (E_RNA) where: Base-Base interactions energy: -1076.133 where: short stacking energy: -478.107 Base-Backbone interact. energy: 0.857 local terms energy: -508.964767 where: bonds (distance) C4'-P energy: -103.006 bonds (distance) P-C4' energy: -101.199 flat angles C4'-P-C4' energy: -102.865 flat angles P-C4'-P energy: -78.538 tors. eta vs tors. theta energy: -123.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1519.040476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.040476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.040476 (E_RNA) where: Base-Base interactions energy: -1039.231 where: short stacking energy: -461.417 Base-Backbone interact. energy: 2.928 local terms energy: -482.737514 where: bonds (distance) C4'-P energy: -85.133 bonds (distance) P-C4' energy: -93.623 flat angles C4'-P-C4' energy: -112.666 flat angles P-C4'-P energy: -72.934 tors. eta vs tors. theta energy: -118.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1351.863545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.863545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.863545 (E_RNA) where: Base-Base interactions energy: -897.981 where: short stacking energy: -382.816 Base-Backbone interact. energy: -2.782 local terms energy: -451.101370 where: bonds (distance) C4'-P energy: -80.251 bonds (distance) P-C4' energy: -90.118 flat angles C4'-P-C4' energy: -104.609 flat angles P-C4'-P energy: -65.639 tors. eta vs tors. theta energy: -110.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1282.787259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.787259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.787259 (E_RNA) where: Base-Base interactions energy: -877.203 where: short stacking energy: -354.414 Base-Backbone interact. energy: -0.652 local terms energy: -404.932201 where: bonds (distance) C4'-P energy: -92.559 bonds (distance) P-C4' energy: -78.021 flat angles C4'-P-C4' energy: -110.773 flat angles P-C4'-P energy: -51.027 tors. eta vs tors. theta energy: -72.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -773.333637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.333637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.333637 (E_RNA) where: Base-Base interactions energy: -457.941 where: short stacking energy: -219.310 Base-Backbone interact. energy: 5.130 local terms energy: -320.523441 where: bonds (distance) C4'-P energy: -76.533 bonds (distance) P-C4' energy: -94.252 flat angles C4'-P-C4' energy: -69.045 flat angles P-C4'-P energy: -58.401 tors. eta vs tors. theta energy: -22.292 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: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -485.605236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.605236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.605236 (E_RNA) where: Base-Base interactions energy: -202.103 where: short stacking energy: -146.098 Base-Backbone interact. energy: -0.471 local terms energy: -283.031696 where: bonds (distance) C4'-P energy: -97.123 bonds (distance) P-C4' energy: -82.462 flat angles C4'-P-C4' energy: -80.392 flat angles P-C4'-P energy: -45.368 tors. eta vs tors. theta energy: 22.314 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: 1, replica: 5 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1919.402101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.402101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.402101 (E_RNA) where: Base-Base interactions energy: -1304.077 where: short stacking energy: -560.496 Base-Backbone interact. energy: -6.132 local terms energy: -609.193495 where: bonds (distance) C4'-P energy: -108.887 bonds (distance) P-C4' energy: -115.203 flat angles C4'-P-C4' energy: -127.456 flat angles P-C4'-P energy: -83.701 tors. eta vs tors. theta energy: -173.947 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: 7 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1905.790195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.790195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.790195 (E_RNA) where: Base-Base interactions energy: -1326.129 where: short stacking energy: -575.726 Base-Backbone interact. energy: 1.644 local terms energy: -581.305172 where: bonds (distance) C4'-P energy: -90.200 bonds (distance) P-C4' energy: -109.357 flat angles C4'-P-C4' energy: -129.051 flat angles P-C4'-P energy: -85.122 tors. eta vs tors. theta energy: -167.574 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: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1716.086012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.086012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.086012 (E_RNA) where: Base-Base interactions energy: -1161.895 where: short stacking energy: -490.780 Base-Backbone interact. energy: -2.549 local terms energy: -551.642435 where: bonds (distance) C4'-P energy: -95.585 bonds (distance) P-C4' energy: -114.945 flat angles C4'-P-C4' energy: -121.811 flat angles P-C4'-P energy: -76.882 tors. eta vs tors. theta energy: -142.419 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: 4 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1665.080348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.080348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.080348 (E_RNA) where: Base-Base interactions energy: -1127.817 where: short stacking energy: -517.629 Base-Backbone interact. energy: -2.390 local terms energy: -534.872943 where: bonds (distance) C4'-P energy: -95.465 bonds (distance) P-C4' energy: -102.698 flat angles C4'-P-C4' energy: -115.764 flat angles P-C4'-P energy: -72.324 tors. eta vs tors. theta energy: -148.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1596.920187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.920187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.920187 (E_RNA) where: Base-Base interactions energy: -1086.727 where: short stacking energy: -475.285 Base-Backbone interact. energy: -2.126 local terms energy: -508.067240 where: bonds (distance) C4'-P energy: -101.159 bonds (distance) P-C4' energy: -96.467 flat angles C4'-P-C4' energy: -106.860 flat angles P-C4'-P energy: -79.102 tors. eta vs tors. theta energy: -124.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1427.698450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.698450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.698450 (E_RNA) where: Base-Base interactions energy: -958.063 where: short stacking energy: -425.508 Base-Backbone interact. energy: -0.500 local terms energy: -469.135183 where: bonds (distance) C4'-P energy: -90.860 bonds (distance) P-C4' energy: -89.817 flat angles C4'-P-C4' energy: -101.420 flat angles P-C4'-P energy: -65.728 tors. eta vs tors. theta energy: -121.309 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: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1431.784651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.784651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.784651 (E_RNA) where: Base-Base interactions energy: -961.651 where: short stacking energy: -407.674 Base-Backbone interact. energy: 0.039 local terms energy: -470.172688 where: bonds (distance) C4'-P energy: -101.125 bonds (distance) P-C4' energy: -90.769 flat angles C4'-P-C4' energy: -108.810 flat angles P-C4'-P energy: -57.761 tors. eta vs tors. theta energy: -111.709 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: 377 Temperature: 1.250000 Total energy: -1275.439989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.439989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.439989 (E_RNA) where: Base-Base interactions energy: -890.663 where: short stacking energy: -354.190 Base-Backbone interact. energy: 1.642 local terms energy: -386.419256 where: bonds (distance) C4'-P energy: -84.503 bonds (distance) P-C4' energy: -77.353 flat angles C4'-P-C4' energy: -79.511 flat angles P-C4'-P energy: -69.512 tors. eta vs tors. theta energy: -75.541 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: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -800.233233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.233233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.233233 (E_RNA) where: Base-Base interactions energy: -447.061 where: short stacking energy: -214.577 Base-Backbone interact. energy: -1.927 local terms energy: -351.245568 where: bonds (distance) C4'-P energy: -100.189 bonds (distance) P-C4' energy: -88.192 flat angles C4'-P-C4' energy: -85.415 flat angles P-C4'-P energy: -56.034 tors. eta vs tors. theta energy: -21.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -487.869143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.869143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.869143 (E_RNA) where: Base-Base interactions energy: -215.069 where: short stacking energy: -149.539 Base-Backbone interact. energy: -0.201 local terms energy: -272.599269 where: bonds (distance) C4'-P energy: -73.802 bonds (distance) P-C4' energy: -89.410 flat angles C4'-P-C4' energy: -67.656 flat angles P-C4'-P energy: -51.219 tors. eta vs tors. theta energy: 9.488 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: 5 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1936.130361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.130361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.130361 (E_RNA) where: Base-Base interactions energy: -1308.046 where: short stacking energy: -580.778 Base-Backbone interact. energy: -4.554 local terms energy: -623.530208 where: bonds (distance) C4'-P energy: -112.855 bonds (distance) P-C4' energy: -111.625 flat angles C4'-P-C4' energy: -130.615 flat angles P-C4'-P energy: -93.007 tors. eta vs tors. theta energy: -175.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1901.571066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.571066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.571066 (E_RNA) where: Base-Base interactions energy: -1274.312 where: short stacking energy: -588.467 Base-Backbone interact. energy: -1.702 local terms energy: -625.557803 where: bonds (distance) C4'-P energy: -117.279 bonds (distance) P-C4' energy: -115.585 flat angles C4'-P-C4' energy: -133.347 flat angles P-C4'-P energy: -89.451 tors. eta vs tors. theta energy: -169.896 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: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1762.996697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.996697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.996697 (E_RNA) where: Base-Base interactions energy: -1182.239 where: short stacking energy: -529.858 Base-Backbone interact. energy: 0.341 local terms energy: -581.099646 where: bonds (distance) C4'-P energy: -118.013 bonds (distance) P-C4' energy: -99.458 flat angles C4'-P-C4' energy: -123.319 flat angles P-C4'-P energy: -76.988 tors. eta vs tors. theta energy: -163.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1642.988241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.988241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.988241 (E_RNA) where: Base-Base interactions energy: -1131.171 where: short stacking energy: -503.331 Base-Backbone interact. energy: -2.076 local terms energy: -509.741551 where: bonds (distance) C4'-P energy: -88.598 bonds (distance) P-C4' energy: -73.850 flat angles C4'-P-C4' energy: -122.279 flat angles P-C4'-P energy: -79.982 tors. eta vs tors. theta energy: -145.033 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: 10 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1570.074828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.074828 (E_RNA) where: Base-Base interactions energy: -1079.408 where: short stacking energy: -452.366 Base-Backbone interact. energy: 2.098 local terms energy: -492.764137 where: bonds (distance) C4'-P energy: -87.765 bonds (distance) P-C4' energy: -96.485 flat angles C4'-P-C4' energy: -113.664 flat angles P-C4'-P energy: -63.965 tors. eta vs tors. theta energy: -130.884 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: 2 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1444.590493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.590493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.590493 (E_RNA) where: Base-Base interactions energy: -975.396 where: short stacking energy: -401.142 Base-Backbone interact. energy: -1.127 local terms energy: -468.066757 where: bonds (distance) C4'-P energy: -103.882 bonds (distance) P-C4' energy: -93.804 flat angles C4'-P-C4' energy: -101.985 flat angles P-C4'-P energy: -67.501 tors. eta vs tors. theta energy: -100.895 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: 378 Temperature: 1.200000 Total energy: -1390.430090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.430090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.430090 (E_RNA) where: Base-Base interactions energy: -929.346 where: short stacking energy: -392.126 Base-Backbone interact. energy: 0.952 local terms energy: -462.036031 where: bonds (distance) C4'-P energy: -93.241 bonds (distance) P-C4' energy: -96.110 flat angles C4'-P-C4' energy: -97.659 flat angles P-C4'-P energy: -75.384 tors. eta vs tors. theta energy: -99.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1283.388898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.388898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.388898 (E_RNA) where: Base-Base interactions energy: -855.680 where: short stacking energy: -345.955 Base-Backbone interact. energy: 5.901 local terms energy: -433.609713 where: bonds (distance) C4'-P energy: -89.935 bonds (distance) P-C4' energy: -96.319 flat angles C4'-P-C4' energy: -102.815 flat angles P-C4'-P energy: -65.462 tors. eta vs tors. theta energy: -79.080 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: 9 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -758.505433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.505433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.505433 (E_RNA) where: Base-Base interactions energy: -407.786 where: short stacking energy: -177.343 Base-Backbone interact. energy: -0.836 local terms energy: -349.883756 where: bonds (distance) C4'-P energy: -105.084 bonds (distance) P-C4' energy: -88.048 flat angles C4'-P-C4' energy: -91.313 flat angles P-C4'-P energy: -52.519 tors. eta vs tors. theta energy: -12.920 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: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -499.045623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.045623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.045623 (E_RNA) where: Base-Base interactions energy: -214.626 where: short stacking energy: -149.579 Base-Backbone interact. energy: 6.508 local terms energy: -290.926955 where: bonds (distance) C4'-P energy: -88.773 bonds (distance) P-C4' energy: -95.863 flat angles C4'-P-C4' energy: -86.069 flat angles P-C4'-P energy: -39.225 tors. eta vs tors. theta energy: 19.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1899.864610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.864610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.864610 (E_RNA) where: Base-Base interactions energy: -1304.960 where: short stacking energy: -561.965 Base-Backbone interact. energy: -2.771 local terms energy: -592.133884 where: bonds (distance) C4'-P energy: -107.390 bonds (distance) P-C4' energy: -117.487 flat angles C4'-P-C4' energy: -122.448 flat angles P-C4'-P energy: -76.396 tors. eta vs tors. theta energy: -168.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1902.056395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.056395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.056395 (E_RNA) where: Base-Base interactions energy: -1315.037 where: short stacking energy: -573.031 Base-Backbone interact. energy: -4.225 local terms energy: -582.795205 where: bonds (distance) C4'-P energy: -104.210 bonds (distance) P-C4' energy: -109.803 flat angles C4'-P-C4' energy: -114.405 flat angles P-C4'-P energy: -83.318 tors. eta vs tors. theta energy: -171.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1746.190633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.190633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.190633 (E_RNA) where: Base-Base interactions energy: -1193.869 where: short stacking energy: -504.130 Base-Backbone interact. energy: -3.870 local terms energy: -548.450776 where: bonds (distance) C4'-P energy: -94.662 bonds (distance) P-C4' energy: -104.806 flat angles C4'-P-C4' energy: -113.139 flat angles P-C4'-P energy: -84.648 tors. eta vs tors. theta energy: -151.196 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: 4, replica: 4 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1629.415452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.415452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.415452 (E_RNA) where: Base-Base interactions energy: -1100.483 where: short stacking energy: -465.539 Base-Backbone interact. energy: -1.066 local terms energy: -527.866414 where: bonds (distance) C4'-P energy: -98.279 bonds (distance) P-C4' energy: -103.918 flat angles C4'-P-C4' energy: -107.647 flat angles P-C4'-P energy: -88.548 tors. eta vs tors. theta energy: -129.474 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: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1635.849273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.849273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.849273 (E_RNA) where: Base-Base interactions energy: -1128.083 where: short stacking energy: -480.250 Base-Backbone interact. energy: -1.721 local terms energy: -506.045316 where: bonds (distance) C4'-P energy: -84.759 bonds (distance) P-C4' energy: -100.301 flat angles C4'-P-C4' energy: -111.684 flat angles P-C4'-P energy: -67.300 tors. eta vs tors. theta energy: -142.001 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: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1474.061889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.061889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.061889 (E_RNA) where: Base-Base interactions energy: -993.909 where: short stacking energy: -411.310 Base-Backbone interact. energy: -1.222 local terms energy: -478.931043 where: bonds (distance) C4'-P energy: -86.982 bonds (distance) P-C4' energy: -103.947 flat angles C4'-P-C4' energy: -109.275 flat angles P-C4'-P energy: -68.473 tors. eta vs tors. theta energy: -110.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1408.126634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.126634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.126634 (E_RNA) where: Base-Base interactions energy: -962.287 where: short stacking energy: -408.863 Base-Backbone interact. energy: -0.957 local terms energy: -444.883154 where: bonds (distance) C4'-P energy: -84.938 bonds (distance) P-C4' energy: -104.908 flat angles C4'-P-C4' energy: -90.450 flat angles P-C4'-P energy: -53.998 tors. eta vs tors. theta energy: -110.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1316.440857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.440857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.440857 (E_RNA) where: Base-Base interactions energy: -914.175 where: short stacking energy: -381.451 Base-Backbone interact. energy: -1.848 local terms energy: -400.417883 where: bonds (distance) C4'-P energy: -76.985 bonds (distance) P-C4' energy: -87.272 flat angles C4'-P-C4' energy: -91.470 flat angles P-C4'-P energy: -62.313 tors. eta vs tors. theta energy: -82.379 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: 379 Temperature: 1.300000 Total energy: -790.795765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.795765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.795765 (E_RNA) where: Base-Base interactions energy: -462.093 where: short stacking energy: -234.038 Base-Backbone interact. energy: -2.466 local terms energy: -326.236108 where: bonds (distance) C4'-P energy: -88.293 bonds (distance) P-C4' energy: -87.190 flat angles C4'-P-C4' energy: -79.271 flat angles P-C4'-P energy: -51.830 tors. eta vs tors. theta energy: -19.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -496.186081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.186081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.186081 (E_RNA) where: Base-Base interactions energy: -191.625 where: short stacking energy: -143.992 Base-Backbone interact. energy: 0.824 local terms energy: -305.384777 where: bonds (distance) C4'-P energy: -90.867 bonds (distance) P-C4' energy: -100.245 flat angles C4'-P-C4' energy: -69.780 flat angles P-C4'-P energy: -43.606 tors. eta vs tors. theta energy: -0.886 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: 5 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1937.577059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.577059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.577059 (E_RNA) where: Base-Base interactions energy: -1330.569 where: short stacking energy: -567.008 Base-Backbone interact. energy: 0.136 local terms energy: -607.143863 where: bonds (distance) C4'-P energy: -114.515 bonds (distance) P-C4' energy: -111.872 flat angles C4'-P-C4' energy: -122.901 flat angles P-C4'-P energy: -88.591 tors. eta vs tors. theta energy: -169.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1897.104920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.104920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.104920 (E_RNA) where: Base-Base interactions energy: -1308.990 where: short stacking energy: -565.714 Base-Backbone interact. energy: -1.645 local terms energy: -586.469811 where: bonds (distance) C4'-P energy: -101.143 bonds (distance) P-C4' energy: -110.262 flat angles C4'-P-C4' energy: -120.190 flat angles P-C4'-P energy: -86.915 tors. eta vs tors. theta energy: -167.959 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: 3 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1727.469014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.469014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.469014 (E_RNA) where: Base-Base interactions energy: -1195.885 where: short stacking energy: -525.885 Base-Backbone interact. energy: -2.016 local terms energy: -529.568656 where: bonds (distance) C4'-P energy: -101.444 bonds (distance) P-C4' energy: -109.676 flat angles C4'-P-C4' energy: -111.663 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -136.611 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: 4 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1629.996120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.996120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.996120 (E_RNA) where: Base-Base interactions energy: -1097.569 where: short stacking energy: -482.381 Base-Backbone interact. energy: -2.047 local terms energy: -530.379922 where: bonds (distance) C4'-P energy: -97.487 bonds (distance) P-C4' energy: -99.905 flat angles C4'-P-C4' energy: -108.900 flat angles P-C4'-P energy: -86.250 tors. eta vs tors. theta energy: -137.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1578.753609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.753609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.753609 (E_RNA) where: Base-Base interactions energy: -1062.031 where: short stacking energy: -471.887 Base-Backbone interact. energy: 2.617 local terms energy: -519.339663 where: bonds (distance) C4'-P energy: -104.148 bonds (distance) P-C4' energy: -108.345 flat angles C4'-P-C4' energy: -94.709 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: -135.611 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: 6, replica: 2 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1492.065434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.065434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.065434 (E_RNA) where: Base-Base interactions energy: -1009.468 where: short stacking energy: -450.144 Base-Backbone interact. energy: -0.258 local terms energy: -482.339411 where: bonds (distance) C4'-P energy: -95.609 bonds (distance) P-C4' energy: -96.965 flat angles C4'-P-C4' energy: -95.968 flat angles P-C4'-P energy: -69.765 tors. eta vs tors. theta energy: -124.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1420.563566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.563566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.563566 (E_RNA) where: Base-Base interactions energy: -950.079 where: short stacking energy: -415.936 Base-Backbone interact. energy: -1.893 local terms energy: -468.591530 where: bonds (distance) C4'-P energy: -67.336 bonds (distance) P-C4' energy: -106.343 flat angles C4'-P-C4' energy: -105.152 flat angles P-C4'-P energy: -73.902 tors. eta vs tors. theta energy: -115.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1237.425969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.425969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.425969 (E_RNA) where: Base-Base interactions energy: -805.570 where: short stacking energy: -339.739 Base-Backbone interact. energy: 0.196 local terms energy: -432.051933 where: bonds (distance) C4'-P energy: -97.737 bonds (distance) P-C4' energy: -90.806 flat angles C4'-P-C4' energy: -83.535 flat angles P-C4'-P energy: -80.051 tors. eta vs tors. theta energy: -79.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -806.355340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.355340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.355340 (E_RNA) where: Base-Base interactions energy: -471.680 where: short stacking energy: -252.642 Base-Backbone interact. energy: 0.094 local terms energy: -334.769903 where: bonds (distance) C4'-P energy: -85.027 bonds (distance) P-C4' energy: -92.628 flat angles C4'-P-C4' energy: -74.889 flat angles P-C4'-P energy: -53.549 tors. eta vs tors. theta energy: -28.676 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: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -473.249918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.249918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.249918 (E_RNA) where: Base-Base interactions energy: -205.268 where: short stacking energy: -147.310 Base-Backbone interact. energy: -0.368 local terms energy: -267.614111 where: bonds (distance) C4'-P energy: -78.601 bonds (distance) P-C4' energy: -80.147 flat angles C4'-P-C4' energy: -73.395 flat angles P-C4'-P energy: -44.218 tors. eta vs tors. theta energy: 8.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1922.526060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.526060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.526060 (E_RNA) where: Base-Base interactions energy: -1323.911 where: short stacking energy: -591.703 Base-Backbone interact. energy: -2.699 local terms energy: -595.915738 where: bonds (distance) C4'-P energy: -97.811 bonds (distance) P-C4' energy: -102.973 flat angles C4'-P-C4' energy: -120.105 flat angles P-C4'-P energy: -94.554 tors. eta vs tors. theta energy: -180.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1904.319282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.319282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.319282 (E_RNA) where: Base-Base interactions energy: -1317.027 where: short stacking energy: -585.507 Base-Backbone interact. energy: -2.828 local terms energy: -584.463752 where: bonds (distance) C4'-P energy: -108.061 bonds (distance) P-C4' energy: -91.526 flat angles C4'-P-C4' energy: -125.153 flat angles P-C4'-P energy: -86.732 tors. eta vs tors. theta energy: -172.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1733.779452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.779452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.779452 (E_RNA) where: Base-Base interactions energy: -1181.791 where: short stacking energy: -508.022 Base-Backbone interact. energy: -0.157 local terms energy: -551.831708 where: bonds (distance) C4'-P energy: -99.278 bonds (distance) P-C4' energy: -95.300 flat angles C4'-P-C4' energy: -121.704 flat angles P-C4'-P energy: -86.355 tors. eta vs tors. theta energy: -149.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1620.955520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.955520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.955520 (E_RNA) where: Base-Base interactions energy: -1104.878 where: short stacking energy: -483.808 Base-Backbone interact. energy: -2.188 local terms energy: -513.889933 where: bonds (distance) C4'-P energy: -94.455 bonds (distance) P-C4' energy: -104.947 flat angles C4'-P-C4' energy: -102.821 flat angles P-C4'-P energy: -82.709 tors. eta vs tors. theta energy: -128.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1571.617434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.617434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.617434 (E_RNA) where: Base-Base interactions energy: -1066.818 where: short stacking energy: -466.223 Base-Backbone interact. energy: -2.420 local terms energy: -502.380232 where: bonds (distance) C4'-P energy: -109.356 bonds (distance) P-C4' energy: -99.462 flat angles C4'-P-C4' energy: -100.704 flat angles P-C4'-P energy: -64.068 tors. eta vs tors. theta energy: -128.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1470.119791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.119791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.119791 (E_RNA) where: Base-Base interactions energy: -995.203 where: short stacking energy: -451.357 Base-Backbone interact. energy: -0.907 local terms energy: -474.009120 where: bonds (distance) C4'-P energy: -80.387 bonds (distance) P-C4' energy: -99.775 flat angles C4'-P-C4' energy: -94.541 flat angles P-C4'-P energy: -81.316 tors. eta vs tors. theta energy: -117.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1475.398411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.398411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.398411 (E_RNA) where: Base-Base interactions energy: -1008.159 where: short stacking energy: -420.938 Base-Backbone interact. energy: -0.769 local terms energy: -466.470105 where: bonds (distance) C4'-P energy: -91.491 bonds (distance) P-C4' energy: -109.484 flat angles C4'-P-C4' energy: -95.176 flat angles P-C4'-P energy: -49.843 tors. eta vs tors. theta energy: -120.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1262.759455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.759455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.759455 (E_RNA) where: Base-Base interactions energy: -847.127 where: short stacking energy: -382.748 Base-Backbone interact. energy: 3.987 local terms energy: -419.619283 where: bonds (distance) C4'-P energy: -83.735 bonds (distance) P-C4' energy: -87.818 flat angles C4'-P-C4' energy: -93.243 flat angles P-C4'-P energy: -69.188 tors. eta vs tors. theta energy: -85.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -788.684159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.684159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.684159 (E_RNA) where: Base-Base interactions energy: -458.056 where: short stacking energy: -221.494 Base-Backbone interact. energy: 0.995 local terms energy: -331.623047 where: bonds (distance) C4'-P energy: -91.797 bonds (distance) P-C4' energy: -95.564 flat angles C4'-P-C4' energy: -77.846 flat angles P-C4'-P energy: -40.008 tors. eta vs tors. theta energy: -26.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -449.239065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.239065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.239065 (E_RNA) where: Base-Base interactions energy: -168.902 where: short stacking energy: -150.224 Base-Backbone interact. energy: 2.362 local terms energy: -282.699170 where: bonds (distance) C4'-P energy: -76.429 bonds (distance) P-C4' energy: -77.890 flat angles C4'-P-C4' energy: -82.866 flat angles P-C4'-P energy: -59.052 tors. eta vs tors. theta energy: 13.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1957.507506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.507506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.507506 (E_RNA) where: Base-Base interactions energy: -1358.536 where: short stacking energy: -569.786 Base-Backbone interact. energy: -2.872 local terms energy: -596.099399 where: bonds (distance) C4'-P energy: -111.892 bonds (distance) P-C4' energy: -107.800 flat angles C4'-P-C4' energy: -124.813 flat angles P-C4'-P energy: -82.669 tors. eta vs tors. theta energy: -168.925 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: 2, replica: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1862.856275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.856275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.856275 (E_RNA) where: Base-Base interactions energy: -1275.430 where: short stacking energy: -534.234 Base-Backbone interact. energy: -1.398 local terms energy: -586.028471 where: bonds (distance) C4'-P energy: -100.743 bonds (distance) P-C4' energy: -107.245 flat angles C4'-P-C4' energy: -125.997 flat angles P-C4'-P energy: -86.313 tors. eta vs tors. theta energy: -165.731 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: 3 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1735.175891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.175891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.175891 (E_RNA) where: Base-Base interactions energy: -1207.061 where: short stacking energy: -514.903 Base-Backbone interact. energy: -1.502 local terms energy: -526.612458 where: bonds (distance) C4'-P energy: -86.135 bonds (distance) P-C4' energy: -107.207 flat angles C4'-P-C4' energy: -116.355 flat angles P-C4'-P energy: -78.936 tors. eta vs tors. theta energy: -137.980 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: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1627.480542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.480542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.480542 (E_RNA) where: Base-Base interactions energy: -1100.346 where: short stacking energy: -482.377 Base-Backbone interact. energy: -1.815 local terms energy: -525.319177 where: bonds (distance) C4'-P energy: -91.296 bonds (distance) P-C4' energy: -95.530 flat angles C4'-P-C4' energy: -119.095 flat angles P-C4'-P energy: -82.733 tors. eta vs tors. theta energy: -136.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1593.859377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.859377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.859377 (E_RNA) where: Base-Base interactions energy: -1089.625 where: short stacking energy: -469.912 Base-Backbone interact. energy: 0.910 local terms energy: -505.144714 where: bonds (distance) C4'-P energy: -91.397 bonds (distance) P-C4' energy: -108.830 flat angles C4'-P-C4' energy: -112.331 flat angles P-C4'-P energy: -83.086 tors. eta vs tors. theta energy: -109.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1468.637156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.637156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.637156 (E_RNA) where: Base-Base interactions energy: -992.533 where: short stacking energy: -429.076 Base-Backbone interact. energy: -2.003 local terms energy: -474.101632 where: bonds (distance) C4'-P energy: -94.598 bonds (distance) P-C4' energy: -100.848 flat angles C4'-P-C4' energy: -109.594 flat angles P-C4'-P energy: -67.434 tors. eta vs tors. theta energy: -101.628 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: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1429.378449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.378449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.378449 (E_RNA) where: Base-Base interactions energy: -976.706 where: short stacking energy: -410.584 Base-Backbone interact. energy: -0.252 local terms energy: -452.420514 where: bonds (distance) C4'-P energy: -93.858 bonds (distance) P-C4' energy: -105.329 flat angles C4'-P-C4' energy: -96.766 flat angles P-C4'-P energy: -52.258 tors. eta vs tors. theta energy: -104.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1283.351008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.351008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.351008 (E_RNA) where: Base-Base interactions energy: -847.202 where: short stacking energy: -350.431 Base-Backbone interact. energy: -2.734 local terms energy: -433.415507 where: bonds (distance) C4'-P energy: -90.235 bonds (distance) P-C4' energy: -107.976 flat angles C4'-P-C4' energy: -103.943 flat angles P-C4'-P energy: -54.321 tors. eta vs tors. theta energy: -76.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -792.552320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.552320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.552320 (E_RNA) where: Base-Base interactions energy: -453.386 where: short stacking energy: -220.868 Base-Backbone interact. energy: 5.507 local terms energy: -344.672680 where: bonds (distance) C4'-P energy: -91.949 bonds (distance) P-C4' energy: -92.324 flat angles C4'-P-C4' energy: -83.855 flat angles P-C4'-P energy: -56.998 tors. eta vs tors. theta energy: -19.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -417.521769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.521769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.521769 (E_RNA) where: Base-Base interactions energy: -162.586 where: short stacking energy: -131.792 Base-Backbone interact. energy: 0.571 local terms energy: -255.506688 where: bonds (distance) C4'-P energy: -85.204 bonds (distance) P-C4' energy: -82.846 flat angles C4'-P-C4' energy: -69.118 flat angles P-C4'-P energy: -35.139 tors. eta vs tors. theta energy: 16.800 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: 7 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1942.852970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.852970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.852970 (E_RNA) where: Base-Base interactions energy: -1348.178 where: short stacking energy: -568.211 Base-Backbone interact. energy: -2.212 local terms energy: -592.462670 where: bonds (distance) C4'-P energy: -100.437 bonds (distance) P-C4' energy: -112.921 flat angles C4'-P-C4' energy: -129.408 flat angles P-C4'-P energy: -80.844 tors. eta vs tors. theta energy: -168.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1861.401260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.401260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.401260 (E_RNA) where: Base-Base interactions energy: -1270.060 where: short stacking energy: -527.918 Base-Backbone interact. energy: -4.609 local terms energy: -586.731809 where: bonds (distance) C4'-P energy: -108.902 bonds (distance) P-C4' energy: -109.144 flat angles C4'-P-C4' energy: -120.979 flat angles P-C4'-P energy: -70.704 tors. eta vs tors. theta energy: -177.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1713.704282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.704282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.704282 (E_RNA) where: Base-Base interactions energy: -1179.470 where: short stacking energy: -509.047 Base-Backbone interact. energy: -0.488 local terms energy: -533.745960 where: bonds (distance) C4'-P energy: -95.334 bonds (distance) P-C4' energy: -100.881 flat angles C4'-P-C4' energy: -112.549 flat angles P-C4'-P energy: -87.244 tors. eta vs tors. theta energy: -137.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1644.357872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.357872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.357872 (E_RNA) where: Base-Base interactions energy: -1092.615 where: short stacking energy: -473.597 Base-Backbone interact. energy: -1.387 local terms energy: -550.356186 where: bonds (distance) C4'-P energy: -101.978 bonds (distance) P-C4' energy: -101.154 flat angles C4'-P-C4' energy: -119.082 flat angles P-C4'-P energy: -86.199 tors. eta vs tors. theta energy: -141.943 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: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1601.438454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.438454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.438454 (E_RNA) where: Base-Base interactions energy: -1087.698 where: short stacking energy: -457.075 Base-Backbone interact. energy: 0.899 local terms energy: -514.638985 where: bonds (distance) C4'-P energy: -96.902 bonds (distance) P-C4' energy: -98.350 flat angles C4'-P-C4' energy: -113.707 flat angles P-C4'-P energy: -75.023 tors. eta vs tors. theta energy: -130.658 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: 383 Temperature: 1.150000 Total energy: -1457.255488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.255488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.255488 (E_RNA) where: Base-Base interactions energy: -1012.402 where: short stacking energy: -445.665 Base-Backbone interact. energy: -1.022 local terms energy: -443.831957 where: bonds (distance) C4'-P energy: -63.564 bonds (distance) P-C4' energy: -93.224 flat angles C4'-P-C4' energy: -93.763 flat angles P-C4'-P energy: -73.315 tors. eta vs tors. theta energy: -119.967 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: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1422.855714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.855714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.855714 (E_RNA) where: Base-Base interactions energy: -962.095 where: short stacking energy: -410.080 Base-Backbone interact. energy: 0.936 local terms energy: -461.697360 where: bonds (distance) C4'-P energy: -91.034 bonds (distance) P-C4' energy: -97.694 flat angles C4'-P-C4' energy: -99.823 flat angles P-C4'-P energy: -63.793 tors. eta vs tors. theta energy: -109.354 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: 383 Temperature: 1.250000 Total energy: -1260.462923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.462923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.462923 (E_RNA) where: Base-Base interactions energy: -839.219 where: short stacking energy: -350.286 Base-Backbone interact. energy: -1.281 local terms energy: -419.963049 where: bonds (distance) C4'-P energy: -85.980 bonds (distance) P-C4' energy: -115.135 flat angles C4'-P-C4' energy: -94.150 flat angles P-C4'-P energy: -42.840 tors. eta vs tors. theta energy: -81.859 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: 9 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -788.056680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.056680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.056680 (E_RNA) where: Base-Base interactions energy: -438.375 where: short stacking energy: -215.923 Base-Backbone interact. energy: 0.273 local terms energy: -349.955241 where: bonds (distance) C4'-P energy: -97.798 bonds (distance) P-C4' energy: -87.352 flat angles C4'-P-C4' energy: -93.451 flat angles P-C4'-P energy: -43.222 tors. eta vs tors. theta energy: -28.133 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: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -465.544096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.544096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.544096 (E_RNA) where: Base-Base interactions energy: -184.591 where: short stacking energy: -138.603 Base-Backbone interact. energy: -2.224 local terms energy: -278.729648 where: bonds (distance) C4'-P energy: -87.002 bonds (distance) P-C4' energy: -92.829 flat angles C4'-P-C4' energy: -68.010 flat angles P-C4'-P energy: -50.311 tors. eta vs tors. theta energy: 19.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1917.808904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.808904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.808904 (E_RNA) where: Base-Base interactions energy: -1329.536 where: short stacking energy: -556.371 Base-Backbone interact. energy: -3.216 local terms energy: -585.057588 where: bonds (distance) C4'-P energy: -107.471 bonds (distance) P-C4' energy: -98.882 flat angles C4'-P-C4' energy: -121.223 flat angles P-C4'-P energy: -87.636 tors. eta vs tors. theta energy: -169.846 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: 2, replica: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1880.579409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.579409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.579409 (E_RNA) where: Base-Base interactions energy: -1286.834 where: short stacking energy: -565.908 Base-Backbone interact. energy: 1.624 local terms energy: -595.369449 where: bonds (distance) C4'-P energy: -106.291 bonds (distance) P-C4' energy: -107.512 flat angles C4'-P-C4' energy: -125.393 flat angles P-C4'-P energy: -84.680 tors. eta vs tors. theta energy: -171.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1725.261026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.261026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.261026 (E_RNA) where: Base-Base interactions energy: -1154.435 where: short stacking energy: -501.988 Base-Backbone interact. energy: -0.570 local terms energy: -570.256337 where: bonds (distance) C4'-P energy: -115.688 bonds (distance) P-C4' energy: -104.079 flat angles C4'-P-C4' energy: -125.371 flat angles P-C4'-P energy: -82.990 tors. eta vs tors. theta energy: -142.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1683.439334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.439334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.439334 (E_RNA) where: Base-Base interactions energy: -1156.843 where: short stacking energy: -508.835 Base-Backbone interact. energy: -0.770 local terms energy: -525.825797 where: bonds (distance) C4'-P energy: -89.593 bonds (distance) P-C4' energy: -102.190 flat angles C4'-P-C4' energy: -108.384 flat angles P-C4'-P energy: -74.399 tors. eta vs tors. theta energy: -151.261 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: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1556.325313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.325313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.325313 (E_RNA) where: Base-Base interactions energy: -1063.065 where: short stacking energy: -451.774 Base-Backbone interact. energy: 2.188 local terms energy: -495.447971 where: bonds (distance) C4'-P energy: -87.766 bonds (distance) P-C4' energy: -95.399 flat angles C4'-P-C4' energy: -105.550 flat angles P-C4'-P energy: -81.795 tors. eta vs tors. theta energy: -124.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1459.448550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.448550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.448550 (E_RNA) where: Base-Base interactions energy: -971.753 where: short stacking energy: -423.719 Base-Backbone interact. energy: 0.841 local terms energy: -488.536064 where: bonds (distance) C4'-P energy: -98.740 bonds (distance) P-C4' energy: -93.923 flat angles C4'-P-C4' energy: -107.810 flat angles P-C4'-P energy: -76.901 tors. eta vs tors. theta energy: -111.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1420.301196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.301196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.301196 (E_RNA) where: Base-Base interactions energy: -964.597 where: short stacking energy: -419.538 Base-Backbone interact. energy: -3.425 local terms energy: -452.279066 where: bonds (distance) C4'-P energy: -86.978 bonds (distance) P-C4' energy: -94.660 flat angles C4'-P-C4' energy: -100.082 flat angles P-C4'-P energy: -65.759 tors. eta vs tors. theta energy: -104.800 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: 384 Temperature: 1.250000 Total energy: -1240.309997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.309997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.309997 (E_RNA) where: Base-Base interactions energy: -852.320 where: short stacking energy: -352.252 Base-Backbone interact. energy: 1.871 local terms energy: -389.860369 where: bonds (distance) C4'-P energy: -81.685 bonds (distance) P-C4' energy: -69.912 flat angles C4'-P-C4' energy: -94.268 flat angles P-C4'-P energy: -61.491 tors. eta vs tors. theta energy: -82.504 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: 9, replica: 9 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -740.976797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.976797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.976797 (E_RNA) where: Base-Base interactions energy: -406.353 where: short stacking energy: -173.350 Base-Backbone interact. energy: 0.237 local terms energy: -334.860282 where: bonds (distance) C4'-P energy: -84.944 bonds (distance) P-C4' energy: -97.989 flat angles C4'-P-C4' energy: -86.842 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: -20.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -469.727464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.727464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.727464 (E_RNA) where: Base-Base interactions energy: -180.054 where: short stacking energy: -124.427 Base-Backbone interact. energy: 5.148 local terms energy: -294.821711 where: bonds (distance) C4'-P energy: -92.439 bonds (distance) P-C4' energy: -82.062 flat angles C4'-P-C4' energy: -75.248 flat angles P-C4'-P energy: -55.450 tors. eta vs tors. theta energy: 10.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1947.404073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.404073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.404073 (E_RNA) where: Base-Base interactions energy: -1346.495 where: short stacking energy: -578.571 Base-Backbone interact. energy: -2.362 local terms energy: -598.547208 where: bonds (distance) C4'-P energy: -117.542 bonds (distance) P-C4' energy: -113.506 flat angles C4'-P-C4' energy: -115.746 flat angles P-C4'-P energy: -83.483 tors. eta vs tors. theta energy: -168.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1846.147421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.147421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.147421 (E_RNA) where: Base-Base interactions energy: -1275.331 where: short stacking energy: -541.349 Base-Backbone interact. energy: -2.166 local terms energy: -568.650623 where: bonds (distance) C4'-P energy: -103.110 bonds (distance) P-C4' energy: -107.216 flat angles C4'-P-C4' energy: -111.841 flat angles P-C4'-P energy: -80.180 tors. eta vs tors. theta energy: -166.304 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: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1696.141230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.141230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.141230 (E_RNA) where: Base-Base interactions energy: -1148.024 where: short stacking energy: -525.575 Base-Backbone interact. energy: -0.697 local terms energy: -547.420319 where: bonds (distance) C4'-P energy: -96.367 bonds (distance) P-C4' energy: -107.038 flat angles C4'-P-C4' energy: -114.088 flat angles P-C4'-P energy: -74.644 tors. eta vs tors. theta energy: -155.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1671.270568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.270568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.270568 (E_RNA) where: Base-Base interactions energy: -1124.489 where: short stacking energy: -461.606 Base-Backbone interact. energy: -2.660 local terms energy: -544.122135 where: bonds (distance) C4'-P energy: -101.783 bonds (distance) P-C4' energy: -108.972 flat angles C4'-P-C4' energy: -117.647 flat angles P-C4'-P energy: -81.147 tors. eta vs tors. theta energy: -134.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1577.952101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.952101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.952101 (E_RNA) where: Base-Base interactions energy: -1091.600 where: short stacking energy: -458.999 Base-Backbone interact. energy: 4.080 local terms energy: -490.432422 where: bonds (distance) C4'-P energy: -94.971 bonds (distance) P-C4' energy: -94.259 flat angles C4'-P-C4' energy: -107.452 flat angles P-C4'-P energy: -74.528 tors. eta vs tors. theta energy: -119.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1482.701766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.701766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.701766 (E_RNA) where: Base-Base interactions energy: -1000.542 where: short stacking energy: -437.393 Base-Backbone interact. energy: -2.527 local terms energy: -479.632673 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -115.954 flat angles C4'-P-C4' energy: -110.725 flat angles P-C4'-P energy: -59.554 tors. eta vs tors. theta energy: -113.152 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: 385 Temperature: 1.200000 Total energy: -1447.580609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.580609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.580609 (E_RNA) where: Base-Base interactions energy: -982.484 where: short stacking energy: -428.223 Base-Backbone interact. energy: 5.602 local terms energy: -470.699124 where: bonds (distance) C4'-P energy: -99.965 bonds (distance) P-C4' energy: -101.333 flat angles C4'-P-C4' energy: -104.888 flat angles P-C4'-P energy: -58.014 tors. eta vs tors. theta energy: -106.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1205.770940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.770940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.770940 (E_RNA) where: Base-Base interactions energy: -766.172 where: short stacking energy: -337.620 Base-Backbone interact. energy: 0.858 local terms energy: -440.457247 where: bonds (distance) C4'-P energy: -97.228 bonds (distance) P-C4' energy: -100.502 flat angles C4'-P-C4' energy: -111.691 flat angles P-C4'-P energy: -64.361 tors. eta vs tors. theta energy: -66.676 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: 9, replica: 9 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -784.433794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.433794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.433794 (E_RNA) where: Base-Base interactions energy: -468.423 where: short stacking energy: -235.189 Base-Backbone interact. energy: 7.112 local terms energy: -323.122685 where: bonds (distance) C4'-P energy: -91.355 bonds (distance) P-C4' energy: -85.555 flat angles C4'-P-C4' energy: -75.770 flat angles P-C4'-P energy: -42.934 tors. eta vs tors. theta energy: -27.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -495.906806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.906806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.906806 (E_RNA) where: Base-Base interactions energy: -224.877 where: short stacking energy: -162.637 Base-Backbone interact. energy: 5.482 local terms energy: -276.511873 where: bonds (distance) C4'-P energy: -60.568 bonds (distance) P-C4' energy: -84.854 flat angles C4'-P-C4' energy: -88.185 flat angles P-C4'-P energy: -44.610 tors. eta vs tors. theta energy: 1.705 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: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1956.387203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.387203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.387203 (E_RNA) where: Base-Base interactions energy: -1339.348 where: short stacking energy: -563.584 Base-Backbone interact. energy: -1.654 local terms energy: -615.385130 where: bonds (distance) C4'-P energy: -110.607 bonds (distance) P-C4' energy: -124.960 flat angles C4'-P-C4' energy: -122.190 flat angles P-C4'-P energy: -88.775 tors. eta vs tors. theta energy: -168.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1828.808425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.808425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.808425 (E_RNA) where: Base-Base interactions energy: -1249.813 where: short stacking energy: -518.059 Base-Backbone interact. energy: -2.800 local terms energy: -576.194866 where: bonds (distance) C4'-P energy: -114.043 bonds (distance) P-C4' energy: -100.408 flat angles C4'-P-C4' energy: -114.157 flat angles P-C4'-P energy: -91.287 tors. eta vs tors. theta energy: -156.300 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: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1744.741927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.741927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.741927 (E_RNA) where: Base-Base interactions energy: -1161.995 where: short stacking energy: -531.012 Base-Backbone interact. energy: 1.073 local terms energy: -583.819727 where: bonds (distance) C4'-P energy: -108.495 bonds (distance) P-C4' energy: -113.565 flat angles C4'-P-C4' energy: -122.996 flat angles P-C4'-P energy: -77.296 tors. eta vs tors. theta energy: -161.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1669.079340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.079340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.079340 (E_RNA) where: Base-Base interactions energy: -1121.416 where: short stacking energy: -487.007 Base-Backbone interact. energy: -2.750 local terms energy: -544.912498 where: bonds (distance) C4'-P energy: -91.976 bonds (distance) P-C4' energy: -113.091 flat angles C4'-P-C4' energy: -121.095 flat angles P-C4'-P energy: -75.330 tors. eta vs tors. theta energy: -143.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1561.652832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.652832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.652832 (E_RNA) where: Base-Base interactions energy: -1069.887 where: short stacking energy: -479.878 Base-Backbone interact. energy: 2.965 local terms energy: -494.731102 where: bonds (distance) C4'-P energy: -87.678 bonds (distance) P-C4' energy: -93.529 flat angles C4'-P-C4' energy: -104.078 flat angles P-C4'-P energy: -67.439 tors. eta vs tors. theta energy: -142.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1460.516368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.516368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.516368 (E_RNA) where: Base-Base interactions energy: -979.869 where: short stacking energy: -416.880 Base-Backbone interact. energy: -2.315 local terms energy: -478.331778 where: bonds (distance) C4'-P energy: -94.478 bonds (distance) P-C4' energy: -100.428 flat angles C4'-P-C4' energy: -104.278 flat angles P-C4'-P energy: -76.099 tors. eta vs tors. theta energy: -103.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1452.189269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.189269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.189269 (E_RNA) where: Base-Base interactions energy: -1005.008 where: short stacking energy: -421.514 Base-Backbone interact. energy: -0.322 local terms energy: -446.859144 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -94.662 flat angles C4'-P-C4' energy: -103.366 flat angles P-C4'-P energy: -65.726 tors. eta vs tors. theta energy: -112.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1161.929312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.929312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.929312 (E_RNA) where: Base-Base interactions energy: -753.725 where: short stacking energy: -335.877 Base-Backbone interact. energy: -1.628 local terms energy: -406.576089 where: bonds (distance) C4'-P energy: -84.621 bonds (distance) P-C4' energy: -97.782 flat angles C4'-P-C4' energy: -85.241 flat angles P-C4'-P energy: -64.807 tors. eta vs tors. theta energy: -74.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -740.198906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.198906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.198906 (E_RNA) where: Base-Base interactions energy: -422.160 where: short stacking energy: -190.159 Base-Backbone interact. energy: -1.997 local terms energy: -316.042138 where: bonds (distance) C4'-P energy: -92.927 bonds (distance) P-C4' energy: -95.008 flat angles C4'-P-C4' energy: -78.241 flat angles P-C4'-P energy: -39.537 tors. eta vs tors. theta energy: -10.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -457.293184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.293184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.293184 (E_RNA) where: Base-Base interactions energy: -178.363 where: short stacking energy: -131.030 Base-Backbone interact. energy: -1.705 local terms energy: -277.225976 where: bonds (distance) C4'-P energy: -81.970 bonds (distance) P-C4' energy: -93.578 flat angles C4'-P-C4' energy: -77.078 flat angles P-C4'-P energy: -47.417 tors. eta vs tors. theta energy: 22.818 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: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1968.010987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.010987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.010987 (E_RNA) where: Base-Base interactions energy: -1362.379 where: short stacking energy: -597.556 Base-Backbone interact. energy: -0.722 local terms energy: -604.910201 where: bonds (distance) C4'-P energy: -108.825 bonds (distance) P-C4' energy: -106.398 flat angles C4'-P-C4' energy: -126.069 flat angles P-C4'-P energy: -80.962 tors. eta vs tors. theta energy: -182.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1840.556060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.556060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.556060 (E_RNA) where: Base-Base interactions energy: -1261.376 where: short stacking energy: -523.419 Base-Backbone interact. energy: -3.664 local terms energy: -575.516403 where: bonds (distance) C4'-P energy: -106.785 bonds (distance) P-C4' energy: -102.265 flat angles C4'-P-C4' energy: -116.580 flat angles P-C4'-P energy: -85.863 tors. eta vs tors. theta energy: -164.024 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: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1636.598432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.598432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.598432 (E_RNA) where: Base-Base interactions energy: -1117.784 where: short stacking energy: -472.548 Base-Backbone interact. energy: 0.712 local terms energy: -519.526629 where: bonds (distance) C4'-P energy: -95.601 bonds (distance) P-C4' energy: -89.203 flat angles C4'-P-C4' energy: -124.853 flat angles P-C4'-P energy: -81.625 tors. eta vs tors. theta energy: -128.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1699.111706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.111706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.111706 (E_RNA) where: Base-Base interactions energy: -1162.731 where: short stacking energy: -498.283 Base-Backbone interact. energy: -3.748 local terms energy: -532.633150 where: bonds (distance) C4'-P energy: -93.046 bonds (distance) P-C4' energy: -90.104 flat angles C4'-P-C4' energy: -118.282 flat angles P-C4'-P energy: -74.536 tors. eta vs tors. theta energy: -156.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1599.634644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.634644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.634644 (E_RNA) where: Base-Base interactions energy: -1075.870 where: short stacking energy: -477.135 Base-Backbone interact. energy: 2.098 local terms energy: -525.862407 where: bonds (distance) C4'-P energy: -100.011 bonds (distance) P-C4' energy: -97.109 flat angles C4'-P-C4' energy: -111.959 flat angles P-C4'-P energy: -71.024 tors. eta vs tors. theta energy: -145.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1582.546066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.546066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.546066 (E_RNA) where: Base-Base interactions energy: -1067.434 where: short stacking energy: -467.836 Base-Backbone interact. energy: -3.953 local terms energy: -511.159086 where: bonds (distance) C4'-P energy: -86.039 bonds (distance) P-C4' energy: -104.535 flat angles C4'-P-C4' energy: -117.091 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -133.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1420.210949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.210949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.210949 (E_RNA) where: Base-Base interactions energy: -962.570 where: short stacking energy: -403.099 Base-Backbone interact. energy: -1.384 local terms energy: -456.256514 where: bonds (distance) C4'-P energy: -92.349 bonds (distance) P-C4' energy: -88.508 flat angles C4'-P-C4' energy: -111.379 flat angles P-C4'-P energy: -59.386 tors. eta vs tors. theta energy: -104.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1127.442847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.442847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.442847 (E_RNA) where: Base-Base interactions energy: -717.740 where: short stacking energy: -306.424 Base-Backbone interact. energy: -1.396 local terms energy: -408.306786 where: bonds (distance) C4'-P energy: -91.134 bonds (distance) P-C4' energy: -90.317 flat angles C4'-P-C4' energy: -88.876 flat angles P-C4'-P energy: -65.165 tors. eta vs tors. theta energy: -72.815 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: 387 Temperature: 1.300000 Total energy: -786.348890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.348890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.348890 (E_RNA) where: Base-Base interactions energy: -434.890 where: short stacking energy: -213.557 Base-Backbone interact. energy: -0.773 local terms energy: -350.685970 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -86.945 flat angles C4'-P-C4' energy: -109.879 flat angles P-C4'-P energy: -49.741 tors. eta vs tors. theta energy: -22.055 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: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -433.428270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.428270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.428270 (E_RNA) where: Base-Base interactions energy: -170.363 where: short stacking energy: -137.605 Base-Backbone interact. energy: -1.795 local terms energy: -261.270521 where: bonds (distance) C4'-P energy: -88.800 bonds (distance) P-C4' energy: -87.526 flat angles C4'-P-C4' energy: -77.377 flat angles P-C4'-P energy: -42.453 tors. eta vs tors. theta energy: 34.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1932.319224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.319224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.319224 (E_RNA) where: Base-Base interactions energy: -1358.257 where: short stacking energy: -587.812 Base-Backbone interact. energy: -2.729 local terms energy: -571.333479 where: bonds (distance) C4'-P energy: -112.023 bonds (distance) P-C4' energy: -105.507 flat angles C4'-P-C4' energy: -124.563 flat angles P-C4'-P energy: -70.661 tors. eta vs tors. theta energy: -158.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1867.289668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.289668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.289668 (E_RNA) where: Base-Base interactions energy: -1274.160 where: short stacking energy: -559.402 Base-Backbone interact. energy: -2.730 local terms energy: -590.399756 where: bonds (distance) C4'-P energy: -105.883 bonds (distance) P-C4' energy: -123.125 flat angles C4'-P-C4' energy: -109.450 flat angles P-C4'-P energy: -85.031 tors. eta vs tors. theta energy: -166.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1701.656967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.656967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.656967 (E_RNA) where: Base-Base interactions energy: -1176.959 where: short stacking energy: -504.684 Base-Backbone interact. energy: -1.757 local terms energy: -522.940658 where: bonds (distance) C4'-P energy: -101.857 bonds (distance) P-C4' energy: -105.185 flat angles C4'-P-C4' energy: -114.894 flat angles P-C4'-P energy: -68.136 tors. eta vs tors. theta energy: -132.870 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: 10 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1628.675829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.675829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.675829 (E_RNA) where: Base-Base interactions energy: -1095.652 where: short stacking energy: -460.886 Base-Backbone interact. energy: 0.020 local terms energy: -533.044408 where: bonds (distance) C4'-P energy: -99.455 bonds (distance) P-C4' energy: -112.313 flat angles C4'-P-C4' energy: -106.491 flat angles P-C4'-P energy: -87.003 tors. eta vs tors. theta energy: -127.782 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: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1603.042815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.042815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.042815 (E_RNA) where: Base-Base interactions energy: -1078.144 where: short stacking energy: -492.086 Base-Backbone interact. energy: -2.515 local terms energy: -522.383522 where: bonds (distance) C4'-P energy: -105.616 bonds (distance) P-C4' energy: -90.693 flat angles C4'-P-C4' energy: -109.521 flat angles P-C4'-P energy: -81.946 tors. eta vs tors. theta energy: -134.607 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: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1532.347440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.347440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.347440 (E_RNA) where: Base-Base interactions energy: -1060.483 where: short stacking energy: -437.794 Base-Backbone interact. energy: 0.336 local terms energy: -472.200744 where: bonds (distance) C4'-P energy: -82.020 bonds (distance) P-C4' energy: -97.611 flat angles C4'-P-C4' energy: -108.928 flat angles P-C4'-P energy: -56.332 tors. eta vs tors. theta energy: -127.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1420.824257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.824257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.824257 (E_RNA) where: Base-Base interactions energy: -938.133 where: short stacking energy: -416.452 Base-Backbone interact. energy: -1.690 local terms energy: -481.000955 where: bonds (distance) C4'-P energy: -89.378 bonds (distance) P-C4' energy: -101.109 flat angles C4'-P-C4' energy: -117.853 flat angles P-C4'-P energy: -71.375 tors. eta vs tors. theta energy: -101.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1146.645889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.645889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.645889 (E_RNA) where: Base-Base interactions energy: -735.620 where: short stacking energy: -327.484 Base-Backbone interact. energy: 0.170 local terms energy: -411.195837 where: bonds (distance) C4'-P energy: -68.340 bonds (distance) P-C4' energy: -94.299 flat angles C4'-P-C4' energy: -97.981 flat angles P-C4'-P energy: -73.489 tors. eta vs tors. theta energy: -77.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -822.704383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.704383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.704383 (E_RNA) where: Base-Base interactions energy: -462.957 where: short stacking energy: -220.955 Base-Backbone interact. energy: -1.491 local terms energy: -358.257254 where: bonds (distance) C4'-P energy: -83.430 bonds (distance) P-C4' energy: -100.194 flat angles C4'-P-C4' energy: -78.328 flat angles P-C4'-P energy: -70.451 tors. eta vs tors. theta energy: -25.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -445.598370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.598370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.598370 (E_RNA) where: Base-Base interactions energy: -156.324 where: short stacking energy: -136.849 Base-Backbone interact. energy: -1.396 local terms energy: -287.878108 where: bonds (distance) C4'-P energy: -84.959 bonds (distance) P-C4' energy: -98.492 flat angles C4'-P-C4' energy: -73.958 flat angles P-C4'-P energy: -31.785 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: 7 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1919.212988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.212988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.212988 (E_RNA) where: Base-Base interactions energy: -1334.629 where: short stacking energy: -574.869 Base-Backbone interact. energy: -1.190 local terms energy: -583.394092 where: bonds (distance) C4'-P energy: -104.834 bonds (distance) P-C4' energy: -106.888 flat angles C4'-P-C4' energy: -122.574 flat angles P-C4'-P energy: -76.283 tors. eta vs tors. theta energy: -172.815 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: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1850.131396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.131396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.131396 (E_RNA) where: Base-Base interactions energy: -1294.544 where: short stacking energy: -533.655 Base-Backbone interact. energy: -2.539 local terms energy: -553.048044 where: bonds (distance) C4'-P energy: -104.544 bonds (distance) P-C4' energy: -107.766 flat angles C4'-P-C4' energy: -113.018 flat angles P-C4'-P energy: -62.354 tors. eta vs tors. theta energy: -165.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1708.642458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.642458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.642458 (E_RNA) where: Base-Base interactions energy: -1178.984 where: short stacking energy: -502.199 Base-Backbone interact. energy: 2.075 local terms energy: -531.733628 where: bonds (distance) C4'-P energy: -99.305 bonds (distance) P-C4' energy: -103.740 flat angles C4'-P-C4' energy: -108.819 flat angles P-C4'-P energy: -71.651 tors. eta vs tors. theta energy: -148.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1641.385927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.385927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.385927 (E_RNA) where: Base-Base interactions energy: -1122.026 where: short stacking energy: -469.142 Base-Backbone interact. energy: -1.393 local terms energy: -517.966722 where: bonds (distance) C4'-P energy: -84.216 bonds (distance) P-C4' energy: -116.455 flat angles C4'-P-C4' energy: -115.246 flat angles P-C4'-P energy: -72.448 tors. eta vs tors. theta energy: -129.601 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: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1572.536701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.536701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.536701 (E_RNA) where: Base-Base interactions energy: -1076.137 where: short stacking energy: -454.170 Base-Backbone interact. energy: -0.770 local terms energy: -495.629830 where: bonds (distance) C4'-P energy: -87.179 bonds (distance) P-C4' energy: -111.657 flat angles C4'-P-C4' energy: -114.791 flat angles P-C4'-P energy: -64.623 tors. eta vs tors. theta energy: -117.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1493.693998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.693998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.693998 (E_RNA) where: Base-Base interactions energy: -1019.800 where: short stacking energy: -415.250 Base-Backbone interact. energy: 0.674 local terms energy: -474.567375 where: bonds (distance) C4'-P energy: -78.724 bonds (distance) P-C4' energy: -107.460 flat angles C4'-P-C4' energy: -105.659 flat angles P-C4'-P energy: -58.274 tors. eta vs tors. theta energy: -124.450 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: 2 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1395.051077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.051077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.051077 (E_RNA) where: Base-Base interactions energy: -949.238 where: short stacking energy: -386.077 Base-Backbone interact. energy: -0.073 local terms energy: -445.740118 where: bonds (distance) C4'-P energy: -94.070 bonds (distance) P-C4' energy: -101.248 flat angles C4'-P-C4' energy: -96.589 flat angles P-C4'-P energy: -58.938 tors. eta vs tors. theta energy: -94.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1163.213619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.213619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.213619 (E_RNA) where: Base-Base interactions energy: -756.041 where: short stacking energy: -339.452 Base-Backbone interact. energy: -1.107 local terms energy: -406.065192 where: bonds (distance) C4'-P energy: -93.317 bonds (distance) P-C4' energy: -92.535 flat angles C4'-P-C4' energy: -93.365 flat angles P-C4'-P energy: -56.830 tors. eta vs tors. theta energy: -70.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -835.780261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.780261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.780261 (E_RNA) where: Base-Base interactions energy: -484.672 where: short stacking energy: -246.612 Base-Backbone interact. energy: -1.785 local terms energy: -349.323484 where: bonds (distance) C4'-P energy: -75.971 bonds (distance) P-C4' energy: -92.592 flat angles C4'-P-C4' energy: -88.888 flat angles P-C4'-P energy: -60.045 tors. eta vs tors. theta energy: -31.827 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: 10, replica: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -448.148455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.148455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.148455 (E_RNA) where: Base-Base interactions energy: -172.875 where: short stacking energy: -135.712 Base-Backbone interact. energy: 2.191 local terms energy: -277.465071 where: bonds (distance) C4'-P energy: -89.886 bonds (distance) P-C4' energy: -79.137 flat angles C4'-P-C4' energy: -74.006 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: 11.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1916.520117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.520117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.520117 (E_RNA) where: Base-Base interactions energy: -1319.744 where: short stacking energy: -587.609 Base-Backbone interact. energy: -0.533 local terms energy: -596.243348 where: bonds (distance) C4'-P energy: -110.790 bonds (distance) P-C4' energy: -106.495 flat angles C4'-P-C4' energy: -127.671 flat angles P-C4'-P energy: -75.904 tors. eta vs tors. theta energy: -175.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1847.323441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.323441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.323441 (E_RNA) where: Base-Base interactions energy: -1259.178 where: short stacking energy: -540.665 Base-Backbone interact. energy: -1.066 local terms energy: -587.079472 where: bonds (distance) C4'-P energy: -110.802 bonds (distance) P-C4' energy: -100.787 flat angles C4'-P-C4' energy: -117.353 flat angles P-C4'-P energy: -92.643 tors. eta vs tors. theta energy: -165.495 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: 10 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1696.071952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.071952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.071952 (E_RNA) where: Base-Base interactions energy: -1136.546 where: short stacking energy: -493.976 Base-Backbone interact. energy: -1.869 local terms energy: -557.656715 where: bonds (distance) C4'-P energy: -108.618 bonds (distance) P-C4' energy: -104.557 flat angles C4'-P-C4' energy: -118.553 flat angles P-C4'-P energy: -80.142 tors. eta vs tors. theta energy: -145.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1668.199288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.199288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.199288 (E_RNA) where: Base-Base interactions energy: -1148.674 where: short stacking energy: -486.230 Base-Backbone interact. energy: -2.460 local terms energy: -517.065447 where: bonds (distance) C4'-P energy: -99.637 bonds (distance) P-C4' energy: -99.811 flat angles C4'-P-C4' energy: -102.409 flat angles P-C4'-P energy: -83.397 tors. eta vs tors. theta energy: -131.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1586.631448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.631448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.631448 (E_RNA) where: Base-Base interactions energy: -1109.120 where: short stacking energy: -453.850 Base-Backbone interact. energy: 1.079 local terms energy: -478.590313 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -108.308 flat angles C4'-P-C4' energy: -96.031 flat angles P-C4'-P energy: -67.871 tors. eta vs tors. theta energy: -120.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1509.778767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.778767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.778767 (E_RNA) where: Base-Base interactions energy: -1012.806 where: short stacking energy: -437.755 Base-Backbone interact. energy: -1.190 local terms energy: -495.782888 where: bonds (distance) C4'-P energy: -96.466 bonds (distance) P-C4' energy: -97.329 flat angles C4'-P-C4' energy: -116.979 flat angles P-C4'-P energy: -68.106 tors. eta vs tors. theta energy: -116.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1413.294030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.294030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.294030 (E_RNA) where: Base-Base interactions energy: -932.159 where: short stacking energy: -402.713 Base-Backbone interact. energy: -1.044 local terms energy: -480.091524 where: bonds (distance) C4'-P energy: -97.336 bonds (distance) P-C4' energy: -92.250 flat angles C4'-P-C4' energy: -109.477 flat angles P-C4'-P energy: -71.144 tors. eta vs tors. theta energy: -109.884 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: 8, replica: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1213.734472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.734472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.734472 (E_RNA) where: Base-Base interactions energy: -772.103 where: short stacking energy: -333.783 Base-Backbone interact. energy: 0.761 local terms energy: -442.392251 where: bonds (distance) C4'-P energy: -106.700 bonds (distance) P-C4' energy: -98.226 flat angles C4'-P-C4' energy: -96.498 flat angles P-C4'-P energy: -74.102 tors. eta vs tors. theta energy: -66.866 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: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -817.165939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.165939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.165939 (E_RNA) where: Base-Base interactions energy: -450.784 where: short stacking energy: -217.760 Base-Backbone interact. energy: 0.161 local terms energy: -366.543370 where: bonds (distance) C4'-P energy: -96.915 bonds (distance) P-C4' energy: -93.609 flat angles C4'-P-C4' energy: -89.088 flat angles P-C4'-P energy: -57.823 tors. eta vs tors. theta energy: -29.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -434.417466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.417466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.417466 (E_RNA) where: Base-Base interactions energy: -140.349 where: short stacking energy: -128.064 Base-Backbone interact. energy: 0.059 local terms energy: -294.127198 where: bonds (distance) C4'-P energy: -99.062 bonds (distance) P-C4' energy: -87.613 flat angles C4'-P-C4' energy: -74.599 flat angles P-C4'-P energy: -45.951 tors. eta vs tors. theta energy: 13.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1940.715646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.715646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.715646 (E_RNA) where: Base-Base interactions energy: -1329.486 where: short stacking energy: -572.060 Base-Backbone interact. energy: -1.555 local terms energy: -609.675105 where: bonds (distance) C4'-P energy: -114.535 bonds (distance) P-C4' energy: -119.471 flat angles C4'-P-C4' energy: -123.194 flat angles P-C4'-P energy: -76.588 tors. eta vs tors. theta energy: -175.887 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: 391 Temperature: 0.950000 Total energy: -1844.875379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.875379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.875379 (E_RNA) where: Base-Base interactions energy: -1266.880 where: short stacking energy: -544.211 Base-Backbone interact. energy: -0.121 local terms energy: -577.874624 where: bonds (distance) C4'-P energy: -103.738 bonds (distance) P-C4' energy: -114.031 flat angles C4'-P-C4' energy: -116.250 flat angles P-C4'-P energy: -75.327 tors. eta vs tors. theta energy: -168.527 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: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1677.597408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.597408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.597408 (E_RNA) where: Base-Base interactions energy: -1127.692 where: short stacking energy: -493.548 Base-Backbone interact. energy: -1.925 local terms energy: -547.980005 where: bonds (distance) C4'-P energy: -107.362 bonds (distance) P-C4' energy: -109.458 flat angles C4'-P-C4' energy: -123.440 flat angles P-C4'-P energy: -77.136 tors. eta vs tors. theta energy: -130.584 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: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1715.149686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.149686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.149686 (E_RNA) where: Base-Base interactions energy: -1157.854 where: short stacking energy: -479.073 Base-Backbone interact. energy: -0.583 local terms energy: -556.712778 where: bonds (distance) C4'-P energy: -105.734 bonds (distance) P-C4' energy: -103.043 flat angles C4'-P-C4' energy: -120.228 flat angles P-C4'-P energy: -83.102 tors. eta vs tors. theta energy: -144.606 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: 5, replica: 6 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1604.630684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.630684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.630684 (E_RNA) where: Base-Base interactions energy: -1107.037 where: short stacking energy: -482.640 Base-Backbone interact. energy: -2.678 local terms energy: -494.915510 where: bonds (distance) C4'-P energy: -81.863 bonds (distance) P-C4' energy: -99.108 flat angles C4'-P-C4' energy: -107.968 flat angles P-C4'-P energy: -73.954 tors. eta vs tors. theta energy: -132.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1490.777339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.777339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.777339 (E_RNA) where: Base-Base interactions energy: -1019.559 where: short stacking energy: -451.345 Base-Backbone interact. energy: -0.543 local terms energy: -470.675462 where: bonds (distance) C4'-P energy: -98.269 bonds (distance) P-C4' energy: -84.723 flat angles C4'-P-C4' energy: -100.696 flat angles P-C4'-P energy: -61.120 tors. eta vs tors. theta energy: -125.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1386.810891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.810891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.810891 (E_RNA) where: Base-Base interactions energy: -918.170 where: short stacking energy: -393.088 Base-Backbone interact. energy: -2.398 local terms energy: -466.243016 where: bonds (distance) C4'-P energy: -99.111 bonds (distance) P-C4' energy: -105.032 flat angles C4'-P-C4' energy: -98.691 flat angles P-C4'-P energy: -63.416 tors. eta vs tors. theta energy: -99.993 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: 391 Temperature: 1.250000 Total energy: -1236.976836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.976836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.976836 (E_RNA) where: Base-Base interactions energy: -815.563 where: short stacking energy: -345.295 Base-Backbone interact. energy: -2.557 local terms energy: -418.856628 where: bonds (distance) C4'-P energy: -97.194 bonds (distance) P-C4' energy: -89.571 flat angles C4'-P-C4' energy: -95.655 flat angles P-C4'-P energy: -54.081 tors. eta vs tors. theta energy: -82.355 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: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -787.841615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.841615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.841615 (E_RNA) where: Base-Base interactions energy: -449.864 where: short stacking energy: -226.704 Base-Backbone interact. energy: 1.132 local terms energy: -339.110516 where: bonds (distance) C4'-P energy: -77.113 bonds (distance) P-C4' energy: -93.757 flat angles C4'-P-C4' energy: -74.722 flat angles P-C4'-P energy: -57.929 tors. eta vs tors. theta energy: -35.590 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: 8 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -428.312692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.312692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.312692 (E_RNA) where: Base-Base interactions energy: -147.212 where: short stacking energy: -113.229 Base-Backbone interact. energy: -1.484 local terms energy: -279.616250 where: bonds (distance) C4'-P energy: -92.428 bonds (distance) P-C4' energy: -89.721 flat angles C4'-P-C4' energy: -87.090 flat angles P-C4'-P energy: -36.964 tors. eta vs tors. theta energy: 26.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1940.802336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.802336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.802336 (E_RNA) where: Base-Base interactions energy: -1352.126 where: short stacking energy: -573.401 Base-Backbone interact. energy: -2.553 local terms energy: -586.123608 where: bonds (distance) C4'-P energy: -105.903 bonds (distance) P-C4' energy: -107.627 flat angles C4'-P-C4' energy: -121.894 flat angles P-C4'-P energy: -76.620 tors. eta vs tors. theta energy: -174.080 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: 2, replica: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1836.951930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.951930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.951930 (E_RNA) where: Base-Base interactions energy: -1236.388 where: short stacking energy: -549.432 Base-Backbone interact. energy: -2.734 local terms energy: -597.829970 where: bonds (distance) C4'-P energy: -115.461 bonds (distance) P-C4' energy: -104.333 flat angles C4'-P-C4' energy: -120.248 flat angles P-C4'-P energy: -90.036 tors. eta vs tors. theta energy: -167.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1677.833771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.833771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.833771 (E_RNA) where: Base-Base interactions energy: -1138.698 where: short stacking energy: -485.286 Base-Backbone interact. energy: -2.419 local terms energy: -536.716841 where: bonds (distance) C4'-P energy: -99.018 bonds (distance) P-C4' energy: -112.100 flat angles C4'-P-C4' energy: -115.737 flat angles P-C4'-P energy: -81.188 tors. eta vs tors. theta energy: -128.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1695.524662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.524662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.524662 (E_RNA) where: Base-Base interactions energy: -1165.697 where: short stacking energy: -484.968 Base-Backbone interact. energy: -3.196 local terms energy: -526.631532 where: bonds (distance) C4'-P energy: -100.029 bonds (distance) P-C4' energy: -93.800 flat angles C4'-P-C4' energy: -113.768 flat angles P-C4'-P energy: -74.978 tors. eta vs tors. theta energy: -144.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1577.467299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.467299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.467299 (E_RNA) where: Base-Base interactions energy: -1107.103 where: short stacking energy: -472.891 Base-Backbone interact. energy: 1.295 local terms energy: -471.659916 where: bonds (distance) C4'-P energy: -95.375 bonds (distance) P-C4' energy: -89.410 flat angles C4'-P-C4' energy: -101.684 flat angles P-C4'-P energy: -62.377 tors. eta vs tors. theta energy: -122.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1483.086107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.086107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.086107 (E_RNA) where: Base-Base interactions energy: -1013.531 where: short stacking energy: -434.560 Base-Backbone interact. energy: 1.391 local terms energy: -470.946164 where: bonds (distance) C4'-P energy: -89.545 bonds (distance) P-C4' energy: -88.873 flat angles C4'-P-C4' energy: -98.567 flat angles P-C4'-P energy: -69.122 tors. eta vs tors. theta energy: -124.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1398.997667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.997667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.997667 (E_RNA) where: Base-Base interactions energy: -941.042 where: short stacking energy: -415.851 Base-Backbone interact. energy: 1.884 local terms energy: -459.839743 where: bonds (distance) C4'-P energy: -94.155 bonds (distance) P-C4' energy: -93.617 flat angles C4'-P-C4' energy: -96.775 flat angles P-C4'-P energy: -67.520 tors. eta vs tors. theta energy: -107.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1288.690023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.690023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.690023 (E_RNA) where: Base-Base interactions energy: -823.647 where: short stacking energy: -378.240 Base-Backbone interact. energy: -1.471 local terms energy: -463.572614 where: bonds (distance) C4'-P energy: -83.939 bonds (distance) P-C4' energy: -105.165 flat angles C4'-P-C4' energy: -104.695 flat angles P-C4'-P energy: -63.867 tors. eta vs tors. theta energy: -105.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -808.035502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.035502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.035502 (E_RNA) where: Base-Base interactions energy: -475.641 where: short stacking energy: -230.121 Base-Backbone interact. energy: 3.671 local terms energy: -336.065542 where: bonds (distance) C4'-P energy: -92.908 bonds (distance) P-C4' energy: -100.502 flat angles C4'-P-C4' energy: -83.871 flat angles P-C4'-P energy: -41.739 tors. eta vs tors. theta energy: -17.045 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: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -481.630170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.630170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.630170 (E_RNA) where: Base-Base interactions energy: -204.548 where: short stacking energy: -135.850 Base-Backbone interact. energy: 2.498 local terms energy: -279.580534 where: bonds (distance) C4'-P energy: -82.787 bonds (distance) P-C4' energy: -88.189 flat angles C4'-P-C4' energy: -70.549 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: 9.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1896.123555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.123555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.123555 (E_RNA) where: Base-Base interactions energy: -1283.315 where: short stacking energy: -551.920 Base-Backbone interact. energy: -2.872 local terms energy: -609.935907 where: bonds (distance) C4'-P energy: -107.648 bonds (distance) P-C4' energy: -123.749 flat angles C4'-P-C4' energy: -124.267 flat angles P-C4'-P energy: -88.399 tors. eta vs tors. theta energy: -165.873 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: 393 Temperature: 0.950000 Total energy: -1816.658084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.658084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.658084 (E_RNA) where: Base-Base interactions energy: -1240.223 where: short stacking energy: -521.857 Base-Backbone interact. energy: -2.309 local terms energy: -574.126156 where: bonds (distance) C4'-P energy: -110.739 bonds (distance) P-C4' energy: -102.302 flat angles C4'-P-C4' energy: -122.453 flat angles P-C4'-P energy: -77.261 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: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1692.901272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.901272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.901272 (E_RNA) where: Base-Base interactions energy: -1147.520 where: short stacking energy: -497.257 Base-Backbone interact. energy: 1.106 local terms energy: -546.487799 where: bonds (distance) C4'-P energy: -106.006 bonds (distance) P-C4' energy: -91.957 flat angles C4'-P-C4' energy: -125.768 flat angles P-C4'-P energy: -80.106 tors. eta vs tors. theta energy: -142.651 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: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1667.613046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.613046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.613046 (E_RNA) where: Base-Base interactions energy: -1132.856 where: short stacking energy: -463.035 Base-Backbone interact. energy: -1.894 local terms energy: -532.863350 where: bonds (distance) C4'-P energy: -91.079 bonds (distance) P-C4' energy: -100.543 flat angles C4'-P-C4' energy: -121.063 flat angles P-C4'-P energy: -82.151 tors. eta vs tors. theta energy: -138.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1588.656266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.656266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.656266 (E_RNA) where: Base-Base interactions energy: -1101.190 where: short stacking energy: -465.965 Base-Backbone interact. energy: -1.052 local terms energy: -486.414766 where: bonds (distance) C4'-P energy: -100.770 bonds (distance) P-C4' energy: -96.284 flat angles C4'-P-C4' energy: -113.244 flat angles P-C4'-P energy: -58.880 tors. eta vs tors. theta energy: -117.236 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: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1507.203330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.203330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.203330 (E_RNA) where: Base-Base interactions energy: -1024.804 where: short stacking energy: -436.893 Base-Backbone interact. energy: -2.933 local terms energy: -479.466105 where: bonds (distance) C4'-P energy: -97.096 bonds (distance) P-C4' energy: -96.663 flat angles C4'-P-C4' energy: -103.142 flat angles P-C4'-P energy: -67.079 tors. eta vs tors. theta energy: -115.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1373.968220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.968220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.968220 (E_RNA) where: Base-Base interactions energy: -916.345 where: short stacking energy: -390.320 Base-Backbone interact. energy: -0.422 local terms energy: -457.200783 where: bonds (distance) C4'-P energy: -94.864 bonds (distance) P-C4' energy: -97.459 flat angles C4'-P-C4' energy: -105.211 flat angles P-C4'-P energy: -66.493 tors. eta vs tors. theta energy: -93.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1219.884758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.884758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.884758 (E_RNA) where: Base-Base interactions energy: -823.132 where: short stacking energy: -358.334 Base-Backbone interact. energy: 1.126 local terms energy: -397.878595 where: bonds (distance) C4'-P energy: -76.099 bonds (distance) P-C4' energy: -72.172 flat angles C4'-P-C4' energy: -110.769 flat angles P-C4'-P energy: -60.067 tors. eta vs tors. theta energy: -78.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -775.152609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.152609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.152609 (E_RNA) where: Base-Base interactions energy: -446.429 where: short stacking energy: -229.957 Base-Backbone interact. energy: 3.756 local terms energy: -332.479977 where: bonds (distance) C4'-P energy: -74.838 bonds (distance) P-C4' energy: -81.313 flat angles C4'-P-C4' energy: -93.041 flat angles P-C4'-P energy: -61.984 tors. eta vs tors. theta energy: -21.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -484.422312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.422312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.422312 (E_RNA) where: Base-Base interactions energy: -206.619 where: short stacking energy: -149.706 Base-Backbone interact. energy: -0.579 local terms energy: -277.225250 where: bonds (distance) C4'-P energy: -84.259 bonds (distance) P-C4' energy: -104.562 flat angles C4'-P-C4' energy: -60.308 flat angles P-C4'-P energy: -37.716 tors. eta vs tors. theta energy: 9.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1880.803033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.803033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.803033 (E_RNA) where: Base-Base interactions energy: -1299.010 where: short stacking energy: -559.821 Base-Backbone interact. energy: -3.516 local terms energy: -578.277377 where: bonds (distance) C4'-P energy: -100.801 bonds (distance) P-C4' energy: -109.875 flat angles C4'-P-C4' energy: -121.772 flat angles P-C4'-P energy: -82.506 tors. eta vs tors. theta energy: -163.324 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: 394 Temperature: 0.950000 Total energy: -1837.527307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.527307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.527307 (E_RNA) where: Base-Base interactions energy: -1251.203 where: short stacking energy: -569.101 Base-Backbone interact. energy: -2.915 local terms energy: -583.409699 where: bonds (distance) C4'-P energy: -105.987 bonds (distance) P-C4' energy: -87.136 flat angles C4'-P-C4' energy: -131.404 flat angles P-C4'-P energy: -88.724 tors. eta vs tors. theta energy: -170.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1739.709487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.709487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.709487 (E_RNA) where: Base-Base interactions energy: -1194.071 where: short stacking energy: -503.821 Base-Backbone interact. energy: -3.959 local terms energy: -541.679991 where: bonds (distance) C4'-P energy: -97.973 bonds (distance) P-C4' energy: -93.838 flat angles C4'-P-C4' energy: -121.631 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: -149.490 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: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1676.370497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.370497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.370497 (E_RNA) where: Base-Base interactions energy: -1139.928 where: short stacking energy: -513.010 Base-Backbone interact. energy: 0.537 local terms energy: -536.978937 where: bonds (distance) C4'-P energy: -99.180 bonds (distance) P-C4' energy: -97.328 flat angles C4'-P-C4' energy: -127.949 flat angles P-C4'-P energy: -71.950 tors. eta vs tors. theta energy: -140.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1550.322599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.322599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.322599 (E_RNA) where: Base-Base interactions energy: -1020.228 where: short stacking energy: -436.283 Base-Backbone interact. energy: -0.291 local terms energy: -529.804168 where: bonds (distance) C4'-P energy: -107.052 bonds (distance) P-C4' energy: -111.340 flat angles C4'-P-C4' energy: -116.999 flat angles P-C4'-P energy: -74.396 tors. eta vs tors. theta energy: -120.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1497.454702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.454702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.454702 (E_RNA) where: Base-Base interactions energy: -1012.375 where: short stacking energy: -440.814 Base-Backbone interact. energy: 1.925 local terms energy: -487.005133 where: bonds (distance) C4'-P energy: -90.961 bonds (distance) P-C4' energy: -95.407 flat angles C4'-P-C4' energy: -103.489 flat angles P-C4'-P energy: -70.370 tors. eta vs tors. theta energy: -126.778 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: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1340.335265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.335265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.335265 (E_RNA) where: Base-Base interactions energy: -895.119 where: short stacking energy: -396.951 Base-Backbone interact. energy: 0.922 local terms energy: -446.138361 where: bonds (distance) C4'-P energy: -100.614 bonds (distance) P-C4' energy: -88.635 flat angles C4'-P-C4' energy: -98.499 flat angles P-C4'-P energy: -60.617 tors. eta vs tors. theta energy: -97.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1188.538884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.538884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.538884 (E_RNA) where: Base-Base interactions energy: -776.214 where: short stacking energy: -333.162 Base-Backbone interact. energy: 3.392 local terms energy: -415.717388 where: bonds (distance) C4'-P energy: -81.297 bonds (distance) P-C4' energy: -102.615 flat angles C4'-P-C4' energy: -112.110 flat angles P-C4'-P energy: -53.641 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: 9, replica: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -757.765723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.765723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.765723 (E_RNA) where: Base-Base interactions energy: -424.546 where: short stacking energy: -217.432 Base-Backbone interact. energy: -0.232 local terms energy: -332.987762 where: bonds (distance) C4'-P energy: -90.907 bonds (distance) P-C4' energy: -98.409 flat angles C4'-P-C4' energy: -80.946 flat angles P-C4'-P energy: -42.710 tors. eta vs tors. theta energy: -20.015 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: 8 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -420.180678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.180678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.180678 (E_RNA) where: Base-Base interactions energy: -164.487 where: short stacking energy: -119.728 Base-Backbone interact. energy: 0.138 local terms energy: -255.831977 where: bonds (distance) C4'-P energy: -66.897 bonds (distance) P-C4' energy: -107.303 flat angles C4'-P-C4' energy: -81.450 flat angles P-C4'-P energy: -22.570 tors. eta vs tors. theta energy: 22.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1909.061607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.061607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.061607 (E_RNA) where: Base-Base interactions energy: -1319.982 where: short stacking energy: -560.604 Base-Backbone interact. energy: 1.472 local terms energy: -590.551140 where: bonds (distance) C4'-P energy: -112.270 bonds (distance) P-C4' energy: -111.553 flat angles C4'-P-C4' energy: -121.330 flat angles P-C4'-P energy: -85.600 tors. eta vs tors. theta energy: -159.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1836.970135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.970135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.970135 (E_RNA) where: Base-Base interactions energy: -1254.150 where: short stacking energy: -546.211 Base-Backbone interact. energy: -2.619 local terms energy: -580.201150 where: bonds (distance) C4'-P energy: -98.425 bonds (distance) P-C4' energy: -112.027 flat angles C4'-P-C4' energy: -129.781 flat angles P-C4'-P energy: -75.474 tors. eta vs tors. theta energy: -164.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1780.523173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.523173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.523173 (E_RNA) where: Base-Base interactions energy: -1195.422 where: short stacking energy: -506.936 Base-Backbone interact. energy: -2.277 local terms energy: -582.824667 where: bonds (distance) C4'-P energy: -107.674 bonds (distance) P-C4' energy: -110.311 flat angles C4'-P-C4' energy: -118.878 flat angles P-C4'-P energy: -89.624 tors. eta vs tors. theta energy: -156.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1611.931618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.931618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.931618 (E_RNA) where: Base-Base interactions energy: -1086.857 where: short stacking energy: -513.322 Base-Backbone interact. energy: 1.567 local terms energy: -526.642382 where: bonds (distance) C4'-P energy: -94.482 bonds (distance) P-C4' energy: -104.478 flat angles C4'-P-C4' energy: -109.955 flat angles P-C4'-P energy: -75.612 tors. eta vs tors. theta energy: -142.116 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: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1582.756516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.756516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.756516 (E_RNA) where: Base-Base interactions energy: -1065.142 where: short stacking energy: -457.960 Base-Backbone interact. energy: 0.888 local terms energy: -518.502528 where: bonds (distance) C4'-P energy: -95.464 bonds (distance) P-C4' energy: -106.720 flat angles C4'-P-C4' energy: -128.414 flat angles P-C4'-P energy: -68.962 tors. eta vs tors. theta energy: -118.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1524.185573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.185573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.185573 (E_RNA) where: Base-Base interactions energy: -1000.128 where: short stacking energy: -437.443 Base-Backbone interact. energy: 1.159 local terms energy: -525.216631 where: bonds (distance) C4'-P energy: -107.405 bonds (distance) P-C4' energy: -96.871 flat angles C4'-P-C4' energy: -107.187 flat angles P-C4'-P energy: -79.255 tors. eta vs tors. theta energy: -134.498 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: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1365.986325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.986325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.986325 (E_RNA) where: Base-Base interactions energy: -913.158 where: short stacking energy: -376.800 Base-Backbone interact. energy: 2.948 local terms energy: -455.776446 where: bonds (distance) C4'-P energy: -99.514 bonds (distance) P-C4' energy: -94.407 flat angles C4'-P-C4' energy: -106.892 flat angles P-C4'-P energy: -66.948 tors. eta vs tors. theta energy: -88.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1215.891366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.891366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.891366 (E_RNA) where: Base-Base interactions energy: -802.071 where: short stacking energy: -352.416 Base-Backbone interact. energy: -1.861 local terms energy: -411.959395 where: bonds (distance) C4'-P energy: -93.848 bonds (distance) P-C4' energy: -84.163 flat angles C4'-P-C4' energy: -98.133 flat angles P-C4'-P energy: -61.824 tors. eta vs tors. theta energy: -73.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -785.299800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.299800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.299800 (E_RNA) where: Base-Base interactions energy: -427.462 where: short stacking energy: -234.279 Base-Backbone interact. energy: 1.994 local terms energy: -359.831980 where: bonds (distance) C4'-P energy: -96.583 bonds (distance) P-C4' energy: -97.878 flat angles C4'-P-C4' energy: -74.014 flat angles P-C4'-P energy: -70.557 tors. eta vs tors. theta energy: -20.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -489.099175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.099175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.099175 (E_RNA) where: Base-Base interactions energy: -206.125 where: short stacking energy: -124.022 Base-Backbone interact. energy: 2.346 local terms energy: -285.320544 where: bonds (distance) C4'-P energy: -88.326 bonds (distance) P-C4' energy: -87.606 flat angles C4'-P-C4' energy: -84.387 flat angles P-C4'-P energy: -49.360 tors. eta vs tors. theta energy: 24.358 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: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1945.214719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.214719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.214719 (E_RNA) where: Base-Base interactions energy: -1346.822 where: short stacking energy: -575.571 Base-Backbone interact. energy: -4.612 local terms energy: -593.780681 where: bonds (distance) C4'-P energy: -104.626 bonds (distance) P-C4' energy: -97.362 flat angles C4'-P-C4' energy: -130.042 flat angles P-C4'-P energy: -89.924 tors. eta vs tors. theta energy: -171.827 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: 396 Temperature: 0.950000 Total energy: -1854.962944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.962944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.962944 (E_RNA) where: Base-Base interactions energy: -1286.395 where: short stacking energy: -557.069 Base-Backbone interact. energy: -3.919 local terms energy: -564.648873 where: bonds (distance) C4'-P energy: -109.006 bonds (distance) P-C4' energy: -95.664 flat angles C4'-P-C4' energy: -116.786 flat angles P-C4'-P energy: -82.261 tors. eta vs tors. theta energy: -160.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1787.899797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.899797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.899797 (E_RNA) where: Base-Base interactions energy: -1228.726 where: short stacking energy: -515.740 Base-Backbone interact. energy: 3.078 local terms energy: -562.251178 where: bonds (distance) C4'-P energy: -93.918 bonds (distance) P-C4' energy: -105.457 flat angles C4'-P-C4' energy: -131.821 flat angles P-C4'-P energy: -83.043 tors. eta vs tors. theta energy: -148.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1616.147503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.147503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.147503 (E_RNA) where: Base-Base interactions energy: -1103.316 where: short stacking energy: -467.642 Base-Backbone interact. energy: -1.039 local terms energy: -511.792499 where: bonds (distance) C4'-P energy: -84.137 bonds (distance) P-C4' energy: -105.941 flat angles C4'-P-C4' energy: -109.234 flat angles P-C4'-P energy: -80.750 tors. eta vs tors. theta energy: -131.731 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: 5, replica: 4 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1593.895993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.895993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.895993 (E_RNA) where: Base-Base interactions energy: -1074.367 where: short stacking energy: -473.989 Base-Backbone interact. energy: -1.258 local terms energy: -518.270812 where: bonds (distance) C4'-P energy: -103.525 bonds (distance) P-C4' energy: -94.924 flat angles C4'-P-C4' energy: -105.438 flat angles P-C4'-P energy: -80.929 tors. eta vs tors. theta energy: -133.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1504.321680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.321680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.321680 (E_RNA) where: Base-Base interactions energy: -1009.246 where: short stacking energy: -440.477 Base-Backbone interact. energy: -1.144 local terms energy: -493.931883 where: bonds (distance) C4'-P energy: -92.832 bonds (distance) P-C4' energy: -99.680 flat angles C4'-P-C4' energy: -102.486 flat angles P-C4'-P energy: -77.270 tors. eta vs tors. theta energy: -121.664 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: 7, replica: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1415.619579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.619579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.619579 (E_RNA) where: Base-Base interactions energy: -939.730 where: short stacking energy: -409.323 Base-Backbone interact. energy: -0.827 local terms energy: -475.062919 where: bonds (distance) C4'-P energy: -89.409 bonds (distance) P-C4' energy: -103.418 flat angles C4'-P-C4' energy: -96.658 flat angles P-C4'-P energy: -81.367 tors. eta vs tors. theta energy: -104.211 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: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1220.391208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.391208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.391208 (E_RNA) where: Base-Base interactions energy: -792.365 where: short stacking energy: -357.095 Base-Backbone interact. energy: -0.710 local terms energy: -427.315957 where: bonds (distance) C4'-P energy: -74.886 bonds (distance) P-C4' energy: -101.966 flat angles C4'-P-C4' energy: -101.558 flat angles P-C4'-P energy: -59.495 tors. eta vs tors. theta energy: -89.411 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: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -749.597777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.597777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.597777 (E_RNA) where: Base-Base interactions energy: -427.143 where: short stacking energy: -201.203 Base-Backbone interact. energy: -2.084 local terms energy: -320.371115 where: bonds (distance) C4'-P energy: -94.275 bonds (distance) P-C4' energy: -82.258 flat angles C4'-P-C4' energy: -87.397 flat angles P-C4'-P energy: -42.742 tors. eta vs tors. theta energy: -13.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -472.147374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.147374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.147374 (E_RNA) where: Base-Base interactions energy: -200.411 where: short stacking energy: -140.708 Base-Backbone interact. energy: 0.742 local terms energy: -272.478940 where: bonds (distance) C4'-P energy: -78.381 bonds (distance) P-C4' energy: -96.209 flat angles C4'-P-C4' energy: -73.880 flat angles P-C4'-P energy: -47.300 tors. eta vs tors. theta energy: 23.292 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: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1969.548089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.548089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.548089 (E_RNA) where: Base-Base interactions energy: -1370.413 where: short stacking energy: -580.486 Base-Backbone interact. energy: -2.557 local terms energy: -596.578480 where: bonds (distance) C4'-P energy: -100.295 bonds (distance) P-C4' energy: -117.403 flat angles C4'-P-C4' energy: -111.456 flat angles P-C4'-P energy: -93.628 tors. eta vs tors. theta energy: -173.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1824.940002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.940002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.940002 (E_RNA) where: Base-Base interactions energy: -1249.080 where: short stacking energy: -539.529 Base-Backbone interact. energy: -0.615 local terms energy: -575.245439 where: bonds (distance) C4'-P energy: -98.797 bonds (distance) P-C4' energy: -114.442 flat angles C4'-P-C4' energy: -111.050 flat angles P-C4'-P energy: -91.082 tors. eta vs tors. theta energy: -159.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1734.322507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.322507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.322507 (E_RNA) where: Base-Base interactions energy: -1201.034 where: short stacking energy: -507.170 Base-Backbone interact. energy: -3.212 local terms energy: -530.076729 where: bonds (distance) C4'-P energy: -101.638 bonds (distance) P-C4' energy: -112.165 flat angles C4'-P-C4' energy: -107.423 flat angles P-C4'-P energy: -56.321 tors. eta vs tors. theta energy: -152.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1600.219657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.219657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.219657 (E_RNA) where: Base-Base interactions energy: -1085.315 where: short stacking energy: -498.466 Base-Backbone interact. energy: 1.200 local terms energy: -516.104844 where: bonds (distance) C4'-P energy: -100.728 bonds (distance) P-C4' energy: -98.298 flat angles C4'-P-C4' energy: -110.747 flat angles P-C4'-P energy: -74.488 tors. eta vs tors. theta energy: -131.845 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: 4 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1617.942166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.942166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.942166 (E_RNA) where: Base-Base interactions energy: -1108.782 where: short stacking energy: -460.466 Base-Backbone interact. energy: -1.335 local terms energy: -507.825775 where: bonds (distance) C4'-P energy: -81.399 bonds (distance) P-C4' energy: -108.772 flat angles C4'-P-C4' energy: -107.784 flat angles P-C4'-P energy: -79.171 tors. eta vs tors. theta energy: -130.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1476.664802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.664802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.664802 (E_RNA) where: Base-Base interactions energy: -1014.732 where: short stacking energy: -440.990 Base-Backbone interact. energy: -0.860 local terms energy: -461.072305 where: bonds (distance) C4'-P energy: -89.748 bonds (distance) P-C4' energy: -88.672 flat angles C4'-P-C4' energy: -110.319 flat angles P-C4'-P energy: -67.020 tors. eta vs tors. theta energy: -105.314 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: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1422.377622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.377622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.377622 (E_RNA) where: Base-Base interactions energy: -961.274 where: short stacking energy: -427.079 Base-Backbone interact. energy: -1.366 local terms energy: -459.737193 where: bonds (distance) C4'-P energy: -81.620 bonds (distance) P-C4' energy: -89.184 flat angles C4'-P-C4' energy: -107.680 flat angles P-C4'-P energy: -66.393 tors. eta vs tors. theta energy: -114.862 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: 397 Temperature: 1.250000 Total energy: -1188.628912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.628912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.628912 (E_RNA) where: Base-Base interactions energy: -762.452 where: short stacking energy: -331.195 Base-Backbone interact. energy: -1.831 local terms energy: -424.345889 where: bonds (distance) C4'-P energy: -101.107 bonds (distance) P-C4' energy: -100.452 flat angles C4'-P-C4' energy: -96.733 flat angles P-C4'-P energy: -50.278 tors. eta vs tors. theta energy: -75.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -814.826413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.826413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.826413 (E_RNA) where: Base-Base interactions energy: -463.896 where: short stacking energy: -225.930 Base-Backbone interact. energy: 8.353 local terms energy: -359.283178 where: bonds (distance) C4'-P energy: -101.966 bonds (distance) P-C4' energy: -96.874 flat angles C4'-P-C4' energy: -82.080 flat angles P-C4'-P energy: -55.312 tors. eta vs tors. theta energy: -23.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -492.640757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.640757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.640757 (E_RNA) where: Base-Base interactions energy: -223.053 where: short stacking energy: -139.515 Base-Backbone interact. energy: 0.202 local terms energy: -269.789355 where: bonds (distance) C4'-P energy: -91.790 bonds (distance) P-C4' energy: -76.759 flat angles C4'-P-C4' energy: -76.158 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: 21.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1955.356539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.356539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.356539 (E_RNA) where: Base-Base interactions energy: -1372.416 where: short stacking energy: -583.999 Base-Backbone interact. energy: -1.074 local terms energy: -581.866581 where: bonds (distance) C4'-P energy: -105.154 bonds (distance) P-C4' energy: -100.526 flat angles C4'-P-C4' energy: -118.184 flat angles P-C4'-P energy: -91.514 tors. eta vs tors. theta energy: -166.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1881.135209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.135209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.135209 (E_RNA) where: Base-Base interactions energy: -1275.809 where: short stacking energy: -563.535 Base-Backbone interact. energy: -3.768 local terms energy: -601.557857 where: bonds (distance) C4'-P energy: -89.925 bonds (distance) P-C4' energy: -112.819 flat angles C4'-P-C4' energy: -130.696 flat angles P-C4'-P energy: -93.544 tors. eta vs tors. theta energy: -174.574 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: 3 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1785.289290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.289290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.289290 (E_RNA) where: Base-Base interactions energy: -1220.404 where: short stacking energy: -510.547 Base-Backbone interact. energy: -2.717 local terms energy: -562.168944 where: bonds (distance) C4'-P energy: -102.487 bonds (distance) P-C4' energy: -104.649 flat angles C4'-P-C4' energy: -127.905 flat angles P-C4'-P energy: -70.366 tors. eta vs tors. theta energy: -156.763 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: 398 Temperature: 1.050000 Total energy: -1646.540322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.540322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.540322 (E_RNA) where: Base-Base interactions energy: -1129.442 where: short stacking energy: -482.315 Base-Backbone interact. energy: 2.101 local terms energy: -519.199819 where: bonds (distance) C4'-P energy: -105.711 bonds (distance) P-C4' energy: -104.289 flat angles C4'-P-C4' energy: -104.774 flat angles P-C4'-P energy: -74.398 tors. eta vs tors. theta energy: -130.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1652.207720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.207720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.207720 (E_RNA) where: Base-Base interactions energy: -1104.175 where: short stacking energy: -487.823 Base-Backbone interact. energy: -1.295 local terms energy: -546.738209 where: bonds (distance) C4'-P energy: -106.902 bonds (distance) P-C4' energy: -105.871 flat angles C4'-P-C4' energy: -105.218 flat angles P-C4'-P energy: -76.535 tors. eta vs tors. theta energy: -152.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1515.021156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.021156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.021156 (E_RNA) where: Base-Base interactions energy: -1038.430 where: short stacking energy: -441.445 Base-Backbone interact. energy: 0.398 local terms energy: -476.989525 where: bonds (distance) C4'-P energy: -89.956 bonds (distance) P-C4' energy: -92.981 flat angles C4'-P-C4' energy: -111.154 flat angles P-C4'-P energy: -64.821 tors. eta vs tors. theta energy: -118.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1355.029294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.029294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.029294 (E_RNA) where: Base-Base interactions energy: -906.453 where: short stacking energy: -416.005 Base-Backbone interact. energy: -1.406 local terms energy: -447.170446 where: bonds (distance) C4'-P energy: -85.883 bonds (distance) P-C4' energy: -91.072 flat angles C4'-P-C4' energy: -93.082 flat angles P-C4'-P energy: -70.543 tors. eta vs tors. theta energy: -106.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1222.196676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.196676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.196676 (E_RNA) where: Base-Base interactions energy: -842.685 where: short stacking energy: -374.324 Base-Backbone interact. energy: 1.394 local terms energy: -380.905411 where: bonds (distance) C4'-P energy: -79.553 bonds (distance) P-C4' energy: -81.459 flat angles C4'-P-C4' energy: -71.006 flat angles P-C4'-P energy: -52.813 tors. eta vs tors. theta energy: -96.075 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: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -780.307384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.307384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.307384 (E_RNA) where: Base-Base interactions energy: -415.908 where: short stacking energy: -215.128 Base-Backbone interact. energy: -1.442 local terms energy: -362.957261 where: bonds (distance) C4'-P energy: -96.863 bonds (distance) P-C4' energy: -84.967 flat angles C4'-P-C4' energy: -97.862 flat angles P-C4'-P energy: -51.479 tors. eta vs tors. theta energy: -31.787 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: 8 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -535.339110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.339110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.339110 (E_RNA) where: Base-Base interactions energy: -243.622 where: short stacking energy: -142.329 Base-Backbone interact. energy: -1.294 local terms energy: -290.422991 where: bonds (distance) C4'-P energy: -84.801 bonds (distance) P-C4' energy: -105.020 flat angles C4'-P-C4' energy: -79.307 flat angles P-C4'-P energy: -33.018 tors. eta vs tors. theta energy: 11.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1934.111023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.111023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.111023 (E_RNA) where: Base-Base interactions energy: -1361.715 where: short stacking energy: -572.457 Base-Backbone interact. energy: -0.673 local terms energy: -571.723072 where: bonds (distance) C4'-P energy: -101.981 bonds (distance) P-C4' energy: -94.954 flat angles C4'-P-C4' energy: -128.313 flat angles P-C4'-P energy: -81.550 tors. eta vs tors. theta energy: -164.925 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: 2, replica: 5 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1858.514691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.514691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.514691 (E_RNA) where: Base-Base interactions energy: -1276.808 where: short stacking energy: -565.180 Base-Backbone interact. energy: -1.800 local terms energy: -579.906589 where: bonds (distance) C4'-P energy: -92.879 bonds (distance) P-C4' energy: -106.931 flat angles C4'-P-C4' energy: -129.203 flat angles P-C4'-P energy: -86.495 tors. eta vs tors. theta energy: -164.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1755.289724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.289724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.289724 (E_RNA) where: Base-Base interactions energy: -1201.514 where: short stacking energy: -529.492 Base-Backbone interact. energy: -4.157 local terms energy: -549.618915 where: bonds (distance) C4'-P energy: -93.273 bonds (distance) P-C4' energy: -108.930 flat angles C4'-P-C4' energy: -113.170 flat angles P-C4'-P energy: -79.541 tors. eta vs tors. theta energy: -154.705 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: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1623.520631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.520631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.520631 (E_RNA) where: Base-Base interactions energy: -1090.992 where: short stacking energy: -477.449 Base-Backbone interact. energy: 1.425 local terms energy: -533.954241 where: bonds (distance) C4'-P energy: -109.316 bonds (distance) P-C4' energy: -113.042 flat angles C4'-P-C4' energy: -106.920 flat angles P-C4'-P energy: -75.908 tors. eta vs tors. theta energy: -128.767 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: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1675.299933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.299933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.299933 (E_RNA) where: Base-Base interactions energy: -1142.715 where: short stacking energy: -489.092 Base-Backbone interact. energy: -1.954 local terms energy: -530.630668 where: bonds (distance) C4'-P energy: -101.707 bonds (distance) P-C4' energy: -93.054 flat angles C4'-P-C4' energy: -114.842 flat angles P-C4'-P energy: -80.875 tors. eta vs tors. theta energy: -140.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1485.795632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.795632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.795632 (E_RNA) where: Base-Base interactions energy: -1020.682 where: short stacking energy: -448.722 Base-Backbone interact. energy: -1.603 local terms energy: -463.510348 where: bonds (distance) C4'-P energy: -74.882 bonds (distance) P-C4' energy: -98.138 flat angles C4'-P-C4' energy: -103.883 flat angles P-C4'-P energy: -78.145 tors. eta vs tors. theta energy: -108.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1398.044419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.044419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.044419 (E_RNA) where: Base-Base interactions energy: -944.975 where: short stacking energy: -425.504 Base-Backbone interact. energy: -0.816 local terms energy: -452.253006 where: bonds (distance) C4'-P energy: -92.839 bonds (distance) P-C4' energy: -89.820 flat angles C4'-P-C4' energy: -87.586 flat angles P-C4'-P energy: -77.979 tors. eta vs tors. theta energy: -104.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1195.644299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.644299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.644299 (E_RNA) where: Base-Base interactions energy: -786.744 where: short stacking energy: -353.133 Base-Backbone interact. energy: 4.062 local terms energy: -412.962330 where: bonds (distance) C4'-P energy: -82.420 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -90.094 flat angles P-C4'-P energy: -62.020 tors. eta vs tors. theta energy: -81.858 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: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -790.240804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.240804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.240804 (E_RNA) where: Base-Base interactions energy: -469.617 where: short stacking energy: -234.988 Base-Backbone interact. energy: -2.623 local terms energy: -318.000670 where: bonds (distance) C4'-P energy: -86.943 bonds (distance) P-C4' energy: -88.060 flat angles C4'-P-C4' energy: -80.922 flat angles P-C4'-P energy: -45.599 tors. eta vs tors. theta energy: -16.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -490.621408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.621408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.621408 (E_RNA) where: Base-Base interactions energy: -215.647 where: short stacking energy: -152.675 Base-Backbone interact. energy: 7.022 local terms energy: -281.996197 where: bonds (distance) C4'-P energy: -73.599 bonds (distance) P-C4' energy: -94.122 flat angles C4'-P-C4' energy: -76.532 flat angles P-C4'-P energy: -41.391 tors. eta vs tors. theta energy: 3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1945.031647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.031647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.031647 (E_RNA) where: Base-Base interactions energy: -1355.801 where: short stacking energy: -588.152 Base-Backbone interact. energy: -2.291 local terms energy: -586.939519 where: bonds (distance) C4'-P energy: -109.107 bonds (distance) P-C4' energy: -111.394 flat angles C4'-P-C4' energy: -123.542 flat angles P-C4'-P energy: -72.661 tors. eta vs tors. theta energy: -170.234 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: 400 Temperature: 0.950000 Total energy: -1881.991116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.991116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.991116 (E_RNA) where: Base-Base interactions energy: -1289.204 where: short stacking energy: -567.859 Base-Backbone interact. energy: 1.013 local terms energy: -593.800872 where: bonds (distance) C4'-P energy: -96.766 bonds (distance) P-C4' energy: -113.745 flat angles C4'-P-C4' energy: -127.463 flat angles P-C4'-P energy: -82.232 tors. eta vs tors. theta energy: -173.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1773.318183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.318183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.318183 (E_RNA) where: Base-Base interactions energy: -1212.026 where: short stacking energy: -540.033 Base-Backbone interact. energy: -0.875 local terms energy: -560.416727 where: bonds (distance) C4'-P energy: -100.288 bonds (distance) P-C4' energy: -98.499 flat angles C4'-P-C4' energy: -117.662 flat angles P-C4'-P energy: -78.574 tors. eta vs tors. theta energy: -165.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1650.814556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.814556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.814556 (E_RNA) where: Base-Base interactions energy: -1136.842 where: short stacking energy: -492.620 Base-Backbone interact. energy: 0.158 local terms energy: -514.130332 where: bonds (distance) C4'-P energy: -101.160 bonds (distance) P-C4' energy: -98.553 flat angles C4'-P-C4' energy: -103.337 flat angles P-C4'-P energy: -70.741 tors. eta vs tors. theta energy: -140.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1646.911645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.911645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.911645 (E_RNA) where: Base-Base interactions energy: -1136.607 where: short stacking energy: -481.578 Base-Backbone interact. energy: -1.453 local terms energy: -508.852032 where: bonds (distance) C4'-P energy: -91.263 bonds (distance) P-C4' energy: -106.754 flat angles C4'-P-C4' energy: -108.824 flat angles P-C4'-P energy: -67.976 tors. eta vs tors. theta energy: -134.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1506.331809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.331809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.331809 (E_RNA) where: Base-Base interactions energy: -1010.488 where: short stacking energy: -440.814 Base-Backbone interact. energy: -1.096 local terms energy: -494.747614 where: bonds (distance) C4'-P energy: -106.368 bonds (distance) P-C4' energy: -92.156 flat angles C4'-P-C4' energy: -92.459 flat angles P-C4'-P energy: -80.173 tors. eta vs tors. theta energy: -123.591 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: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1392.683244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.683244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.683244 (E_RNA) where: Base-Base interactions energy: -944.766 where: short stacking energy: -360.970 Base-Backbone interact. energy: -2.999 local terms energy: -444.917565 where: bonds (distance) C4'-P energy: -105.344 bonds (distance) P-C4' energy: -87.620 flat angles C4'-P-C4' energy: -114.229 flat angles P-C4'-P energy: -52.784 tors. eta vs tors. theta energy: -84.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1196.008857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.008857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.008857 (E_RNA) where: Base-Base interactions energy: -791.655 where: short stacking energy: -329.865 Base-Backbone interact. energy: 0.056 local terms energy: -404.409918 where: bonds (distance) C4'-P energy: -97.421 bonds (distance) P-C4' energy: -92.741 flat angles C4'-P-C4' energy: -81.731 flat angles P-C4'-P energy: -66.950 tors. eta vs tors. theta energy: -65.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -767.179739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.179739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.179739 (E_RNA) where: Base-Base interactions energy: -427.979 where: short stacking energy: -209.042 Base-Backbone interact. energy: -0.375 local terms energy: -338.826394 where: bonds (distance) C4'-P energy: -85.671 bonds (distance) P-C4' energy: -92.602 flat angles C4'-P-C4' energy: -88.545 flat angles P-C4'-P energy: -58.442 tors. eta vs tors. theta energy: -13.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -498.137902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.137902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.137902 (E_RNA) where: Base-Base interactions energy: -185.100 where: short stacking energy: -143.552 Base-Backbone interact. energy: 1.677 local terms energy: -314.715470 where: bonds (distance) C4'-P energy: -81.120 bonds (distance) P-C4' energy: -90.976 flat angles C4'-P-C4' energy: -90.090 flat angles P-C4'-P energy: -53.025 tors. eta vs tors. theta energy: 0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1942.305948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.305948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.305948 (E_RNA) where: Base-Base interactions energy: -1358.236 where: short stacking energy: -576.632 Base-Backbone interact. energy: -1.330 local terms energy: -582.740014 where: bonds (distance) C4'-P energy: -96.790 bonds (distance) P-C4' energy: -104.334 flat angles C4'-P-C4' energy: -123.569 flat angles P-C4'-P energy: -88.602 tors. eta vs tors. theta energy: -169.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1848.795599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.795599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.795599 (E_RNA) where: Base-Base interactions energy: -1281.220 where: short stacking energy: -551.256 Base-Backbone interact. energy: -1.870 local terms energy: -565.705584 where: bonds (distance) C4'-P energy: -103.370 bonds (distance) P-C4' energy: -103.962 flat angles C4'-P-C4' energy: -123.172 flat angles P-C4'-P energy: -79.181 tors. eta vs tors. theta energy: -156.021 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: 3 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1771.798900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.798900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.798900 (E_RNA) where: Base-Base interactions energy: -1232.030 where: short stacking energy: -537.391 Base-Backbone interact. energy: -2.091 local terms energy: -537.678000 where: bonds (distance) C4'-P energy: -91.155 bonds (distance) P-C4' energy: -101.881 flat angles C4'-P-C4' energy: -107.612 flat angles P-C4'-P energy: -73.056 tors. eta vs tors. theta energy: -163.974 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: 401 Temperature: 1.050000 Total energy: -1682.502095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.502095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.502095 (E_RNA) where: Base-Base interactions energy: -1178.234 where: short stacking energy: -507.701 Base-Backbone interact. energy: -1.586 local terms energy: -502.682571 where: bonds (distance) C4'-P energy: -93.783 bonds (distance) P-C4' energy: -85.135 flat angles C4'-P-C4' energy: -114.243 flat angles P-C4'-P energy: -65.225 tors. eta vs tors. theta energy: -144.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1601.575879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.575879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.575879 (E_RNA) where: Base-Base interactions energy: -1064.135 where: short stacking energy: -466.240 Base-Backbone interact. energy: -0.656 local terms energy: -536.783971 where: bonds (distance) C4'-P energy: -102.169 bonds (distance) P-C4' energy: -115.948 flat angles C4'-P-C4' energy: -117.104 flat angles P-C4'-P energy: -68.649 tors. eta vs tors. theta energy: -132.914 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: 10 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1531.092131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.092131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.092131 (E_RNA) where: Base-Base interactions energy: -1010.680 where: short stacking energy: -442.477 Base-Backbone interact. energy: -0.105 local terms energy: -520.307593 where: bonds (distance) C4'-P energy: -92.598 bonds (distance) P-C4' energy: -105.588 flat angles C4'-P-C4' energy: -113.967 flat angles P-C4'-P energy: -73.576 tors. eta vs tors. theta energy: -134.578 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: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1425.704953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.704953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.704953 (E_RNA) where: Base-Base interactions energy: -969.203 where: short stacking energy: -412.997 Base-Backbone interact. energy: -2.317 local terms energy: -454.185710 where: bonds (distance) C4'-P energy: -94.257 bonds (distance) P-C4' energy: -97.075 flat angles C4'-P-C4' energy: -96.720 flat angles P-C4'-P energy: -63.889 tors. eta vs tors. theta energy: -102.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1197.105621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.105621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.105621 (E_RNA) where: Base-Base interactions energy: -813.880 where: short stacking energy: -373.842 Base-Backbone interact. energy: 1.043 local terms energy: -384.268070 where: bonds (distance) C4'-P energy: -79.256 bonds (distance) P-C4' energy: -95.138 flat angles C4'-P-C4' energy: -86.012 flat angles P-C4'-P energy: -45.400 tors. eta vs tors. theta energy: -78.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -735.981886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.981886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.981886 (E_RNA) where: Base-Base interactions energy: -395.023 where: short stacking energy: -198.226 Base-Backbone interact. energy: -0.939 local terms energy: -340.020332 where: bonds (distance) C4'-P energy: -75.884 bonds (distance) P-C4' energy: -106.022 flat angles C4'-P-C4' energy: -89.348 flat angles P-C4'-P energy: -58.907 tors. eta vs tors. theta energy: -9.860 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: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -533.685060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.685060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.685060 (E_RNA) where: Base-Base interactions energy: -237.730 where: short stacking energy: -153.748 Base-Backbone interact. energy: -0.253 local terms energy: -295.702637 where: bonds (distance) C4'-P energy: -101.165 bonds (distance) P-C4' energy: -84.591 flat angles C4'-P-C4' energy: -61.083 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: 1.575 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: 7 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1959.493475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.493475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.493475 (E_RNA) where: Base-Base interactions energy: -1373.156 where: short stacking energy: -585.042 Base-Backbone interact. energy: 0.720 local terms energy: -587.057926 where: bonds (distance) C4'-P energy: -109.840 bonds (distance) P-C4' energy: -90.176 flat angles C4'-P-C4' energy: -124.413 flat angles P-C4'-P energy: -92.337 tors. eta vs tors. theta energy: -170.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1829.154088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.154088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.154088 (E_RNA) where: Base-Base interactions energy: -1265.633 where: short stacking energy: -553.174 Base-Backbone interact. energy: -3.338 local terms energy: -560.182479 where: bonds (distance) C4'-P energy: -98.396 bonds (distance) P-C4' energy: -91.811 flat angles C4'-P-C4' energy: -118.790 flat angles P-C4'-P energy: -79.583 tors. eta vs tors. theta energy: -171.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1719.475681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.475681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.475681 (E_RNA) where: Base-Base interactions energy: -1169.033 where: short stacking energy: -517.233 Base-Backbone interact. energy: -3.167 local terms energy: -547.275819 where: bonds (distance) C4'-P energy: -103.942 bonds (distance) P-C4' energy: -107.589 flat angles C4'-P-C4' energy: -104.325 flat angles P-C4'-P energy: -73.314 tors. eta vs tors. theta energy: -158.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1714.121288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.121288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.121288 (E_RNA) where: Base-Base interactions energy: -1167.109 where: short stacking energy: -489.337 Base-Backbone interact. energy: -1.770 local terms energy: -545.242238 where: bonds (distance) C4'-P energy: -99.445 bonds (distance) P-C4' energy: -99.614 flat angles C4'-P-C4' energy: -116.527 flat angles P-C4'-P energy: -86.424 tors. eta vs tors. theta energy: -143.232 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: 5, replica: 6 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1568.018450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.018450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.018450 (E_RNA) where: Base-Base interactions energy: -1081.516 where: short stacking energy: -456.345 Base-Backbone interact. energy: -1.952 local terms energy: -484.550077 where: bonds (distance) C4'-P energy: -105.737 bonds (distance) P-C4' energy: -83.404 flat angles C4'-P-C4' energy: -107.500 flat angles P-C4'-P energy: -72.796 tors. eta vs tors. theta energy: -115.113 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: 10 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1522.601028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.601028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.601028 (E_RNA) where: Base-Base interactions energy: -1018.982 where: short stacking energy: -457.943 Base-Backbone interact. energy: -1.171 local terms energy: -502.448283 where: bonds (distance) C4'-P energy: -92.756 bonds (distance) P-C4' energy: -104.041 flat angles C4'-P-C4' energy: -104.389 flat angles P-C4'-P energy: -65.677 tors. eta vs tors. theta energy: -135.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1398.521856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.521856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.521856 (E_RNA) where: Base-Base interactions energy: -936.702 where: short stacking energy: -377.665 Base-Backbone interact. energy: -1.342 local terms energy: -460.478455 where: bonds (distance) C4'-P energy: -97.666 bonds (distance) P-C4' energy: -95.436 flat angles C4'-P-C4' energy: -104.491 flat angles P-C4'-P energy: -64.597 tors. eta vs tors. theta energy: -98.288 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: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1100.192904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.192904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.192904 (E_RNA) where: Base-Base interactions energy: -713.556 where: short stacking energy: -305.677 Base-Backbone interact. energy: -2.081 local terms energy: -384.555737 where: bonds (distance) C4'-P energy: -92.228 bonds (distance) P-C4' energy: -82.538 flat angles C4'-P-C4' energy: -92.154 flat angles P-C4'-P energy: -67.512 tors. eta vs tors. theta energy: -50.123 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: 402 Temperature: 1.300000 Total energy: -810.436213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.436213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.436213 (E_RNA) where: Base-Base interactions energy: -440.302 where: short stacking energy: -203.099 Base-Backbone interact. energy: -1.677 local terms energy: -368.456870 where: bonds (distance) C4'-P energy: -96.620 bonds (distance) P-C4' energy: -102.967 flat angles C4'-P-C4' energy: -93.789 flat angles P-C4'-P energy: -57.810 tors. eta vs tors. theta energy: -17.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -549.530243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.530243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.530243 (E_RNA) where: Base-Base interactions energy: -241.659 where: short stacking energy: -137.856 Base-Backbone interact. energy: 1.797 local terms energy: -309.667760 where: bonds (distance) C4'-P energy: -90.309 bonds (distance) P-C4' energy: -99.423 flat angles C4'-P-C4' energy: -79.422 flat angles P-C4'-P energy: -39.278 tors. eta vs tors. theta energy: -1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1913.621425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.621425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.621425 (E_RNA) where: Base-Base interactions energy: -1322.387 where: short stacking energy: -586.499 Base-Backbone interact. energy: -2.106 local terms energy: -589.129066 where: bonds (distance) C4'-P energy: -101.244 bonds (distance) P-C4' energy: -109.724 flat angles C4'-P-C4' energy: -126.131 flat angles P-C4'-P energy: -77.247 tors. eta vs tors. theta energy: -174.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1847.102318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.102318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.102318 (E_RNA) where: Base-Base interactions energy: -1268.435 where: short stacking energy: -558.895 Base-Backbone interact. energy: -3.412 local terms energy: -575.255301 where: bonds (distance) C4'-P energy: -98.232 bonds (distance) P-C4' energy: -112.653 flat angles C4'-P-C4' energy: -125.333 flat angles P-C4'-P energy: -80.206 tors. eta vs tors. theta energy: -158.830 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: 403 Temperature: 1.000000 Total energy: -1759.566862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.566862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.566862 (E_RNA) where: Base-Base interactions energy: -1220.646 where: short stacking energy: -510.245 Base-Backbone interact. energy: -1.455 local terms energy: -537.465447 where: bonds (distance) C4'-P energy: -100.622 bonds (distance) P-C4' energy: -99.578 flat angles C4'-P-C4' energy: -120.775 flat angles P-C4'-P energy: -80.926 tors. eta vs tors. theta energy: -135.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1621.268831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.268831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.268831 (E_RNA) where: Base-Base interactions energy: -1070.760 where: short stacking energy: -477.586 Base-Backbone interact. energy: -0.667 local terms energy: -549.841876 where: bonds (distance) C4'-P energy: -95.584 bonds (distance) P-C4' energy: -105.268 flat angles C4'-P-C4' energy: -122.240 flat angles P-C4'-P energy: -81.239 tors. eta vs tors. theta energy: -145.511 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: 3 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1644.879132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.879132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.879132 (E_RNA) where: Base-Base interactions energy: -1130.104 where: short stacking energy: -463.002 Base-Backbone interact. energy: -1.502 local terms energy: -513.272991 where: bonds (distance) C4'-P energy: -97.529 bonds (distance) P-C4' energy: -98.252 flat angles C4'-P-C4' energy: -116.748 flat angles P-C4'-P energy: -70.174 tors. eta vs tors. theta energy: -130.570 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: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1483.300569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.300569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.300569 (E_RNA) where: Base-Base interactions energy: -1012.393 where: short stacking energy: -420.356 Base-Backbone interact. energy: 0.099 local terms energy: -471.006569 where: bonds (distance) C4'-P energy: -96.170 bonds (distance) P-C4' energy: -99.578 flat angles C4'-P-C4' energy: -106.868 flat angles P-C4'-P energy: -56.068 tors. eta vs tors. theta energy: -112.323 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: 7, replica: 10 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1480.864510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.864510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.864510 (E_RNA) where: Base-Base interactions energy: -980.089 where: short stacking energy: -425.441 Base-Backbone interact. energy: 0.474 local terms energy: -501.248651 where: bonds (distance) C4'-P energy: -87.566 bonds (distance) P-C4' energy: -96.511 flat angles C4'-P-C4' energy: -120.591 flat angles P-C4'-P energy: -72.685 tors. eta vs tors. theta energy: -123.896 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: 403 Temperature: 1.250000 Total energy: -1124.047469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.047469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.047469 (E_RNA) where: Base-Base interactions energy: -752.089 where: short stacking energy: -315.490 Base-Backbone interact. energy: 1.449 local terms energy: -373.407220 where: bonds (distance) C4'-P energy: -80.792 bonds (distance) P-C4' energy: -90.744 flat angles C4'-P-C4' energy: -89.204 flat angles P-C4'-P energy: -43.020 tors. eta vs tors. theta energy: -69.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -850.366713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.366713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.366713 (E_RNA) where: Base-Base interactions energy: -494.666 where: short stacking energy: -229.123 Base-Backbone interact. energy: -0.341 local terms energy: -355.360510 where: bonds (distance) C4'-P energy: -77.610 bonds (distance) P-C4' energy: -99.749 flat angles C4'-P-C4' energy: -87.676 flat angles P-C4'-P energy: -56.565 tors. eta vs tors. theta energy: -33.761 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: 8 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -493.364440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.364440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.364440 (E_RNA) where: Base-Base interactions energy: -210.647 where: short stacking energy: -149.821 Base-Backbone interact. energy: 0.719 local terms energy: -283.435628 where: bonds (distance) C4'-P energy: -85.584 bonds (distance) P-C4' energy: -98.038 flat angles C4'-P-C4' energy: -67.900 flat angles P-C4'-P energy: -45.318 tors. eta vs tors. theta energy: 13.404 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: 7 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1928.658151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.658151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.658151 (E_RNA) where: Base-Base interactions energy: -1333.824 where: short stacking energy: -580.563 Base-Backbone interact. energy: -1.430 local terms energy: -593.404766 where: bonds (distance) C4'-P energy: -107.423 bonds (distance) P-C4' energy: -113.514 flat angles C4'-P-C4' energy: -126.978 flat angles P-C4'-P energy: -76.841 tors. eta vs tors. theta energy: -168.648 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: 404 Temperature: 0.950000 Total energy: -1855.507397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.507397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.507397 (E_RNA) where: Base-Base interactions energy: -1312.876 where: short stacking energy: -570.384 Base-Backbone interact. energy: -2.413 local terms energy: -540.218013 where: bonds (distance) C4'-P energy: -99.022 bonds (distance) P-C4' energy: -82.991 flat angles C4'-P-C4' energy: -113.876 flat angles P-C4'-P energy: -79.596 tors. eta vs tors. theta energy: -164.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1775.288531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.288531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.288531 (E_RNA) where: Base-Base interactions energy: -1198.797 where: short stacking energy: -509.327 Base-Backbone interact. energy: -1.794 local terms energy: -574.698355 where: bonds (distance) C4'-P energy: -115.161 bonds (distance) P-C4' energy: -115.647 flat angles C4'-P-C4' energy: -112.060 flat angles P-C4'-P energy: -79.817 tors. eta vs tors. theta energy: -152.013 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: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1633.790078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.790078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.790078 (E_RNA) where: Base-Base interactions energy: -1102.409 where: short stacking energy: -475.323 Base-Backbone interact. energy: -2.518 local terms energy: -528.863416 where: bonds (distance) C4'-P energy: -109.609 bonds (distance) P-C4' energy: -94.456 flat angles C4'-P-C4' energy: -106.403 flat angles P-C4'-P energy: -86.779 tors. eta vs tors. theta energy: -131.616 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: 3 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1632.539094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.539094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.539094 (E_RNA) where: Base-Base interactions energy: -1110.738 where: short stacking energy: -456.878 Base-Backbone interact. energy: -2.216 local terms energy: -519.585088 where: bonds (distance) C4'-P energy: -96.332 bonds (distance) P-C4' energy: -102.022 flat angles C4'-P-C4' energy: -101.661 flat angles P-C4'-P energy: -76.221 tors. eta vs tors. theta energy: -143.349 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: 2 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1498.945076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.945076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.945076 (E_RNA) where: Base-Base interactions energy: -1015.958 where: short stacking energy: -450.781 Base-Backbone interact. energy: -3.430 local terms energy: -479.556802 where: bonds (distance) C4'-P energy: -87.693 bonds (distance) P-C4' energy: -86.935 flat angles C4'-P-C4' energy: -102.032 flat angles P-C4'-P energy: -74.062 tors. eta vs tors. theta energy: -128.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1491.871639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.871639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.871639 (E_RNA) where: Base-Base interactions energy: -984.180 where: short stacking energy: -420.824 Base-Backbone interact. energy: -0.648 local terms energy: -507.043425 where: bonds (distance) C4'-P energy: -106.994 bonds (distance) P-C4' energy: -94.687 flat angles C4'-P-C4' energy: -104.419 flat angles P-C4'-P energy: -71.453 tors. eta vs tors. theta energy: -129.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1232.522539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.522539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.522539 (E_RNA) where: Base-Base interactions energy: -818.385 where: short stacking energy: -341.486 Base-Backbone interact. energy: -2.502 local terms energy: -411.634654 where: bonds (distance) C4'-P energy: -83.513 bonds (distance) P-C4' energy: -112.030 flat angles C4'-P-C4' energy: -93.894 flat angles P-C4'-P energy: -54.810 tors. eta vs tors. theta energy: -67.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -808.136057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.136057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.136057 (E_RNA) where: Base-Base interactions energy: -480.708 where: short stacking energy: -238.031 Base-Backbone interact. energy: -1.821 local terms energy: -325.606987 where: bonds (distance) C4'-P energy: -82.249 bonds (distance) P-C4' energy: -83.110 flat angles C4'-P-C4' energy: -86.220 flat angles P-C4'-P energy: -42.643 tors. eta vs tors. theta energy: -31.384 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: 8 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -481.461074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.461074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.461074 (E_RNA) where: Base-Base interactions energy: -212.364 where: short stacking energy: -147.957 Base-Backbone interact. energy: 2.048 local terms energy: -271.145609 where: bonds (distance) C4'-P energy: -89.552 bonds (distance) P-C4' energy: -92.112 flat angles C4'-P-C4' energy: -61.083 flat angles P-C4'-P energy: -24.753 tors. eta vs tors. theta energy: -3.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1949.116995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.116995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.116995 (E_RNA) where: Base-Base interactions energy: -1347.928 where: short stacking energy: -586.769 Base-Backbone interact. energy: -2.096 local terms energy: -599.092845 where: bonds (distance) C4'-P energy: -102.994 bonds (distance) P-C4' energy: -107.915 flat angles C4'-P-C4' energy: -131.166 flat angles P-C4'-P energy: -87.096 tors. eta vs tors. theta energy: -169.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1879.845228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.845228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.845228 (E_RNA) where: Base-Base interactions energy: -1280.115 where: short stacking energy: -552.400 Base-Backbone interact. energy: 2.319 local terms energy: -602.048865 where: bonds (distance) C4'-P energy: -107.795 bonds (distance) P-C4' energy: -115.095 flat angles C4'-P-C4' energy: -124.731 flat angles P-C4'-P energy: -87.142 tors. eta vs tors. theta energy: -167.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1760.293785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.293785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.293785 (E_RNA) where: Base-Base interactions energy: -1216.970 where: short stacking energy: -521.496 Base-Backbone interact. energy: -3.627 local terms energy: -539.696279 where: bonds (distance) C4'-P energy: -102.948 bonds (distance) P-C4' energy: -86.794 flat angles C4'-P-C4' energy: -128.374 flat angles P-C4'-P energy: -67.340 tors. eta vs tors. theta energy: -154.240 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: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1637.383208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.383208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.383208 (E_RNA) where: Base-Base interactions energy: -1104.309 where: short stacking energy: -490.902 Base-Backbone interact. energy: 0.233 local terms energy: -533.307035 where: bonds (distance) C4'-P energy: -104.150 bonds (distance) P-C4' energy: -101.543 flat angles C4'-P-C4' energy: -110.322 flat angles P-C4'-P energy: -83.373 tors. eta vs tors. theta energy: -133.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1648.545812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.545812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.545812 (E_RNA) where: Base-Base interactions energy: -1107.111 where: short stacking energy: -496.942 Base-Backbone interact. energy: -2.080 local terms energy: -539.355198 where: bonds (distance) C4'-P energy: -115.732 bonds (distance) P-C4' energy: -88.450 flat angles C4'-P-C4' energy: -107.789 flat angles P-C4'-P energy: -85.688 tors. eta vs tors. theta energy: -141.697 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: 10 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1502.736067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.736067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.736067 (E_RNA) where: Base-Base interactions energy: -1022.347 where: short stacking energy: -420.754 Base-Backbone interact. energy: -1.304 local terms energy: -479.084568 where: bonds (distance) C4'-P energy: -98.360 bonds (distance) P-C4' energy: -86.424 flat angles C4'-P-C4' energy: -102.081 flat angles P-C4'-P energy: -75.668 tors. eta vs tors. theta energy: -116.551 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: 2 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1422.670757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.670757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.670757 (E_RNA) where: Base-Base interactions energy: -974.142 where: short stacking energy: -405.223 Base-Backbone interact. energy: -2.838 local terms energy: -445.691245 where: bonds (distance) C4'-P energy: -87.420 bonds (distance) P-C4' energy: -84.655 flat angles C4'-P-C4' energy: -113.884 flat angles P-C4'-P energy: -70.415 tors. eta vs tors. theta energy: -89.317 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: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1209.885074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.885074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.885074 (E_RNA) where: Base-Base interactions energy: -819.304 where: short stacking energy: -356.690 Base-Backbone interact. energy: 1.365 local terms energy: -391.946192 where: bonds (distance) C4'-P energy: -88.398 bonds (distance) P-C4' energy: -93.807 flat angles C4'-P-C4' energy: -97.294 flat angles P-C4'-P energy: -39.642 tors. eta vs tors. theta energy: -72.805 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: 405 Temperature: 1.300000 Total energy: -822.830824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.830824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.830824 (E_RNA) where: Base-Base interactions energy: -504.946 where: short stacking energy: -225.050 Base-Backbone interact. energy: -0.879 local terms energy: -317.006564 where: bonds (distance) C4'-P energy: -94.164 bonds (distance) P-C4' energy: -100.507 flat angles C4'-P-C4' energy: -67.886 flat angles P-C4'-P energy: -37.700 tors. eta vs tors. theta energy: -16.750 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: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -493.424152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.424152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.424152 (E_RNA) where: Base-Base interactions energy: -186.971 where: short stacking energy: -123.744 Base-Backbone interact. energy: 4.689 local terms energy: -311.142340 where: bonds (distance) C4'-P energy: -87.689 bonds (distance) P-C4' energy: -85.207 flat angles C4'-P-C4' energy: -82.356 flat angles P-C4'-P energy: -55.555 tors. eta vs tors. theta energy: -0.336 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: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1971.638943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.638943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.638943 (E_RNA) where: Base-Base interactions energy: -1388.204 where: short stacking energy: -587.729 Base-Backbone interact. energy: -1.047 local terms energy: -582.387543 where: bonds (distance) C4'-P energy: -95.032 bonds (distance) P-C4' energy: -109.686 flat angles C4'-P-C4' energy: -125.851 flat angles P-C4'-P energy: -81.265 tors. eta vs tors. theta energy: -170.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1867.612788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.612788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.612788 (E_RNA) where: Base-Base interactions energy: -1273.224 where: short stacking energy: -562.620 Base-Backbone interact. energy: -3.650 local terms energy: -590.739027 where: bonds (distance) C4'-P energy: -115.125 bonds (distance) P-C4' energy: -111.048 flat angles C4'-P-C4' energy: -122.672 flat angles P-C4'-P energy: -79.960 tors. eta vs tors. theta energy: -161.934 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: 406 Temperature: 1.000000 Total energy: -1770.600445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.600445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.600445 (E_RNA) where: Base-Base interactions energy: -1228.069 where: short stacking energy: -520.096 Base-Backbone interact. energy: -0.996 local terms energy: -541.535673 where: bonds (distance) C4'-P energy: -97.367 bonds (distance) P-C4' energy: -101.994 flat angles C4'-P-C4' energy: -108.534 flat angles P-C4'-P energy: -83.309 tors. eta vs tors. theta energy: -150.331 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: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1625.312739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.312739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.312739 (E_RNA) where: Base-Base interactions energy: -1109.781 where: short stacking energy: -464.212 Base-Backbone interact. energy: -3.539 local terms energy: -511.992475 where: bonds (distance) C4'-P energy: -88.518 bonds (distance) P-C4' energy: -105.544 flat angles C4'-P-C4' energy: -104.768 flat angles P-C4'-P energy: -75.735 tors. eta vs tors. theta energy: -137.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1648.427523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.427523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.427523 (E_RNA) where: Base-Base interactions energy: -1103.963 where: short stacking energy: -469.693 Base-Backbone interact. energy: -3.405 local terms energy: -541.059732 where: bonds (distance) C4'-P energy: -113.489 bonds (distance) P-C4' energy: -99.853 flat angles C4'-P-C4' energy: -114.170 flat angles P-C4'-P energy: -70.320 tors. eta vs tors. theta energy: -143.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1539.350575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.350575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.350575 (E_RNA) where: Base-Base interactions energy: -1031.162 where: short stacking energy: -468.994 Base-Backbone interact. energy: -1.394 local terms energy: -506.794869 where: bonds (distance) C4'-P energy: -100.334 bonds (distance) P-C4' energy: -96.198 flat angles C4'-P-C4' energy: -107.805 flat angles P-C4'-P energy: -69.944 tors. eta vs tors. theta energy: -132.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1478.424865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.424865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.424865 (E_RNA) where: Base-Base interactions energy: -1002.620 where: short stacking energy: -431.765 Base-Backbone interact. energy: -1.320 local terms energy: -474.484581 where: bonds (distance) C4'-P energy: -108.680 bonds (distance) P-C4' energy: -88.438 flat angles C4'-P-C4' energy: -101.360 flat angles P-C4'-P energy: -77.605 tors. eta vs tors. theta energy: -98.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1144.635905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.635905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.635905 (E_RNA) where: Base-Base interactions energy: -757.356 where: short stacking energy: -334.929 Base-Backbone interact. energy: -0.479 local terms energy: -386.801246 where: bonds (distance) C4'-P energy: -78.839 bonds (distance) P-C4' energy: -89.376 flat angles C4'-P-C4' energy: -94.161 flat angles P-C4'-P energy: -51.164 tors. eta vs tors. theta energy: -73.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -814.766590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.766590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.766590 (E_RNA) where: Base-Base interactions energy: -494.783 where: short stacking energy: -246.411 Base-Backbone interact. energy: 1.562 local terms energy: -321.546178 where: bonds (distance) C4'-P energy: -89.186 bonds (distance) P-C4' energy: -94.408 flat angles C4'-P-C4' energy: -75.542 flat angles P-C4'-P energy: -38.671 tors. eta vs tors. theta energy: -23.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -511.228651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.228651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.228651 (E_RNA) where: Base-Base interactions energy: -212.364 where: short stacking energy: -148.579 Base-Backbone interact. energy: 11.339 local terms energy: -310.204198 where: bonds (distance) C4'-P energy: -73.635 bonds (distance) P-C4' energy: -97.305 flat angles C4'-P-C4' energy: -82.490 flat angles P-C4'-P energy: -59.164 tors. eta vs tors. theta energy: 2.391 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: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1995.617912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.617912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.617912 (E_RNA) where: Base-Base interactions energy: -1385.034 where: short stacking energy: -610.716 Base-Backbone interact. energy: -0.352 local terms energy: -610.231764 where: bonds (distance) C4'-P energy: -115.129 bonds (distance) P-C4' energy: -112.910 flat angles C4'-P-C4' energy: -116.944 flat angles P-C4'-P energy: -86.781 tors. eta vs tors. theta energy: -178.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1846.554736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.554736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.554736 (E_RNA) where: Base-Base interactions energy: -1258.793 where: short stacking energy: -556.332 Base-Backbone interact. energy: -4.202 local terms energy: -583.559807 where: bonds (distance) C4'-P energy: -117.460 bonds (distance) P-C4' energy: -99.217 flat angles C4'-P-C4' energy: -121.435 flat angles P-C4'-P energy: -88.536 tors. eta vs tors. theta energy: -156.913 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: 3, replica: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1803.422384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.422384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.422384 (E_RNA) where: Base-Base interactions energy: -1233.526 where: short stacking energy: -523.844 Base-Backbone interact. energy: -1.743 local terms energy: -568.153859 where: bonds (distance) C4'-P energy: -104.341 bonds (distance) P-C4' energy: -107.844 flat angles C4'-P-C4' energy: -112.633 flat angles P-C4'-P energy: -81.371 tors. eta vs tors. theta energy: -161.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1612.798656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.798656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.798656 (E_RNA) where: Base-Base interactions energy: -1084.560 where: short stacking energy: -493.154 Base-Backbone interact. energy: -1.529 local terms energy: -526.709632 where: bonds (distance) C4'-P energy: -101.432 bonds (distance) P-C4' energy: -100.852 flat angles C4'-P-C4' energy: -113.217 flat angles P-C4'-P energy: -77.455 tors. eta vs tors. theta energy: -133.755 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: 3 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1660.515585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.515585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.515585 (E_RNA) where: Base-Base interactions energy: -1130.271 where: short stacking energy: -478.154 Base-Backbone interact. energy: -0.061 local terms energy: -530.183639 where: bonds (distance) C4'-P energy: -100.871 bonds (distance) P-C4' energy: -107.670 flat angles C4'-P-C4' energy: -105.191 flat angles P-C4'-P energy: -72.023 tors. eta vs tors. theta energy: -144.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1521.735206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.735206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.735206 (E_RNA) where: Base-Base interactions energy: -1046.244 where: short stacking energy: -469.742 Base-Backbone interact. energy: -3.028 local terms energy: -472.463202 where: bonds (distance) C4'-P energy: -84.845 bonds (distance) P-C4' energy: -102.196 flat angles C4'-P-C4' energy: -99.246 flat angles P-C4'-P energy: -72.672 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: 7, replica: 2 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1446.730826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.730826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.730826 (E_RNA) where: Base-Base interactions energy: -985.857 where: short stacking energy: -423.739 Base-Backbone interact. energy: 0.898 local terms energy: -461.772049 where: bonds (distance) C4'-P energy: -92.795 bonds (distance) P-C4' energy: -93.019 flat angles C4'-P-C4' energy: -103.850 flat angles P-C4'-P energy: -69.023 tors. eta vs tors. theta energy: -103.085 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: 407 Temperature: 1.250000 Total energy: -1151.001177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.001177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.001177 (E_RNA) where: Base-Base interactions energy: -748.879 where: short stacking energy: -320.212 Base-Backbone interact. energy: -0.433 local terms energy: -401.689749 where: bonds (distance) C4'-P energy: -89.635 bonds (distance) P-C4' energy: -81.247 flat angles C4'-P-C4' energy: -105.967 flat angles P-C4'-P energy: -62.729 tors. eta vs tors. theta energy: -62.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -829.219211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.219211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.219211 (E_RNA) where: Base-Base interactions energy: -489.640 where: short stacking energy: -244.418 Base-Backbone interact. energy: 0.025 local terms energy: -339.604368 where: bonds (distance) C4'-P energy: -85.587 bonds (distance) P-C4' energy: -107.729 flat angles C4'-P-C4' energy: -72.309 flat angles P-C4'-P energy: -56.430 tors. eta vs tors. theta energy: -17.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -428.733653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.733653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.733653 (E_RNA) where: Base-Base interactions energy: -130.763 where: short stacking energy: -118.547 Base-Backbone interact. energy: -0.857 local terms energy: -297.114354 where: bonds (distance) C4'-P energy: -77.047 bonds (distance) P-C4' energy: -87.558 flat angles C4'-P-C4' energy: -91.171 flat angles P-C4'-P energy: -52.765 tors. eta vs tors. theta energy: 11.427 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: 1, replica: 7 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1961.573790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.573790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.573790 (E_RNA) where: Base-Base interactions energy: -1361.171 where: short stacking energy: -568.112 Base-Backbone interact. energy: -4.028 local terms energy: -596.374074 where: bonds (distance) C4'-P energy: -106.894 bonds (distance) P-C4' energy: -98.786 flat angles C4'-P-C4' energy: -136.168 flat angles P-C4'-P energy: -83.789 tors. eta vs tors. theta energy: -170.737 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: 4 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1825.241583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.241583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.241583 (E_RNA) where: Base-Base interactions energy: -1261.291 where: short stacking energy: -551.225 Base-Backbone interact. energy: -1.903 local terms energy: -562.047678 where: bonds (distance) C4'-P energy: -118.487 bonds (distance) P-C4' energy: -100.072 flat angles C4'-P-C4' energy: -110.830 flat angles P-C4'-P energy: -76.160 tors. eta vs tors. theta energy: -156.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1791.424424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.424424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.424424 (E_RNA) where: Base-Base interactions energy: -1241.409 where: short stacking energy: -538.308 Base-Backbone interact. energy: -1.834 local terms energy: -548.181169 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -106.878 flat angles C4'-P-C4' energy: -115.617 flat angles P-C4'-P energy: -71.913 tors. eta vs tors. theta energy: -160.021 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: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1610.907593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.907593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.907593 (E_RNA) where: Base-Base interactions energy: -1090.636 where: short stacking energy: -474.137 Base-Backbone interact. energy: -0.792 local terms energy: -519.479641 where: bonds (distance) C4'-P energy: -93.092 bonds (distance) P-C4' energy: -92.272 flat angles C4'-P-C4' energy: -112.658 flat angles P-C4'-P energy: -82.366 tors. eta vs tors. theta energy: -139.092 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: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1623.984360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.984360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.984360 (E_RNA) where: Base-Base interactions energy: -1130.800 where: short stacking energy: -472.539 Base-Backbone interact. energy: 3.213 local terms energy: -496.397762 where: bonds (distance) C4'-P energy: -88.438 bonds (distance) P-C4' energy: -97.244 flat angles C4'-P-C4' energy: -120.110 flat angles P-C4'-P energy: -66.789 tors. eta vs tors. theta energy: -123.817 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: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1499.470834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.470834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.470834 (E_RNA) where: Base-Base interactions energy: -1035.070 where: short stacking energy: -439.255 Base-Backbone interact. energy: 0.127 local terms energy: -464.527336 where: bonds (distance) C4'-P energy: -82.689 bonds (distance) P-C4' energy: -85.346 flat angles C4'-P-C4' energy: -105.707 flat angles P-C4'-P energy: -70.059 tors. eta vs tors. theta energy: -120.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -1444.728931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.728931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.728931 (E_RNA) where: Base-Base interactions energy: -972.449 where: short stacking energy: -426.815 Base-Backbone interact. energy: 0.680 local terms energy: -472.959274 where: bonds (distance) C4'-P energy: -113.065 bonds (distance) P-C4' energy: -90.930 flat angles C4'-P-C4' energy: -111.955 flat angles P-C4'-P energy: -49.339 tors. eta vs tors. theta energy: -107.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1159.017712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.017712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.017712 (E_RNA) where: Base-Base interactions energy: -750.539 where: short stacking energy: -342.136 Base-Backbone interact. energy: 3.640 local terms energy: -412.118916 where: bonds (distance) C4'-P energy: -96.344 bonds (distance) P-C4' energy: -88.361 flat angles C4'-P-C4' energy: -99.663 flat angles P-C4'-P energy: -60.658 tors. eta vs tors. theta energy: -67.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -884.462457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.462457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.462457 (E_RNA) where: Base-Base interactions energy: -514.952 where: short stacking energy: -268.435 Base-Backbone interact. energy: -1.019 local terms energy: -368.491320 where: bonds (distance) C4'-P energy: -81.616 bonds (distance) P-C4' energy: -92.075 flat angles C4'-P-C4' energy: -88.824 flat angles P-C4'-P energy: -64.909 tors. eta vs tors. theta energy: -41.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -435.930759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.930759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.930759 (E_RNA) where: Base-Base interactions energy: -195.290 where: short stacking energy: -142.284 Base-Backbone interact. energy: 0.633 local terms energy: -241.274340 where: bonds (distance) C4'-P energy: -66.943 bonds (distance) P-C4' energy: -86.555 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -41.852 tors. eta vs tors. theta energy: 19.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1936.120795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.120795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.120795 (E_RNA) where: Base-Base interactions energy: -1334.034 where: short stacking energy: -581.415 Base-Backbone interact. energy: -1.741 local terms energy: -600.345851 where: bonds (distance) C4'-P energy: -111.979 bonds (distance) P-C4' energy: -112.840 flat angles C4'-P-C4' energy: -130.376 flat angles P-C4'-P energy: -73.285 tors. eta vs tors. theta energy: -171.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1846.303908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.303908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.303908 (E_RNA) where: Base-Base interactions energy: -1267.183 where: short stacking energy: -547.582 Base-Backbone interact. energy: 2.042 local terms energy: -581.162514 where: bonds (distance) C4'-P energy: -103.875 bonds (distance) P-C4' energy: -113.536 flat angles C4'-P-C4' energy: -124.738 flat angles P-C4'-P energy: -81.822 tors. eta vs tors. theta energy: -157.192 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: 3, replica: 4 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1767.515839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.515839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.515839 (E_RNA) where: Base-Base interactions energy: -1215.306 where: short stacking energy: -524.993 Base-Backbone interact. energy: -2.085 local terms energy: -550.124563 where: bonds (distance) C4'-P energy: -94.930 bonds (distance) P-C4' energy: -105.479 flat angles C4'-P-C4' energy: -115.568 flat angles P-C4'-P energy: -80.204 tors. eta vs tors. theta energy: -153.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1670.337775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.337775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.337775 (E_RNA) where: Base-Base interactions energy: -1137.699 where: short stacking energy: -482.744 Base-Backbone interact. energy: -1.493 local terms energy: -531.145148 where: bonds (distance) C4'-P energy: -101.218 bonds (distance) P-C4' energy: -105.512 flat angles C4'-P-C4' energy: -112.806 flat angles P-C4'-P energy: -79.917 tors. eta vs tors. theta energy: -131.692 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: 5, replica: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1593.014919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.014919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.014919 (E_RNA) where: Base-Base interactions energy: -1113.584 where: short stacking energy: -468.348 Base-Backbone interact. energy: 0.769 local terms energy: -480.200332 where: bonds (distance) C4'-P energy: -97.083 bonds (distance) P-C4' energy: -89.236 flat angles C4'-P-C4' energy: -106.526 flat angles P-C4'-P energy: -73.454 tors. eta vs tors. theta energy: -113.901 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: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1526.025348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.025348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.025348 (E_RNA) where: Base-Base interactions energy: -1020.264 where: short stacking energy: -455.571 Base-Backbone interact. energy: -2.653 local terms energy: -503.108233 where: bonds (distance) C4'-P energy: -96.821 bonds (distance) P-C4' energy: -95.319 flat angles C4'-P-C4' energy: -113.943 flat angles P-C4'-P energy: -67.235 tors. eta vs tors. theta energy: -129.790 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: 2 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1429.973097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.973097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.973097 (E_RNA) where: Base-Base interactions energy: -970.190 where: short stacking energy: -391.349 Base-Backbone interact. energy: 0.525 local terms energy: -460.307482 where: bonds (distance) C4'-P energy: -88.074 bonds (distance) P-C4' energy: -108.201 flat angles C4'-P-C4' energy: -96.824 flat angles P-C4'-P energy: -64.281 tors. eta vs tors. theta energy: -102.927 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: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1132.295920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.295920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.295920 (E_RNA) where: Base-Base interactions energy: -732.819 where: short stacking energy: -335.930 Base-Backbone interact. energy: -0.668 local terms energy: -398.808322 where: bonds (distance) C4'-P energy: -98.991 bonds (distance) P-C4' energy: -86.464 flat angles C4'-P-C4' energy: -93.196 flat angles P-C4'-P energy: -56.612 tors. eta vs tors. theta energy: -63.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -803.888086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.888086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.888086 (E_RNA) where: Base-Base interactions energy: -477.161 where: short stacking energy: -228.126 Base-Backbone interact. energy: 4.365 local terms energy: -331.092643 where: bonds (distance) C4'-P energy: -78.028 bonds (distance) P-C4' energy: -99.797 flat angles C4'-P-C4' energy: -67.293 flat angles P-C4'-P energy: -57.903 tors. eta vs tors. theta energy: -28.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -427.780368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.780368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.780368 (E_RNA) where: Base-Base interactions energy: -184.016 where: short stacking energy: -129.120 Base-Backbone interact. energy: 18.322 local terms energy: -262.086252 where: bonds (distance) C4'-P energy: -82.462 bonds (distance) P-C4' energy: -83.755 flat angles C4'-P-C4' energy: -67.767 flat angles P-C4'-P energy: -49.833 tors. eta vs tors. theta energy: 21.730 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: 7 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1951.822440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.822440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.822440 (E_RNA) where: Base-Base interactions energy: -1356.509 where: short stacking energy: -572.835 Base-Backbone interact. energy: -2.701 local terms energy: -592.611922 where: bonds (distance) C4'-P energy: -104.132 bonds (distance) P-C4' energy: -118.995 flat angles C4'-P-C4' energy: -117.697 flat angles P-C4'-P energy: -83.997 tors. eta vs tors. theta energy: -167.790 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: 410 Temperature: 0.950000 Total energy: -1862.260779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.260779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.260779 (E_RNA) where: Base-Base interactions energy: -1286.547 where: short stacking energy: -562.908 Base-Backbone interact. energy: -1.679 local terms energy: -574.034167 where: bonds (distance) C4'-P energy: -105.243 bonds (distance) P-C4' energy: -113.236 flat angles C4'-P-C4' energy: -118.005 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: -163.052 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: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1729.894750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.894750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.894750 (E_RNA) where: Base-Base interactions energy: -1195.940 where: short stacking energy: -516.688 Base-Backbone interact. energy: -1.678 local terms energy: -532.276839 where: bonds (distance) C4'-P energy: -102.003 bonds (distance) P-C4' energy: -100.689 flat angles C4'-P-C4' energy: -107.750 flat angles P-C4'-P energy: -65.988 tors. eta vs tors. theta energy: -155.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1719.254831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.254831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.254831 (E_RNA) where: Base-Base interactions energy: -1151.384 where: short stacking energy: -520.088 Base-Backbone interact. energy: -2.933 local terms energy: -564.938391 where: bonds (distance) C4'-P energy: -112.356 bonds (distance) P-C4' energy: -105.161 flat angles C4'-P-C4' energy: -117.534 flat angles P-C4'-P energy: -80.092 tors. eta vs tors. theta energy: -149.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1591.905505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.905505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.905505 (E_RNA) where: Base-Base interactions energy: -1072.384 where: short stacking energy: -451.995 Base-Backbone interact. energy: 0.436 local terms energy: -519.957107 where: bonds (distance) C4'-P energy: -95.294 bonds (distance) P-C4' energy: -102.059 flat angles C4'-P-C4' energy: -116.566 flat angles P-C4'-P energy: -75.235 tors. eta vs tors. theta energy: -130.803 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: 10 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1476.412046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.412046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.412046 (E_RNA) where: Base-Base interactions energy: -990.106 where: short stacking energy: -431.634 Base-Backbone interact. energy: -2.294 local terms energy: -484.011933 where: bonds (distance) C4'-P energy: -84.548 bonds (distance) P-C4' energy: -103.991 flat angles C4'-P-C4' energy: -101.087 flat angles P-C4'-P energy: -72.554 tors. eta vs tors. theta energy: -121.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1427.250345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.250345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.250345 (E_RNA) where: Base-Base interactions energy: -955.921 where: short stacking energy: -412.096 Base-Backbone interact. energy: 0.215 local terms energy: -471.544910 where: bonds (distance) C4'-P energy: -92.105 bonds (distance) P-C4' energy: -99.400 flat angles C4'-P-C4' energy: -99.835 flat angles P-C4'-P energy: -63.613 tors. eta vs tors. theta energy: -116.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1252.959333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.959333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.959333 (E_RNA) where: Base-Base interactions energy: -831.416 where: short stacking energy: -358.148 Base-Backbone interact. energy: 5.597 local terms energy: -427.140845 where: bonds (distance) C4'-P energy: -88.654 bonds (distance) P-C4' energy: -108.069 flat angles C4'-P-C4' energy: -96.421 flat angles P-C4'-P energy: -59.772 tors. eta vs tors. theta energy: -74.226 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: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -808.843439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.843439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.843439 (E_RNA) where: Base-Base interactions energy: -465.774 where: short stacking energy: -241.677 Base-Backbone interact. energy: -1.800 local terms energy: -341.269746 where: bonds (distance) C4'-P energy: -94.699 bonds (distance) P-C4' energy: -85.677 flat angles C4'-P-C4' energy: -75.444 flat angles P-C4'-P energy: -57.452 tors. eta vs tors. theta energy: -27.999 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: 8 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -422.051240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.051240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.051240 (E_RNA) where: Base-Base interactions energy: -144.168 where: short stacking energy: -103.046 Base-Backbone interact. energy: 2.390 local terms energy: -280.273342 where: bonds (distance) C4'-P energy: -91.655 bonds (distance) P-C4' energy: -92.083 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -55.077 tors. eta vs tors. theta energy: 24.863 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: 1, replica: 7 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1949.832524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.832524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.832524 (E_RNA) where: Base-Base interactions energy: -1364.139 where: short stacking energy: -580.198 Base-Backbone interact. energy: -1.311 local terms energy: -584.381809 where: bonds (distance) C4'-P energy: -114.199 bonds (distance) P-C4' energy: -105.040 flat angles C4'-P-C4' energy: -121.081 flat angles P-C4'-P energy: -73.892 tors. eta vs tors. theta energy: -170.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1839.502477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.502477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.502477 (E_RNA) where: Base-Base interactions energy: -1273.778 where: short stacking energy: -549.601 Base-Backbone interact. energy: -2.991 local terms energy: -562.733918 where: bonds (distance) C4'-P energy: -104.379 bonds (distance) P-C4' energy: -108.363 flat angles C4'-P-C4' energy: -117.398 flat angles P-C4'-P energy: -72.832 tors. eta vs tors. theta energy: -159.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1748.203804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.203804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.203804 (E_RNA) where: Base-Base interactions energy: -1184.938 where: short stacking energy: -503.399 Base-Backbone interact. energy: -2.825 local terms energy: -560.440937 where: bonds (distance) C4'-P energy: -108.685 bonds (distance) P-C4' energy: -105.918 flat angles C4'-P-C4' energy: -120.959 flat angles P-C4'-P energy: -78.468 tors. eta vs tors. theta energy: -146.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1719.326999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.326999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.326999 (E_RNA) where: Base-Base interactions energy: -1187.080 where: short stacking energy: -515.621 Base-Backbone interact. energy: -2.586 local terms energy: -529.661423 where: bonds (distance) C4'-P energy: -98.774 bonds (distance) P-C4' energy: -95.676 flat angles C4'-P-C4' energy: -113.343 flat angles P-C4'-P energy: -73.241 tors. eta vs tors. theta energy: -148.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1606.989472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.989472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.989472 (E_RNA) where: Base-Base interactions energy: -1068.394 where: short stacking energy: -486.637 Base-Backbone interact. energy: -3.707 local terms energy: -534.889034 where: bonds (distance) C4'-P energy: -104.302 bonds (distance) P-C4' energy: -99.795 flat angles C4'-P-C4' energy: -116.243 flat angles P-C4'-P energy: -72.534 tors. eta vs tors. theta energy: -142.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1505.203060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.203060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.203060 (E_RNA) where: Base-Base interactions energy: -1010.163 where: short stacking energy: -431.840 Base-Backbone interact. energy: 1.610 local terms energy: -496.649957 where: bonds (distance) C4'-P energy: -98.065 bonds (distance) P-C4' energy: -107.918 flat angles C4'-P-C4' energy: -107.028 flat angles P-C4'-P energy: -62.323 tors. eta vs tors. theta energy: -121.316 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: 2 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1399.594161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.594161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.594161 (E_RNA) where: Base-Base interactions energy: -950.442 where: short stacking energy: -420.286 Base-Backbone interact. energy: -1.839 local terms energy: -447.314028 where: bonds (distance) C4'-P energy: -77.354 bonds (distance) P-C4' energy: -91.153 flat angles C4'-P-C4' energy: -99.644 flat angles P-C4'-P energy: -61.724 tors. eta vs tors. theta energy: -117.439 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: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1271.471726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.471726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.471726 (E_RNA) where: Base-Base interactions energy: -842.632 where: short stacking energy: -361.118 Base-Backbone interact. energy: -2.236 local terms energy: -426.603948 where: bonds (distance) C4'-P energy: -97.852 bonds (distance) P-C4' energy: -103.284 flat angles C4'-P-C4' energy: -92.058 flat angles P-C4'-P energy: -50.264 tors. eta vs tors. theta energy: -83.146 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: 411 Temperature: 1.300000 Total energy: -823.338546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.338546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.338546 (E_RNA) where: Base-Base interactions energy: -502.105 where: short stacking energy: -250.598 Base-Backbone interact. energy: -0.954 local terms energy: -320.279493 where: bonds (distance) C4'-P energy: -87.540 bonds (distance) P-C4' energy: -82.151 flat angles C4'-P-C4' energy: -76.055 flat angles P-C4'-P energy: -36.910 tors. eta vs tors. theta energy: -37.625 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: 8 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -463.062153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.062153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.062153 (E_RNA) where: Base-Base interactions energy: -210.563 where: short stacking energy: -154.262 Base-Backbone interact. energy: -0.209 local terms energy: -252.290155 where: bonds (distance) C4'-P energy: -69.761 bonds (distance) P-C4' energy: -80.651 flat angles C4'-P-C4' energy: -75.203 flat angles P-C4'-P energy: -29.966 tors. eta vs tors. theta energy: 3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1932.662636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.662636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.662636 (E_RNA) where: Base-Base interactions energy: -1313.031 where: short stacking energy: -571.587 Base-Backbone interact. energy: -2.113 local terms energy: -617.518489 where: bonds (distance) C4'-P energy: -118.155 bonds (distance) P-C4' energy: -115.023 flat angles C4'-P-C4' energy: -126.052 flat angles P-C4'-P energy: -79.366 tors. eta vs tors. theta energy: -178.923 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: 412 Temperature: 0.950000 Total energy: -1836.550955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.550955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.550955 (E_RNA) where: Base-Base interactions energy: -1266.212 where: short stacking energy: -545.941 Base-Backbone interact. energy: -2.552 local terms energy: -567.786737 where: bonds (distance) C4'-P energy: -102.722 bonds (distance) P-C4' energy: -110.766 flat angles C4'-P-C4' energy: -119.136 flat angles P-C4'-P energy: -75.208 tors. eta vs tors. theta energy: -159.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1732.916018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.916018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.916018 (E_RNA) where: Base-Base interactions energy: -1163.195 where: short stacking energy: -514.396 Base-Backbone interact. energy: -1.839 local terms energy: -567.882201 where: bonds (distance) C4'-P energy: -99.869 bonds (distance) P-C4' energy: -110.414 flat angles C4'-P-C4' energy: -122.210 flat angles P-C4'-P energy: -77.837 tors. eta vs tors. theta energy: -157.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1733.001525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.001525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.001525 (E_RNA) where: Base-Base interactions energy: -1179.880 where: short stacking energy: -496.998 Base-Backbone interact. energy: -3.480 local terms energy: -549.641738 where: bonds (distance) C4'-P energy: -108.068 bonds (distance) P-C4' energy: -109.979 flat angles C4'-P-C4' energy: -111.263 flat angles P-C4'-P energy: -72.455 tors. eta vs tors. theta energy: -147.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1577.819785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.819785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.819785 (E_RNA) where: Base-Base interactions energy: -1066.218 where: short stacking energy: -473.957 Base-Backbone interact. energy: 0.368 local terms energy: -511.970189 where: bonds (distance) C4'-P energy: -89.026 bonds (distance) P-C4' energy: -95.155 flat angles C4'-P-C4' energy: -100.348 flat angles P-C4'-P energy: -74.207 tors. eta vs tors. theta energy: -153.235 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: 10 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1496.086301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.086301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.086301 (E_RNA) where: Base-Base interactions energy: -1016.483 where: short stacking energy: -437.502 Base-Backbone interact. energy: -2.244 local terms energy: -477.359626 where: bonds (distance) C4'-P energy: -93.296 bonds (distance) P-C4' energy: -88.028 flat angles C4'-P-C4' energy: -114.249 flat angles P-C4'-P energy: -65.194 tors. eta vs tors. theta energy: -116.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1461.468053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.468053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.468053 (E_RNA) where: Base-Base interactions energy: -984.912 where: short stacking energy: -419.381 Base-Backbone interact. energy: -1.184 local terms energy: -475.372185 where: bonds (distance) C4'-P energy: -89.706 bonds (distance) P-C4' energy: -92.625 flat angles C4'-P-C4' energy: -101.141 flat angles P-C4'-P energy: -64.494 tors. eta vs tors. theta energy: -127.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1265.850569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.850569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.850569 (E_RNA) where: Base-Base interactions energy: -857.383 where: short stacking energy: -349.874 Base-Backbone interact. energy: 0.759 local terms energy: -409.226544 where: bonds (distance) C4'-P energy: -83.965 bonds (distance) P-C4' energy: -93.603 flat angles C4'-P-C4' energy: -91.107 flat angles P-C4'-P energy: -53.684 tors. eta vs tors. theta energy: -86.867 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: 412 Temperature: 1.300000 Total energy: -857.137523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.137523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.137523 (E_RNA) where: Base-Base interactions energy: -469.577 where: short stacking energy: -239.345 Base-Backbone interact. energy: -1.021 local terms energy: -386.539869 where: bonds (distance) C4'-P energy: -98.671 bonds (distance) P-C4' energy: -94.692 flat angles C4'-P-C4' energy: -72.865 flat angles P-C4'-P energy: -73.288 tors. eta vs tors. theta energy: -47.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -439.043665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.043665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.043665 (E_RNA) where: Base-Base interactions energy: -161.754 where: short stacking energy: -119.878 Base-Backbone interact. energy: -0.967 local terms energy: -276.322449 where: bonds (distance) C4'-P energy: -81.276 bonds (distance) P-C4' energy: -103.534 flat angles C4'-P-C4' energy: -62.094 flat angles P-C4'-P energy: -46.000 tors. eta vs tors. theta energy: 16.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1922.581508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.581508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.581508 (E_RNA) where: Base-Base interactions energy: -1338.805 where: short stacking energy: -581.220 Base-Backbone interact. energy: -3.345 local terms energy: -580.431494 where: bonds (distance) C4'-P energy: -99.713 bonds (distance) P-C4' energy: -102.562 flat angles C4'-P-C4' energy: -121.550 flat angles P-C4'-P energy: -83.790 tors. eta vs tors. theta energy: -172.816 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: 413 Temperature: 0.950000 Total energy: -1827.907618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.907618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.907618 (E_RNA) where: Base-Base interactions energy: -1252.789 where: short stacking energy: -547.739 Base-Backbone interact. energy: -1.233 local terms energy: -573.885321 where: bonds (distance) C4'-P energy: -102.413 bonds (distance) P-C4' energy: -100.292 flat angles C4'-P-C4' energy: -122.024 flat angles P-C4'-P energy: -87.817 tors. eta vs tors. theta energy: -161.339 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: 413 Temperature: 1.000000 Total energy: -1747.219609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.219609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.219609 (E_RNA) where: Base-Base interactions energy: -1207.836 where: short stacking energy: -500.732 Base-Backbone interact. energy: -1.987 local terms energy: -537.397445 where: bonds (distance) C4'-P energy: -89.345 bonds (distance) P-C4' energy: -101.470 flat angles C4'-P-C4' energy: -115.042 flat angles P-C4'-P energy: -78.724 tors. eta vs tors. theta energy: -152.816 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: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1708.263956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.263956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.263956 (E_RNA) where: Base-Base interactions energy: -1163.478 where: short stacking energy: -525.624 Base-Backbone interact. energy: -3.701 local terms energy: -541.085730 where: bonds (distance) C4'-P energy: -91.438 bonds (distance) P-C4' energy: -93.907 flat angles C4'-P-C4' energy: -116.120 flat angles P-C4'-P energy: -78.860 tors. eta vs tors. theta energy: -160.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1582.046254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.046254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.046254 (E_RNA) where: Base-Base interactions energy: -1069.168 where: short stacking energy: -449.472 Base-Backbone interact. energy: 2.067 local terms energy: -514.945149 where: bonds (distance) C4'-P energy: -98.993 bonds (distance) P-C4' energy: -98.342 flat angles C4'-P-C4' energy: -122.547 flat angles P-C4'-P energy: -67.380 tors. eta vs tors. theta energy: -127.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1588.147510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.147510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.147510 (E_RNA) where: Base-Base interactions energy: -1102.974 where: short stacking energy: -469.530 Base-Backbone interact. energy: 1.266 local terms energy: -486.439589 where: bonds (distance) C4'-P energy: -85.178 bonds (distance) P-C4' energy: -101.964 flat angles C4'-P-C4' energy: -105.662 flat angles P-C4'-P energy: -63.816 tors. eta vs tors. theta energy: -129.819 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: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1425.114772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.114772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.114772 (E_RNA) where: Base-Base interactions energy: -941.370 where: short stacking energy: -392.327 Base-Backbone interact. energy: -2.282 local terms energy: -481.463201 where: bonds (distance) C4'-P energy: -88.455 bonds (distance) P-C4' energy: -112.930 flat angles C4'-P-C4' energy: -101.340 flat angles P-C4'-P energy: -81.177 tors. eta vs tors. theta energy: -97.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1231.253810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.253810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.253810 (E_RNA) where: Base-Base interactions energy: -851.895 where: short stacking energy: -375.057 Base-Backbone interact. energy: -1.739 local terms energy: -377.619046 where: bonds (distance) C4'-P energy: -72.356 bonds (distance) P-C4' energy: -88.760 flat angles C4'-P-C4' energy: -90.215 flat angles P-C4'-P energy: -52.890 tors. eta vs tors. theta energy: -73.399 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: 413 Temperature: 1.300000 Total energy: -891.472653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.472653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.472653 (E_RNA) where: Base-Base interactions energy: -530.004 where: short stacking energy: -256.790 Base-Backbone interact. energy: -0.417 local terms energy: -361.051195 where: bonds (distance) C4'-P energy: -95.365 bonds (distance) P-C4' energy: -88.088 flat angles C4'-P-C4' energy: -98.594 flat angles P-C4'-P energy: -41.053 tors. eta vs tors. theta energy: -37.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -480.706130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.706130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.706130 (E_RNA) where: Base-Base interactions energy: -205.163 where: short stacking energy: -134.963 Base-Backbone interact. energy: -1.421 local terms energy: -274.121881 where: bonds (distance) C4'-P energy: -69.663 bonds (distance) P-C4' energy: -86.290 flat angles C4'-P-C4' energy: -76.130 flat angles P-C4'-P energy: -48.556 tors. eta vs tors. theta energy: 6.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1922.998081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.998081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.998081 (E_RNA) where: Base-Base interactions energy: -1327.561 where: short stacking energy: -578.401 Base-Backbone interact. energy: -3.787 local terms energy: -591.649950 where: bonds (distance) C4'-P energy: -111.217 bonds (distance) P-C4' energy: -102.987 flat angles C4'-P-C4' energy: -124.582 flat angles P-C4'-P energy: -87.605 tors. eta vs tors. theta energy: -165.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1803.396456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.396456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.396456 (E_RNA) where: Base-Base interactions energy: -1234.909 where: short stacking energy: -535.641 Base-Backbone interact. energy: -2.238 local terms energy: -566.249355 where: bonds (distance) C4'-P energy: -99.353 bonds (distance) P-C4' energy: -113.704 flat angles C4'-P-C4' energy: -120.578 flat angles P-C4'-P energy: -75.618 tors. eta vs tors. theta energy: -156.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1757.683386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.683386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.683386 (E_RNA) where: Base-Base interactions energy: -1215.350 where: short stacking energy: -518.677 Base-Backbone interact. energy: -0.420 local terms energy: -541.913898 where: bonds (distance) C4'-P energy: -95.388 bonds (distance) P-C4' energy: -106.539 flat angles C4'-P-C4' energy: -107.542 flat angles P-C4'-P energy: -71.891 tors. eta vs tors. theta energy: -160.554 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: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1712.198397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.198397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.198397 (E_RNA) where: Base-Base interactions energy: -1172.617 where: short stacking energy: -497.226 Base-Backbone interact. energy: -3.277 local terms energy: -536.304694 where: bonds (distance) C4'-P energy: -92.466 bonds (distance) P-C4' energy: -113.635 flat angles C4'-P-C4' energy: -113.555 flat angles P-C4'-P energy: -66.966 tors. eta vs tors. theta energy: -149.682 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: 10 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1594.895596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.895596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.895596 (E_RNA) where: Base-Base interactions energy: -1081.378 where: short stacking energy: -449.295 Base-Backbone interact. energy: 1.474 local terms energy: -514.991795 where: bonds (distance) C4'-P energy: -99.665 bonds (distance) P-C4' energy: -97.923 flat angles C4'-P-C4' energy: -115.901 flat angles P-C4'-P energy: -68.040 tors. eta vs tors. theta energy: -133.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1545.449284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.449284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.449284 (E_RNA) where: Base-Base interactions energy: -1044.767 where: short stacking energy: -466.216 Base-Backbone interact. energy: 0.557 local terms energy: -501.239158 where: bonds (distance) C4'-P energy: -89.808 bonds (distance) P-C4' energy: -96.176 flat angles C4'-P-C4' energy: -119.379 flat angles P-C4'-P energy: -65.216 tors. eta vs tors. theta energy: -130.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1444.033553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.033553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.033553 (E_RNA) where: Base-Base interactions energy: -977.028 where: short stacking energy: -428.384 Base-Backbone interact. energy: 1.228 local terms energy: -468.233556 where: bonds (distance) C4'-P energy: -88.465 bonds (distance) P-C4' energy: -89.826 flat angles C4'-P-C4' energy: -106.468 flat angles P-C4'-P energy: -68.963 tors. eta vs tors. theta energy: -114.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1238.295019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.295019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.295019 (E_RNA) where: Base-Base interactions energy: -850.527 where: short stacking energy: -367.537 Base-Backbone interact. energy: -2.811 local terms energy: -384.957527 where: bonds (distance) C4'-P energy: -76.207 bonds (distance) P-C4' energy: -83.531 flat angles C4'-P-C4' energy: -90.958 flat angles P-C4'-P energy: -54.872 tors. eta vs tors. theta energy: -79.390 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: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -858.898827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.898827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.898827 (E_RNA) where: Base-Base interactions energy: -499.695 where: short stacking energy: -232.543 Base-Backbone interact. energy: 4.747 local terms energy: -363.950181 where: bonds (distance) C4'-P energy: -90.000 bonds (distance) P-C4' energy: -90.352 flat angles C4'-P-C4' energy: -100.867 flat angles P-C4'-P energy: -51.883 tors. eta vs tors. theta energy: -30.847 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: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -487.266696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.266696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.266696 (E_RNA) where: Base-Base interactions energy: -202.076 where: short stacking energy: -147.934 Base-Backbone interact. energy: -0.247 local terms energy: -284.943577 where: bonds (distance) C4'-P energy: -87.244 bonds (distance) P-C4' energy: -94.488 flat angles C4'-P-C4' energy: -75.711 flat angles P-C4'-P energy: -47.802 tors. eta vs tors. theta energy: 20.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1948.003986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.003986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.003986 (E_RNA) where: Base-Base interactions energy: -1323.679 where: short stacking energy: -584.042 Base-Backbone interact. energy: -2.633 local terms energy: -621.692438 where: bonds (distance) C4'-P energy: -116.736 bonds (distance) P-C4' energy: -109.686 flat angles C4'-P-C4' energy: -132.583 flat angles P-C4'-P energy: -85.748 tors. eta vs tors. theta energy: -176.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1855.229236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.229236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.229236 (E_RNA) where: Base-Base interactions energy: -1277.834 where: short stacking energy: -549.147 Base-Backbone interact. energy: -1.196 local terms energy: -576.199100 where: bonds (distance) C4'-P energy: -104.604 bonds (distance) P-C4' energy: -105.781 flat angles C4'-P-C4' energy: -123.032 flat angles P-C4'-P energy: -76.736 tors. eta vs tors. theta energy: -166.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1748.118272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.118272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.118272 (E_RNA) where: Base-Base interactions energy: -1197.321 where: short stacking energy: -489.760 Base-Backbone interact. energy: -3.936 local terms energy: -546.861616 where: bonds (distance) C4'-P energy: -105.975 bonds (distance) P-C4' energy: -103.533 flat angles C4'-P-C4' energy: -121.641 flat angles P-C4'-P energy: -77.280 tors. eta vs tors. theta energy: -138.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1679.957911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.957911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.957911 (E_RNA) where: Base-Base interactions energy: -1155.914 where: short stacking energy: -492.829 Base-Backbone interact. energy: -1.296 local terms energy: -522.747823 where: bonds (distance) C4'-P energy: -92.357 bonds (distance) P-C4' energy: -115.790 flat angles C4'-P-C4' energy: -101.169 flat angles P-C4'-P energy: -74.880 tors. eta vs tors. theta energy: -138.552 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: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1559.487099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.487099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.487099 (E_RNA) where: Base-Base interactions energy: -1081.996 where: short stacking energy: -482.074 Base-Backbone interact. energy: -1.807 local terms energy: -475.683955 where: bonds (distance) C4'-P energy: -77.350 bonds (distance) P-C4' energy: -93.548 flat angles C4'-P-C4' energy: -112.114 flat angles P-C4'-P energy: -61.776 tors. eta vs tors. theta energy: -130.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1487.236150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.236150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.236150 (E_RNA) where: Base-Base interactions energy: -990.987 where: short stacking energy: -416.673 Base-Backbone interact. energy: 3.124 local terms energy: -499.373881 where: bonds (distance) C4'-P energy: -92.281 bonds (distance) P-C4' energy: -94.143 flat angles C4'-P-C4' energy: -110.099 flat angles P-C4'-P energy: -73.903 tors. eta vs tors. theta energy: -128.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1382.618275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.618275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.618275 (E_RNA) where: Base-Base interactions energy: -931.181 where: short stacking energy: -409.179 Base-Backbone interact. energy: 3.553 local terms energy: -454.989793 where: bonds (distance) C4'-P energy: -91.850 bonds (distance) P-C4' energy: -93.429 flat angles C4'-P-C4' energy: -104.159 flat angles P-C4'-P energy: -64.070 tors. eta vs tors. theta energy: -101.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1250.711425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.711425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.711425 (E_RNA) where: Base-Base interactions energy: -822.422 where: short stacking energy: -374.268 Base-Backbone interact. energy: -0.655 local terms energy: -427.634397 where: bonds (distance) C4'-P energy: -103.651 bonds (distance) P-C4' energy: -71.569 flat angles C4'-P-C4' energy: -84.809 flat angles P-C4'-P energy: -62.156 tors. eta vs tors. theta energy: -105.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -864.143503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.143503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.143503 (E_RNA) where: Base-Base interactions energy: -505.451 where: short stacking energy: -227.870 Base-Backbone interact. energy: 0.295 local terms energy: -358.988070 where: bonds (distance) C4'-P energy: -81.964 bonds (distance) P-C4' energy: -103.494 flat angles C4'-P-C4' energy: -92.056 flat angles P-C4'-P energy: -58.075 tors. eta vs tors. theta energy: -23.398 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: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -489.932999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.932999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.932999 (E_RNA) where: Base-Base interactions energy: -221.911 where: short stacking energy: -129.936 Base-Backbone interact. energy: 11.043 local terms energy: -279.065547 where: bonds (distance) C4'-P energy: -71.662 bonds (distance) P-C4' energy: -85.763 flat angles C4'-P-C4' energy: -83.761 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: 12.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1915.457799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.457799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.457799 (E_RNA) where: Base-Base interactions energy: -1315.923 where: short stacking energy: -573.282 Base-Backbone interact. energy: -0.095 local terms energy: -599.439552 where: bonds (distance) C4'-P energy: -106.940 bonds (distance) P-C4' energy: -109.340 flat angles C4'-P-C4' energy: -122.564 flat angles P-C4'-P energy: -91.852 tors. eta vs tors. theta energy: -168.743 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: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1878.111658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.111658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.111658 (E_RNA) where: Base-Base interactions energy: -1298.579 where: short stacking energy: -548.352 Base-Backbone interact. energy: -2.048 local terms energy: -577.484378 where: bonds (distance) C4'-P energy: -104.653 bonds (distance) P-C4' energy: -105.894 flat angles C4'-P-C4' energy: -121.619 flat angles P-C4'-P energy: -79.601 tors. eta vs tors. theta energy: -165.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1752.035950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.035950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.035950 (E_RNA) where: Base-Base interactions energy: -1193.881 where: short stacking energy: -507.330 Base-Backbone interact. energy: -2.607 local terms energy: -555.548004 where: bonds (distance) C4'-P energy: -103.645 bonds (distance) P-C4' energy: -111.029 flat angles C4'-P-C4' energy: -125.909 flat angles P-C4'-P energy: -70.451 tors. eta vs tors. theta energy: -144.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1699.743716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.743716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.743716 (E_RNA) where: Base-Base interactions energy: -1159.495 where: short stacking energy: -480.448 Base-Backbone interact. energy: -4.444 local terms energy: -535.804445 where: bonds (distance) C4'-P energy: -104.574 bonds (distance) P-C4' energy: -111.633 flat angles C4'-P-C4' energy: -109.053 flat angles P-C4'-P energy: -72.246 tors. eta vs tors. theta energy: -138.298 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: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1573.117126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.117126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.117126 (E_RNA) where: Base-Base interactions energy: -1060.656 where: short stacking energy: -471.893 Base-Backbone interact. energy: 1.149 local terms energy: -513.609725 where: bonds (distance) C4'-P energy: -106.621 bonds (distance) P-C4' energy: -102.635 flat angles C4'-P-C4' energy: -107.092 flat angles P-C4'-P energy: -66.747 tors. eta vs tors. theta energy: -130.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1495.081937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.081937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.081937 (E_RNA) where: Base-Base interactions energy: -1018.699 where: short stacking energy: -423.053 Base-Backbone interact. energy: 0.838 local terms energy: -477.221367 where: bonds (distance) C4'-P energy: -90.596 bonds (distance) P-C4' energy: -94.357 flat angles C4'-P-C4' energy: -106.068 flat angles P-C4'-P energy: -75.876 tors. eta vs tors. theta energy: -110.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1456.869433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.869433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.869433 (E_RNA) where: Base-Base interactions energy: -959.795 where: short stacking energy: -444.104 Base-Backbone interact. energy: 1.095 local terms energy: -498.168882 where: bonds (distance) C4'-P energy: -101.687 bonds (distance) P-C4' energy: -109.631 flat angles C4'-P-C4' energy: -97.838 flat angles P-C4'-P energy: -78.749 tors. eta vs tors. theta energy: -110.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1207.429103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.429103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.429103 (E_RNA) where: Base-Base interactions energy: -791.299 where: short stacking energy: -342.117 Base-Backbone interact. energy: -1.372 local terms energy: -414.758397 where: bonds (distance) C4'-P energy: -91.988 bonds (distance) P-C4' energy: -94.532 flat angles C4'-P-C4' energy: -76.402 flat angles P-C4'-P energy: -68.198 tors. eta vs tors. theta energy: -83.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -927.571606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.571606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.571606 (E_RNA) where: Base-Base interactions energy: -563.305 where: short stacking energy: -255.678 Base-Backbone interact. energy: -3.820 local terms energy: -360.447231 where: bonds (distance) C4'-P energy: -85.453 bonds (distance) P-C4' energy: -90.831 flat angles C4'-P-C4' energy: -81.101 flat angles P-C4'-P energy: -55.021 tors. eta vs tors. theta energy: -48.041 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: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -488.449075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.449075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.449075 (E_RNA) where: Base-Base interactions energy: -207.808 where: short stacking energy: -140.521 Base-Backbone interact. energy: 0.442 local terms energy: -281.082151 where: bonds (distance) C4'-P energy: -81.444 bonds (distance) P-C4' energy: -88.287 flat angles C4'-P-C4' energy: -75.507 flat angles P-C4'-P energy: -46.267 tors. eta vs tors. theta energy: 10.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1943.006120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.006120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.006120 (E_RNA) where: Base-Base interactions energy: -1358.001 where: short stacking energy: -559.109 Base-Backbone interact. energy: -1.411 local terms energy: -583.593965 where: bonds (distance) C4'-P energy: -105.856 bonds (distance) P-C4' energy: -112.717 flat angles C4'-P-C4' energy: -119.660 flat angles P-C4'-P energy: -74.070 tors. eta vs tors. theta energy: -171.291 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: 5 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1879.136541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.136541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.136541 (E_RNA) where: Base-Base interactions energy: -1278.337 where: short stacking energy: -548.351 Base-Backbone interact. energy: -1.780 local terms energy: -599.019488 where: bonds (distance) C4'-P energy: -98.636 bonds (distance) P-C4' energy: -119.964 flat angles C4'-P-C4' energy: -124.754 flat angles P-C4'-P energy: -84.010 tors. eta vs tors. theta energy: -171.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1776.861156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.861156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.861156 (E_RNA) where: Base-Base interactions energy: -1208.225 where: short stacking energy: -512.869 Base-Backbone interact. energy: -3.346 local terms energy: -565.290428 where: bonds (distance) C4'-P energy: -105.435 bonds (distance) P-C4' energy: -108.447 flat angles C4'-P-C4' energy: -121.331 flat angles P-C4'-P energy: -73.304 tors. eta vs tors. theta energy: -156.774 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: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1636.181599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.181599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.181599 (E_RNA) where: Base-Base interactions energy: -1118.014 where: short stacking energy: -468.965 Base-Backbone interact. energy: 3.063 local terms energy: -521.230171 where: bonds (distance) C4'-P energy: -100.501 bonds (distance) P-C4' energy: -104.542 flat angles C4'-P-C4' energy: -105.516 flat angles P-C4'-P energy: -84.422 tors. eta vs tors. theta energy: -126.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1561.289659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.289659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.289659 (E_RNA) where: Base-Base interactions energy: -1048.948 where: short stacking energy: -445.178 Base-Backbone interact. energy: -0.960 local terms energy: -511.381635 where: bonds (distance) C4'-P energy: -86.736 bonds (distance) P-C4' energy: -106.809 flat angles C4'-P-C4' energy: -106.620 flat angles P-C4'-P energy: -82.949 tors. eta vs tors. theta energy: -128.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1460.943303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.943303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.943303 (E_RNA) where: Base-Base interactions energy: -978.699 where: short stacking energy: -438.086 Base-Backbone interact. energy: -1.340 local terms energy: -480.904940 where: bonds (distance) C4'-P energy: -85.309 bonds (distance) P-C4' energy: -99.072 flat angles C4'-P-C4' energy: -111.375 flat angles P-C4'-P energy: -62.806 tors. eta vs tors. theta energy: -122.342 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: 417 Temperature: 1.200000 Total energy: -1485.524712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.524712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.524712 (E_RNA) where: Base-Base interactions energy: -994.483 where: short stacking energy: -445.174 Base-Backbone interact. energy: 2.120 local terms energy: -493.161803 where: bonds (distance) C4'-P energy: -104.509 bonds (distance) P-C4' energy: -91.608 flat angles C4'-P-C4' energy: -116.332 flat angles P-C4'-P energy: -66.298 tors. eta vs tors. theta energy: -114.414 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: 417 Temperature: 1.250000 Total energy: -1226.384707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.384707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.384707 (E_RNA) where: Base-Base interactions energy: -810.079 where: short stacking energy: -327.549 Base-Backbone interact. energy: 2.539 local terms energy: -418.844964 where: bonds (distance) C4'-P energy: -88.945 bonds (distance) P-C4' energy: -98.154 flat angles C4'-P-C4' energy: -102.778 flat angles P-C4'-P energy: -57.719 tors. eta vs tors. theta energy: -71.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -865.403598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.403598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.403598 (E_RNA) where: Base-Base interactions energy: -539.291 where: short stacking energy: -252.444 Base-Backbone interact. energy: 3.660 local terms energy: -329.772999 where: bonds (distance) C4'-P energy: -78.205 bonds (distance) P-C4' energy: -85.526 flat angles C4'-P-C4' energy: -79.918 flat angles P-C4'-P energy: -45.424 tors. eta vs tors. theta energy: -40.700 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: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -460.814767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.814767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.814767 (E_RNA) where: Base-Base interactions energy: -181.815 where: short stacking energy: -141.310 Base-Backbone interact. energy: -1.152 local terms energy: -277.847181 where: bonds (distance) C4'-P energy: -70.023 bonds (distance) P-C4' energy: -89.157 flat angles C4'-P-C4' energy: -96.700 flat angles P-C4'-P energy: -40.751 tors. eta vs tors. theta energy: 18.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1939.380031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.380031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.380031 (E_RNA) where: Base-Base interactions energy: -1332.791 where: short stacking energy: -589.060 Base-Backbone interact. energy: -0.283 local terms energy: -606.306371 where: bonds (distance) C4'-P energy: -116.876 bonds (distance) P-C4' energy: -113.621 flat angles C4'-P-C4' energy: -117.370 flat angles P-C4'-P energy: -87.296 tors. eta vs tors. theta energy: -171.144 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: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1857.864103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.864103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.864103 (E_RNA) where: Base-Base interactions energy: -1294.250 where: short stacking energy: -536.967 Base-Backbone interact. energy: -3.121 local terms energy: -560.493474 where: bonds (distance) C4'-P energy: -100.576 bonds (distance) P-C4' energy: -102.470 flat angles C4'-P-C4' energy: -115.720 flat angles P-C4'-P energy: -78.206 tors. eta vs tors. theta energy: -163.521 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: 4 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1768.147724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.147724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.147724 (E_RNA) where: Base-Base interactions energy: -1221.700 where: short stacking energy: -541.524 Base-Backbone interact. energy: -1.795 local terms energy: -544.653462 where: bonds (distance) C4'-P energy: -89.525 bonds (distance) P-C4' energy: -102.671 flat angles C4'-P-C4' energy: -120.389 flat angles P-C4'-P energy: -75.915 tors. eta vs tors. theta energy: -156.153 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: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1695.962270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.962270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.962270 (E_RNA) where: Base-Base interactions energy: -1166.617 where: short stacking energy: -484.456 Base-Backbone interact. energy: -4.833 local terms energy: -524.511438 where: bonds (distance) C4'-P energy: -92.775 bonds (distance) P-C4' energy: -109.942 flat angles C4'-P-C4' energy: -114.436 flat angles P-C4'-P energy: -75.555 tors. eta vs tors. theta energy: -131.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1574.027504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.027504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.027504 (E_RNA) where: Base-Base interactions energy: -1089.110 where: short stacking energy: -448.474 Base-Backbone interact. energy: -0.600 local terms energy: -484.317631 where: bonds (distance) C4'-P energy: -80.223 bonds (distance) P-C4' energy: -93.095 flat angles C4'-P-C4' energy: -114.743 flat angles P-C4'-P energy: -70.262 tors. eta vs tors. theta energy: -125.995 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: 6, replica: 2 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1523.570053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.570053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.570053 (E_RNA) where: Base-Base interactions energy: -1055.423 where: short stacking energy: -431.145 Base-Backbone interact. energy: -1.263 local terms energy: -466.883646 where: bonds (distance) C4'-P energy: -85.350 bonds (distance) P-C4' energy: -90.288 flat angles C4'-P-C4' energy: -100.437 flat angles P-C4'-P energy: -67.845 tors. eta vs tors. theta energy: -122.964 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: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1425.591402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.591402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.591402 (E_RNA) where: Base-Base interactions energy: -950.427 where: short stacking energy: -400.846 Base-Backbone interact. energy: -4.029 local terms energy: -471.135277 where: bonds (distance) C4'-P energy: -91.695 bonds (distance) P-C4' energy: -101.574 flat angles C4'-P-C4' energy: -100.289 flat angles P-C4'-P energy: -66.045 tors. eta vs tors. theta energy: -111.533 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: 418 Temperature: 1.250000 Total energy: -1274.902911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.902911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.902911 (E_RNA) where: Base-Base interactions energy: -849.487 where: short stacking energy: -358.349 Base-Backbone interact. energy: -0.661 local terms energy: -424.755522 where: bonds (distance) C4'-P energy: -90.017 bonds (distance) P-C4' energy: -94.203 flat angles C4'-P-C4' energy: -91.029 flat angles P-C4'-P energy: -67.504 tors. eta vs tors. theta energy: -82.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -924.716835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.716835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.716835 (E_RNA) where: Base-Base interactions energy: -559.656 where: short stacking energy: -250.451 Base-Backbone interact. energy: -1.536 local terms energy: -363.524748 where: bonds (distance) C4'-P energy: -93.322 bonds (distance) P-C4' energy: -86.198 flat angles C4'-P-C4' energy: -94.373 flat angles P-C4'-P energy: -58.076 tors. eta vs tors. theta energy: -31.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -419.348817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.348817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.348817 (E_RNA) where: Base-Base interactions energy: -143.473 where: short stacking energy: -129.037 Base-Backbone interact. energy: 5.070 local terms energy: -280.945265 where: bonds (distance) C4'-P energy: -94.538 bonds (distance) P-C4' energy: -90.164 flat angles C4'-P-C4' energy: -79.332 flat angles P-C4'-P energy: -45.991 tors. eta vs tors. theta energy: 29.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1929.382210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.382210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.382210 (E_RNA) where: Base-Base interactions energy: -1331.592 where: short stacking energy: -578.561 Base-Backbone interact. energy: -1.630 local terms energy: -596.159828 where: bonds (distance) C4'-P energy: -101.916 bonds (distance) P-C4' energy: -104.657 flat angles C4'-P-C4' energy: -129.444 flat angles P-C4'-P energy: -85.323 tors. eta vs tors. theta energy: -174.819 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: 419 Temperature: 0.950000 Total energy: -1845.540792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.540792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.540792 (E_RNA) where: Base-Base interactions energy: -1261.065 where: short stacking energy: -532.524 Base-Backbone interact. energy: -4.917 local terms energy: -579.558613 where: bonds (distance) C4'-P energy: -96.067 bonds (distance) P-C4' energy: -110.799 flat angles C4'-P-C4' energy: -112.750 flat angles P-C4'-P energy: -95.553 tors. eta vs tors. theta energy: -164.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1744.291453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.291453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.291453 (E_RNA) where: Base-Base interactions energy: -1182.942 where: short stacking energy: -523.921 Base-Backbone interact. energy: -4.145 local terms energy: -557.205204 where: bonds (distance) C4'-P energy: -101.713 bonds (distance) P-C4' energy: -112.112 flat angles C4'-P-C4' energy: -120.615 flat angles P-C4'-P energy: -64.631 tors. eta vs tors. theta energy: -158.135 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: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1681.294054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.294054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.294054 (E_RNA) where: Base-Base interactions energy: -1140.249 where: short stacking energy: -483.214 Base-Backbone interact. energy: -0.866 local terms energy: -540.178496 where: bonds (distance) C4'-P energy: -93.676 bonds (distance) P-C4' energy: -107.091 flat angles C4'-P-C4' energy: -114.955 flat angles P-C4'-P energy: -79.592 tors. eta vs tors. theta energy: -144.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1549.004937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.004937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.004937 (E_RNA) where: Base-Base interactions energy: -1015.056 where: short stacking energy: -454.481 Base-Backbone interact. energy: -0.777 local terms energy: -533.171706 where: bonds (distance) C4'-P energy: -114.791 bonds (distance) P-C4' energy: -99.284 flat angles C4'-P-C4' energy: -121.375 flat angles P-C4'-P energy: -78.147 tors. eta vs tors. theta energy: -119.575 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: 419 Temperature: 1.150000 Total energy: -1525.762165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.762165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.762165 (E_RNA) where: Base-Base interactions energy: -1062.170 where: short stacking energy: -461.769 Base-Backbone interact. energy: 0.240 local terms energy: -463.832891 where: bonds (distance) C4'-P energy: -82.588 bonds (distance) P-C4' energy: -88.898 flat angles C4'-P-C4' energy: -103.297 flat angles P-C4'-P energy: -64.663 tors. eta vs tors. theta energy: -124.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1484.167906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.167906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.167906 (E_RNA) where: Base-Base interactions energy: -1041.240 where: short stacking energy: -453.619 Base-Backbone interact. energy: -3.190 local terms energy: -439.737561 where: bonds (distance) C4'-P energy: -90.303 bonds (distance) P-C4' energy: -69.989 flat angles C4'-P-C4' energy: -103.834 flat angles P-C4'-P energy: -59.483 tors. eta vs tors. theta energy: -116.129 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: 419 Temperature: 1.250000 Total energy: -1246.665735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.665735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.665735 (E_RNA) where: Base-Base interactions energy: -834.620 where: short stacking energy: -373.552 Base-Backbone interact. energy: -1.653 local terms energy: -410.392698 where: bonds (distance) C4'-P energy: -76.984 bonds (distance) P-C4' energy: -96.932 flat angles C4'-P-C4' energy: -87.187 flat angles P-C4'-P energy: -62.870 tors. eta vs tors. theta energy: -86.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -953.012848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.012848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.012848 (E_RNA) where: Base-Base interactions energy: -598.273 where: short stacking energy: -277.391 Base-Backbone interact. energy: 0.027 local terms energy: -354.766317 where: bonds (distance) C4'-P energy: -89.087 bonds (distance) P-C4' energy: -75.117 flat angles C4'-P-C4' energy: -80.987 flat angles P-C4'-P energy: -55.126 tors. eta vs tors. theta energy: -54.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -459.877551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.877551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.877551 (E_RNA) where: Base-Base interactions energy: -167.965 where: short stacking energy: -141.813 Base-Backbone interact. energy: 2.015 local terms energy: -293.927700 where: bonds (distance) C4'-P energy: -94.936 bonds (distance) P-C4' energy: -87.741 flat angles C4'-P-C4' energy: -73.601 flat angles P-C4'-P energy: -41.856 tors. eta vs tors. theta energy: 4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1929.875636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.875636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.875636 (E_RNA) where: Base-Base interactions energy: -1347.522 where: short stacking energy: -570.002 Base-Backbone interact. energy: 0.007 local terms energy: -582.360931 where: bonds (distance) C4'-P energy: -99.871 bonds (distance) P-C4' energy: -113.892 flat angles C4'-P-C4' energy: -127.929 flat angles P-C4'-P energy: -78.435 tors. eta vs tors. theta energy: -162.235 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: 420 Temperature: 0.950000 Total energy: -1850.142455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.142455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.142455 (E_RNA) where: Base-Base interactions energy: -1288.246 where: short stacking energy: -534.857 Base-Backbone interact. energy: -3.100 local terms energy: -558.796521 where: bonds (distance) C4'-P energy: -97.871 bonds (distance) P-C4' energy: -93.774 flat angles C4'-P-C4' energy: -115.440 flat angles P-C4'-P energy: -93.238 tors. eta vs tors. theta energy: -158.473 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: 3, replica: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1687.689868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.689868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.689868 (E_RNA) where: Base-Base interactions energy: -1145.210 where: short stacking energy: -511.427 Base-Backbone interact. energy: -1.300 local terms energy: -541.179440 where: bonds (distance) C4'-P energy: -104.611 bonds (distance) P-C4' energy: -104.090 flat angles C4'-P-C4' energy: -118.713 flat angles P-C4'-P energy: -71.067 tors. eta vs tors. theta energy: -142.698 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: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1733.154166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.154166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.154166 (E_RNA) where: Base-Base interactions energy: -1199.653 where: short stacking energy: -505.760 Base-Backbone interact. energy: -2.147 local terms energy: -531.353931 where: bonds (distance) C4'-P energy: -95.876 bonds (distance) P-C4' energy: -88.866 flat angles C4'-P-C4' energy: -121.177 flat angles P-C4'-P energy: -67.641 tors. eta vs tors. theta energy: -157.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1534.517987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.517987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.517987 (E_RNA) where: Base-Base interactions energy: -1010.502 where: short stacking energy: -441.168 Base-Backbone interact. energy: -3.296 local terms energy: -520.720009 where: bonds (distance) C4'-P energy: -109.074 bonds (distance) P-C4' energy: -103.924 flat angles C4'-P-C4' energy: -110.044 flat angles P-C4'-P energy: -75.669 tors. eta vs tors. theta energy: -122.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1571.800825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.800825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.800825 (E_RNA) where: Base-Base interactions energy: -1101.413 where: short stacking energy: -446.858 Base-Backbone interact. energy: 0.569 local terms energy: -470.957010 where: bonds (distance) C4'-P energy: -85.937 bonds (distance) P-C4' energy: -92.236 flat angles C4'-P-C4' energy: -106.497 flat angles P-C4'-P energy: -69.122 tors. eta vs tors. theta energy: -117.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1483.311319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.311319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.311319 (E_RNA) where: Base-Base interactions energy: -1017.431 where: short stacking energy: -430.072 Base-Backbone interact. energy: -2.332 local terms energy: -463.548341 where: bonds (distance) C4'-P energy: -83.043 bonds (distance) P-C4' energy: -110.146 flat angles C4'-P-C4' energy: -103.452 flat angles P-C4'-P energy: -61.148 tors. eta vs tors. theta energy: -105.759 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: 420 Temperature: 1.250000 Total energy: -1248.515703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.515703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.515703 (E_RNA) where: Base-Base interactions energy: -831.405 where: short stacking energy: -364.193 Base-Backbone interact. energy: -1.116 local terms energy: -415.994739 where: bonds (distance) C4'-P energy: -87.608 bonds (distance) P-C4' energy: -97.851 flat angles C4'-P-C4' energy: -95.564 flat angles P-C4'-P energy: -59.311 tors. eta vs tors. theta energy: -75.661 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: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -884.908448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.908448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.908448 (E_RNA) where: Base-Base interactions energy: -537.948 where: short stacking energy: -239.576 Base-Backbone interact. energy: -0.729 local terms energy: -346.232207 where: bonds (distance) C4'-P energy: -87.169 bonds (distance) P-C4' energy: -93.537 flat angles C4'-P-C4' energy: -92.305 flat angles P-C4'-P energy: -43.851 tors. eta vs tors. theta energy: -29.369 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: 8 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -443.250095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.250095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.250095 (E_RNA) where: Base-Base interactions energy: -170.683 where: short stacking energy: -131.064 Base-Backbone interact. energy: -3.161 local terms energy: -269.406062 where: bonds (distance) C4'-P energy: -81.398 bonds (distance) P-C4' energy: -98.820 flat angles C4'-P-C4' energy: -66.893 flat angles P-C4'-P energy: -40.184 tors. eta vs tors. theta energy: 17.890 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: 7 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1926.588137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.588137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.588137 (E_RNA) where: Base-Base interactions energy: -1333.651 where: short stacking energy: -590.067 Base-Backbone interact. energy: -0.737 local terms energy: -592.200010 where: bonds (distance) C4'-P energy: -101.374 bonds (distance) P-C4' energy: -100.076 flat angles C4'-P-C4' energy: -138.347 flat angles P-C4'-P energy: -77.112 tors. eta vs tors. theta energy: -175.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1884.318022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.318022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.318022 (E_RNA) where: Base-Base interactions energy: -1297.109 where: short stacking energy: -561.943 Base-Backbone interact. energy: -2.066 local terms energy: -585.143199 where: bonds (distance) C4'-P energy: -97.557 bonds (distance) P-C4' energy: -102.753 flat angles C4'-P-C4' energy: -123.417 flat angles P-C4'-P energy: -95.956 tors. eta vs tors. theta energy: -165.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1751.814642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.814642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.814642 (E_RNA) where: Base-Base interactions energy: -1160.202 where: short stacking energy: -517.261 Base-Backbone interact. energy: -4.176 local terms energy: -587.436047 where: bonds (distance) C4'-P energy: -106.219 bonds (distance) P-C4' energy: -115.893 flat angles C4'-P-C4' energy: -121.038 flat angles P-C4'-P energy: -84.228 tors. eta vs tors. theta energy: -160.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1715.768761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.768761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.768761 (E_RNA) where: Base-Base interactions energy: -1169.492 where: short stacking energy: -515.643 Base-Backbone interact. energy: -0.867 local terms energy: -545.409847 where: bonds (distance) C4'-P energy: -86.655 bonds (distance) P-C4' energy: -98.730 flat angles C4'-P-C4' energy: -125.565 flat angles P-C4'-P energy: -73.432 tors. eta vs tors. theta energy: -161.028 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: 5, replica: 10 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1587.334385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.334385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.334385 (E_RNA) where: Base-Base interactions energy: -1068.805 where: short stacking energy: -447.748 Base-Backbone interact. energy: -3.142 local terms energy: -515.388362 where: bonds (distance) C4'-P energy: -84.167 bonds (distance) P-C4' energy: -112.246 flat angles C4'-P-C4' energy: -109.002 flat angles P-C4'-P energy: -71.036 tors. eta vs tors. theta energy: -138.938 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: 2 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1548.216917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.216917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.216917 (E_RNA) where: Base-Base interactions energy: -1070.215 where: short stacking energy: -458.424 Base-Backbone interact. energy: -0.048 local terms energy: -477.953854 where: bonds (distance) C4'-P energy: -83.916 bonds (distance) P-C4' energy: -84.763 flat angles C4'-P-C4' energy: -112.694 flat angles P-C4'-P energy: -73.658 tors. eta vs tors. theta energy: -122.923 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: 421 Temperature: 1.200000 Total energy: -1490.969169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.969169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.969169 (E_RNA) where: Base-Base interactions energy: -1022.559 where: short stacking energy: -441.594 Base-Backbone interact. energy: -1.989 local terms energy: -466.420701 where: bonds (distance) C4'-P energy: -88.082 bonds (distance) P-C4' energy: -96.813 flat angles C4'-P-C4' energy: -101.652 flat angles P-C4'-P energy: -52.791 tors. eta vs tors. theta energy: -127.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1223.274638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.274638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.274638 (E_RNA) where: Base-Base interactions energy: -787.246 where: short stacking energy: -329.704 Base-Backbone interact. energy: -0.597 local terms energy: -435.432288 where: bonds (distance) C4'-P energy: -91.005 bonds (distance) P-C4' energy: -106.944 flat angles C4'-P-C4' energy: -105.644 flat angles P-C4'-P energy: -58.042 tors. eta vs tors. theta energy: -73.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -861.512416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.512416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.512416 (E_RNA) where: Base-Base interactions energy: -506.255 where: short stacking energy: -236.479 Base-Backbone interact. energy: -0.814 local terms energy: -354.443510 where: bonds (distance) C4'-P energy: -80.150 bonds (distance) P-C4' energy: -96.095 flat angles C4'-P-C4' energy: -89.977 flat angles P-C4'-P energy: -58.975 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: 10, replica: 8 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -441.352009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.352009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.352009 (E_RNA) where: Base-Base interactions energy: -155.835 where: short stacking energy: -122.829 Base-Backbone interact. energy: -0.352 local terms energy: -285.164415 where: bonds (distance) C4'-P energy: -77.530 bonds (distance) P-C4' energy: -84.770 flat angles C4'-P-C4' energy: -85.971 flat angles P-C4'-P energy: -58.961 tors. eta vs tors. theta energy: 22.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1925.546678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.546678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.546678 (E_RNA) where: Base-Base interactions energy: -1334.846 where: short stacking energy: -574.778 Base-Backbone interact. energy: -2.432 local terms energy: -588.268590 where: bonds (distance) C4'-P energy: -124.075 bonds (distance) P-C4' energy: -96.518 flat angles C4'-P-C4' energy: -119.881 flat angles P-C4'-P energy: -75.769 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: 2, replica: 7 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1897.540811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.540811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.540811 (E_RNA) where: Base-Base interactions energy: -1304.688 where: short stacking energy: -592.514 Base-Backbone interact. energy: -2.505 local terms energy: -590.348578 where: bonds (distance) C4'-P energy: -102.146 bonds (distance) P-C4' energy: -104.749 flat angles C4'-P-C4' energy: -124.458 flat angles P-C4'-P energy: -83.217 tors. eta vs tors. theta energy: -175.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1734.441325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.441325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.441325 (E_RNA) where: Base-Base interactions energy: -1178.752 where: short stacking energy: -487.321 Base-Backbone interact. energy: -3.662 local terms energy: -552.026692 where: bonds (distance) C4'-P energy: -98.836 bonds (distance) P-C4' energy: -103.904 flat angles C4'-P-C4' energy: -128.200 flat angles P-C4'-P energy: -76.308 tors. eta vs tors. theta energy: -144.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1704.098143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.098143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.098143 (E_RNA) where: Base-Base interactions energy: -1185.805 where: short stacking energy: -507.682 Base-Backbone interact. energy: -2.914 local terms energy: -515.378491 where: bonds (distance) C4'-P energy: -96.144 bonds (distance) P-C4' energy: -80.765 flat angles C4'-P-C4' energy: -109.909 flat angles P-C4'-P energy: -84.397 tors. eta vs tors. theta energy: -144.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1601.724889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.724889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.724889 (E_RNA) where: Base-Base interactions energy: -1097.200 where: short stacking energy: -431.697 Base-Backbone interact. energy: -2.153 local terms energy: -502.371473 where: bonds (distance) C4'-P energy: -92.848 bonds (distance) P-C4' energy: -105.707 flat angles C4'-P-C4' energy: -117.608 flat angles P-C4'-P energy: -65.720 tors. eta vs tors. theta energy: -120.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1581.400531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.400531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.400531 (E_RNA) where: Base-Base interactions energy: -1088.003 where: short stacking energy: -451.756 Base-Backbone interact. energy: 3.323 local terms energy: -496.720139 where: bonds (distance) C4'-P energy: -99.443 bonds (distance) P-C4' energy: -90.776 flat angles C4'-P-C4' energy: -110.684 flat angles P-C4'-P energy: -70.658 tors. eta vs tors. theta energy: -125.159 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: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1516.402187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.402187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.402187 (E_RNA) where: Base-Base interactions energy: -1023.218 where: short stacking energy: -435.877 Base-Backbone interact. energy: -1.322 local terms energy: -491.861711 where: bonds (distance) C4'-P energy: -89.458 bonds (distance) P-C4' energy: -93.950 flat angles C4'-P-C4' energy: -104.490 flat angles P-C4'-P energy: -81.962 tors. eta vs tors. theta energy: -122.002 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: 422 Temperature: 1.250000 Total energy: -1193.281591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.281591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.281591 (E_RNA) where: Base-Base interactions energy: -796.629 where: short stacking energy: -349.450 Base-Backbone interact. energy: -4.338 local terms energy: -392.314429 where: bonds (distance) C4'-P energy: -82.030 bonds (distance) P-C4' energy: -93.051 flat angles C4'-P-C4' energy: -80.894 flat angles P-C4'-P energy: -56.183 tors. eta vs tors. theta energy: -80.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -821.252619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.252619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.252619 (E_RNA) where: Base-Base interactions energy: -498.462 where: short stacking energy: -231.156 Base-Backbone interact. energy: -1.674 local terms energy: -321.116307 where: bonds (distance) C4'-P energy: -81.233 bonds (distance) P-C4' energy: -96.911 flat angles C4'-P-C4' energy: -84.277 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -13.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -418.490664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.490664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.490664 (E_RNA) where: Base-Base interactions energy: -168.640 where: short stacking energy: -112.724 Base-Backbone interact. energy: 2.058 local terms energy: -251.908120 where: bonds (distance) C4'-P energy: -86.491 bonds (distance) P-C4' energy: -91.795 flat angles C4'-P-C4' energy: -72.949 flat angles P-C4'-P energy: -42.574 tors. eta vs tors. theta energy: 41.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1929.761151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.761151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.761151 (E_RNA) where: Base-Base interactions energy: -1320.336 where: short stacking energy: -566.221 Base-Backbone interact. energy: -4.000 local terms energy: -605.424791 where: bonds (distance) C4'-P energy: -115.843 bonds (distance) P-C4' energy: -103.080 flat angles C4'-P-C4' energy: -123.825 flat angles P-C4'-P energy: -93.348 tors. eta vs tors. theta energy: -169.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1860.938508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.938508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.938508 (E_RNA) where: Base-Base interactions energy: -1257.104 where: short stacking energy: -554.983 Base-Backbone interact. energy: -0.803 local terms energy: -603.032429 where: bonds (distance) C4'-P energy: -117.011 bonds (distance) P-C4' energy: -114.257 flat angles C4'-P-C4' energy: -120.182 flat angles P-C4'-P energy: -82.132 tors. eta vs tors. theta energy: -169.450 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: 4 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1732.009200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.009200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.009200 (E_RNA) where: Base-Base interactions energy: -1176.875 where: short stacking energy: -518.128 Base-Backbone interact. energy: 1.513 local terms energy: -556.647103 where: bonds (distance) C4'-P energy: -108.938 bonds (distance) P-C4' energy: -99.138 flat angles C4'-P-C4' energy: -114.952 flat angles P-C4'-P energy: -89.941 tors. eta vs tors. theta energy: -143.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1710.460342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.460342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.460342 (E_RNA) where: Base-Base interactions energy: -1172.281 where: short stacking energy: -509.028 Base-Backbone interact. energy: 8.492 local terms energy: -546.670930 where: bonds (distance) C4'-P energy: -103.276 bonds (distance) P-C4' energy: -106.245 flat angles C4'-P-C4' energy: -120.319 flat angles P-C4'-P energy: -67.678 tors. eta vs tors. theta energy: -149.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1589.987999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.987999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.987999 (E_RNA) where: Base-Base interactions energy: -1096.469 where: short stacking energy: -445.244 Base-Backbone interact. energy: 2.484 local terms energy: -496.002722 where: bonds (distance) C4'-P energy: -93.616 bonds (distance) P-C4' energy: -93.432 flat angles C4'-P-C4' energy: -114.552 flat angles P-C4'-P energy: -64.089 tors. eta vs tors. theta energy: -130.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1567.359806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.359806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.359806 (E_RNA) where: Base-Base interactions energy: -1072.950 where: short stacking energy: -454.924 Base-Backbone interact. energy: -0.985 local terms energy: -493.425173 where: bonds (distance) C4'-P energy: -96.131 bonds (distance) P-C4' energy: -97.664 flat angles C4'-P-C4' energy: -117.375 flat angles P-C4'-P energy: -63.344 tors. eta vs tors. theta energy: -118.912 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: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1461.000358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.000358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.000358 (E_RNA) where: Base-Base interactions energy: -1003.577 where: short stacking energy: -403.350 Base-Backbone interact. energy: -1.400 local terms energy: -456.023282 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -89.829 flat angles C4'-P-C4' energy: -116.072 flat angles P-C4'-P energy: -51.951 tors. eta vs tors. theta energy: -103.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1212.659558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.659558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.659558 (E_RNA) where: Base-Base interactions energy: -788.221 where: short stacking energy: -339.788 Base-Backbone interact. energy: 1.718 local terms energy: -426.156321 where: bonds (distance) C4'-P energy: -100.166 bonds (distance) P-C4' energy: -101.302 flat angles C4'-P-C4' energy: -94.528 flat angles P-C4'-P energy: -62.044 tors. eta vs tors. theta energy: -68.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -812.863846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.863846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.863846 (E_RNA) where: Base-Base interactions energy: -438.560 where: short stacking energy: -221.012 Base-Backbone interact. energy: -0.887 local terms energy: -373.417482 where: bonds (distance) C4'-P energy: -91.870 bonds (distance) P-C4' energy: -105.595 flat angles C4'-P-C4' energy: -97.621 flat angles P-C4'-P energy: -56.785 tors. eta vs tors. theta energy: -21.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -425.454394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.454394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.454394 (E_RNA) where: Base-Base interactions energy: -156.996 where: short stacking energy: -123.154 Base-Backbone interact. energy: 3.559 local terms energy: -272.018216 where: bonds (distance) C4'-P energy: -89.253 bonds (distance) P-C4' energy: -94.068 flat angles C4'-P-C4' energy: -65.653 flat angles P-C4'-P energy: -47.469 tors. eta vs tors. theta energy: 24.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1944.086149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.086149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.086149 (E_RNA) where: Base-Base interactions energy: -1341.124 where: short stacking energy: -569.567 Base-Backbone interact. energy: -0.294 local terms energy: -602.668444 where: bonds (distance) C4'-P energy: -101.633 bonds (distance) P-C4' energy: -106.172 flat angles C4'-P-C4' energy: -133.976 flat angles P-C4'-P energy: -80.079 tors. eta vs tors. theta energy: -180.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1896.130558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.130558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.130558 (E_RNA) where: Base-Base interactions energy: -1305.531 where: short stacking energy: -601.920 Base-Backbone interact. energy: -1.003 local terms energy: -589.596292 where: bonds (distance) C4'-P energy: -101.299 bonds (distance) P-C4' energy: -106.884 flat angles C4'-P-C4' energy: -127.457 flat angles P-C4'-P energy: -82.668 tors. eta vs tors. theta energy: -171.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1768.957861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.957861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.957861 (E_RNA) where: Base-Base interactions energy: -1195.576 where: short stacking energy: -524.070 Base-Backbone interact. energy: 3.010 local terms energy: -576.392628 where: bonds (distance) C4'-P energy: -113.635 bonds (distance) P-C4' energy: -104.466 flat angles C4'-P-C4' energy: -121.459 flat angles P-C4'-P energy: -84.535 tors. eta vs tors. theta energy: -152.297 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: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1719.907670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.907670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.907670 (E_RNA) where: Base-Base interactions energy: -1178.572 where: short stacking energy: -504.632 Base-Backbone interact. energy: -4.051 local terms energy: -537.285214 where: bonds (distance) C4'-P energy: -102.899 bonds (distance) P-C4' energy: -90.125 flat angles C4'-P-C4' energy: -125.736 flat angles P-C4'-P energy: -76.088 tors. eta vs tors. theta energy: -142.438 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: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1579.207095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.207095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.207095 (E_RNA) where: Base-Base interactions energy: -1079.807 where: short stacking energy: -468.571 Base-Backbone interact. energy: -3.596 local terms energy: -495.804769 where: bonds (distance) C4'-P energy: -72.268 bonds (distance) P-C4' energy: -109.297 flat angles C4'-P-C4' energy: -108.673 flat angles P-C4'-P energy: -68.572 tors. eta vs tors. theta energy: -136.995 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: 6, replica: 2 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1575.636237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.636237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.636237 (E_RNA) where: Base-Base interactions energy: -1072.188 where: short stacking energy: -458.789 Base-Backbone interact. energy: 0.096 local terms energy: -503.544254 where: bonds (distance) C4'-P energy: -100.521 bonds (distance) P-C4' energy: -98.910 flat angles C4'-P-C4' energy: -108.712 flat angles P-C4'-P energy: -64.841 tors. eta vs tors. theta energy: -130.560 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: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1432.786441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.786441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.786441 (E_RNA) where: Base-Base interactions energy: -994.279 where: short stacking energy: -409.473 Base-Backbone interact. energy: -2.017 local terms energy: -436.490034 where: bonds (distance) C4'-P energy: -85.091 bonds (distance) P-C4' energy: -90.018 flat angles C4'-P-C4' energy: -101.165 flat angles P-C4'-P energy: -57.007 tors. eta vs tors. theta energy: -103.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1231.176426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.176426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.176426 (E_RNA) where: Base-Base interactions energy: -806.816 where: short stacking energy: -333.607 Base-Backbone interact. energy: 2.275 local terms energy: -426.636181 where: bonds (distance) C4'-P energy: -94.536 bonds (distance) P-C4' energy: -97.578 flat angles C4'-P-C4' energy: -104.102 flat angles P-C4'-P energy: -62.365 tors. eta vs tors. theta energy: -68.055 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: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -843.932427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.932427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.932427 (E_RNA) where: Base-Base interactions energy: -490.990 where: short stacking energy: -229.748 Base-Backbone interact. energy: -1.392 local terms energy: -351.550618 where: bonds (distance) C4'-P energy: -79.380 bonds (distance) P-C4' energy: -86.145 flat angles C4'-P-C4' energy: -91.790 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -47.113 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: 8 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -407.019408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.019408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.019408 (E_RNA) where: Base-Base interactions energy: -141.708 where: short stacking energy: -98.310 Base-Backbone interact. energy: 5.712 local terms energy: -271.024038 where: bonds (distance) C4'-P energy: -82.876 bonds (distance) P-C4' energy: -73.162 flat angles C4'-P-C4' energy: -87.108 flat angles P-C4'-P energy: -64.819 tors. eta vs tors. theta energy: 36.940 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: 5 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1919.511267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.511267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.511267 (E_RNA) where: Base-Base interactions energy: -1296.217 where: short stacking energy: -573.821 Base-Backbone interact. energy: -3.788 local terms energy: -619.506670 where: bonds (distance) C4'-P energy: -114.438 bonds (distance) P-C4' energy: -115.650 flat angles C4'-P-C4' energy: -133.359 flat angles P-C4'-P energy: -83.290 tors. eta vs tors. theta energy: -172.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1883.689531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.689531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.689531 (E_RNA) where: Base-Base interactions energy: -1289.578 where: short stacking energy: -564.517 Base-Backbone interact. energy: -2.400 local terms energy: -591.711562 where: bonds (distance) C4'-P energy: -103.919 bonds (distance) P-C4' energy: -108.200 flat angles C4'-P-C4' energy: -126.108 flat angles P-C4'-P energy: -76.733 tors. eta vs tors. theta energy: -176.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1784.829860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.829860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.829860 (E_RNA) where: Base-Base interactions energy: -1227.244 where: short stacking energy: -512.976 Base-Backbone interact. energy: -0.371 local terms energy: -557.214004 where: bonds (distance) C4'-P energy: -106.955 bonds (distance) P-C4' energy: -110.402 flat angles C4'-P-C4' energy: -114.378 flat angles P-C4'-P energy: -69.597 tors. eta vs tors. theta energy: -155.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1694.194452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.194452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.194452 (E_RNA) where: Base-Base interactions energy: -1141.867 where: short stacking energy: -491.273 Base-Backbone interact. energy: -3.643 local terms energy: -548.684981 where: bonds (distance) C4'-P energy: -101.426 bonds (distance) P-C4' energy: -108.181 flat angles C4'-P-C4' energy: -110.026 flat angles P-C4'-P energy: -70.854 tors. eta vs tors. theta energy: -158.198 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: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1595.702394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.702394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.702394 (E_RNA) where: Base-Base interactions energy: -1108.967 where: short stacking energy: -463.383 Base-Backbone interact. energy: 1.541 local terms energy: -488.276511 where: bonds (distance) C4'-P energy: -96.124 bonds (distance) P-C4' energy: -104.182 flat angles C4'-P-C4' energy: -111.371 flat angles P-C4'-P energy: -65.014 tors. eta vs tors. theta energy: -111.586 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: 425 Temperature: 1.150000 Total energy: -1546.511724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.511724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.511724 (E_RNA) where: Base-Base interactions energy: -1067.855 where: short stacking energy: -452.529 Base-Backbone interact. energy: -1.716 local terms energy: -476.941604 where: bonds (distance) C4'-P energy: -99.498 bonds (distance) P-C4' energy: -87.507 flat angles C4'-P-C4' energy: -115.751 flat angles P-C4'-P energy: -65.806 tors. eta vs tors. theta energy: -108.379 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: 7, replica: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1414.890998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.890998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.890998 (E_RNA) where: Base-Base interactions energy: -965.374 where: short stacking energy: -413.494 Base-Backbone interact. energy: -0.285 local terms energy: -449.232053 where: bonds (distance) C4'-P energy: -74.010 bonds (distance) P-C4' energy: -94.974 flat angles C4'-P-C4' energy: -102.285 flat angles P-C4'-P energy: -71.019 tors. eta vs tors. theta energy: -106.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1318.665450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.665450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.665450 (E_RNA) where: Base-Base interactions energy: -899.386 where: short stacking energy: -398.485 Base-Backbone interact. energy: -1.469 local terms energy: -417.810521 where: bonds (distance) C4'-P energy: -85.430 bonds (distance) P-C4' energy: -78.735 flat angles C4'-P-C4' energy: -99.486 flat angles P-C4'-P energy: -54.946 tors. eta vs tors. theta energy: -99.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -803.797357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.797357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.797357 (E_RNA) where: Base-Base interactions energy: -466.785 where: short stacking energy: -205.231 Base-Backbone interact. energy: -2.760 local terms energy: -334.252603 where: bonds (distance) C4'-P energy: -87.738 bonds (distance) P-C4' energy: -92.323 flat angles C4'-P-C4' energy: -83.964 flat angles P-C4'-P energy: -54.201 tors. eta vs tors. theta energy: -16.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -438.133674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.133674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.133674 (E_RNA) where: Base-Base interactions energy: -172.414 where: short stacking energy: -101.620 Base-Backbone interact. energy: -1.807 local terms energy: -263.912514 where: bonds (distance) C4'-P energy: -84.022 bonds (distance) P-C4' energy: -85.443 flat angles C4'-P-C4' energy: -78.680 flat angles P-C4'-P energy: -36.295 tors. eta vs tors. theta energy: 20.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1914.676152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.676152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.676152 (E_RNA) where: Base-Base interactions energy: -1320.979 where: short stacking energy: -572.519 Base-Backbone interact. energy: -3.120 local terms energy: -590.577209 where: bonds (distance) C4'-P energy: -101.241 bonds (distance) P-C4' energy: -114.178 flat angles C4'-P-C4' energy: -123.896 flat angles P-C4'-P energy: -86.564 tors. eta vs tors. theta energy: -164.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1880.848093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.848093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.848093 (E_RNA) where: Base-Base interactions energy: -1299.077 where: short stacking energy: -560.767 Base-Backbone interact. energy: -1.145 local terms energy: -580.626459 where: bonds (distance) C4'-P energy: -95.134 bonds (distance) P-C4' energy: -111.338 flat angles C4'-P-C4' energy: -118.885 flat angles P-C4'-P energy: -83.692 tors. eta vs tors. theta energy: -171.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1760.101971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.101971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.101971 (E_RNA) where: Base-Base interactions energy: -1199.918 where: short stacking energy: -517.557 Base-Backbone interact. energy: 0.502 local terms energy: -560.685679 where: bonds (distance) C4'-P energy: -107.609 bonds (distance) P-C4' energy: -98.234 flat angles C4'-P-C4' energy: -125.030 flat angles P-C4'-P energy: -83.653 tors. eta vs tors. theta energy: -146.160 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: 3 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1742.628371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.628371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.628371 (E_RNA) where: Base-Base interactions energy: -1203.599 where: short stacking energy: -519.855 Base-Backbone interact. energy: -0.240 local terms energy: -538.789441 where: bonds (distance) C4'-P energy: -100.609 bonds (distance) P-C4' energy: -99.092 flat angles C4'-P-C4' energy: -109.780 flat angles P-C4'-P energy: -80.667 tors. eta vs tors. theta energy: -148.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1598.652901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.652901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.652901 (E_RNA) where: Base-Base interactions energy: -1069.486 where: short stacking energy: -473.788 Base-Backbone interact. energy: -1.831 local terms energy: -527.336098 where: bonds (distance) C4'-P energy: -88.543 bonds (distance) P-C4' energy: -107.860 flat angles C4'-P-C4' energy: -115.475 flat angles P-C4'-P energy: -84.225 tors. eta vs tors. theta energy: -131.234 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: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1551.473177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.473177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.473177 (E_RNA) where: Base-Base interactions energy: -1076.182 where: short stacking energy: -471.572 Base-Backbone interact. energy: -3.017 local terms energy: -472.273793 where: bonds (distance) C4'-P energy: -97.508 bonds (distance) P-C4' energy: -91.680 flat angles C4'-P-C4' energy: -96.048 flat angles P-C4'-P energy: -62.139 tors. eta vs tors. theta energy: -124.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1495.916734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.916734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.916734 (E_RNA) where: Base-Base interactions energy: -1012.545 where: short stacking energy: -418.245 Base-Backbone interact. energy: 7.078 local terms energy: -490.449663 where: bonds (distance) C4'-P energy: -106.952 bonds (distance) P-C4' energy: -86.002 flat angles C4'-P-C4' energy: -119.881 flat angles P-C4'-P energy: -56.044 tors. eta vs tors. theta energy: -121.571 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: 426 Temperature: 1.250000 Total energy: -1325.711797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.711797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.711797 (E_RNA) where: Base-Base interactions energy: -885.295 where: short stacking energy: -378.429 Base-Backbone interact. energy: -0.396 local terms energy: -440.020696 where: bonds (distance) C4'-P energy: -82.929 bonds (distance) P-C4' energy: -97.192 flat angles C4'-P-C4' energy: -114.694 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: -78.507 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: 426 Temperature: 1.300000 Total energy: -806.507939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.507939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.507939 (E_RNA) where: Base-Base interactions energy: -486.318 where: short stacking energy: -230.474 Base-Backbone interact. energy: -0.495 local terms energy: -319.695093 where: bonds (distance) C4'-P energy: -87.341 bonds (distance) P-C4' energy: -84.794 flat angles C4'-P-C4' energy: -81.837 flat angles P-C4'-P energy: -34.955 tors. eta vs tors. theta energy: -30.767 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: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -430.212116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.212116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.212116 (E_RNA) where: Base-Base interactions energy: -129.846 where: short stacking energy: -110.533 Base-Backbone interact. energy: 0.825 local terms energy: -301.190221 where: bonds (distance) C4'-P energy: -104.024 bonds (distance) P-C4' energy: -96.482 flat angles C4'-P-C4' energy: -83.056 flat angles P-C4'-P energy: -28.350 tors. eta vs tors. theta energy: 10.722 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: 7 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1921.940817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.940817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.940817 (E_RNA) where: Base-Base interactions energy: -1323.870 where: short stacking energy: -566.368 Base-Backbone interact. energy: 1.541 local terms energy: -599.611371 where: bonds (distance) C4'-P energy: -114.045 bonds (distance) P-C4' energy: -105.144 flat angles C4'-P-C4' energy: -121.021 flat angles P-C4'-P energy: -86.424 tors. eta vs tors. theta energy: -172.976 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: 427 Temperature: 0.950000 Total energy: -1880.381579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.381579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.381579 (E_RNA) where: Base-Base interactions energy: -1298.150 where: short stacking energy: -556.408 Base-Backbone interact. energy: -1.912 local terms energy: -580.318788 where: bonds (distance) C4'-P energy: -98.890 bonds (distance) P-C4' energy: -113.068 flat angles C4'-P-C4' energy: -118.620 flat angles P-C4'-P energy: -75.040 tors. eta vs tors. theta energy: -174.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1750.089630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.089630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.089630 (E_RNA) where: Base-Base interactions energy: -1201.871 where: short stacking energy: -515.566 Base-Backbone interact. energy: -2.844 local terms energy: -545.374818 where: bonds (distance) C4'-P energy: -104.165 bonds (distance) P-C4' energy: -95.368 flat angles C4'-P-C4' energy: -122.136 flat angles P-C4'-P energy: -77.491 tors. eta vs tors. theta energy: -146.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1759.394171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.394171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.394171 (E_RNA) where: Base-Base interactions energy: -1194.384 where: short stacking energy: -504.429 Base-Backbone interact. energy: -2.168 local terms energy: -562.841751 where: bonds (distance) C4'-P energy: -99.683 bonds (distance) P-C4' energy: -102.283 flat angles C4'-P-C4' energy: -113.685 flat angles P-C4'-P energy: -93.629 tors. eta vs tors. theta energy: -153.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1585.117893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.117893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.117893 (E_RNA) where: Base-Base interactions energy: -1078.445 where: short stacking energy: -455.789 Base-Backbone interact. energy: -3.178 local terms energy: -503.494327 where: bonds (distance) C4'-P energy: -106.100 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -116.975 flat angles P-C4'-P energy: -62.766 tors. eta vs tors. theta energy: -123.439 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: 6, replica: 6 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1472.120089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.120089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.120089 (E_RNA) where: Base-Base interactions energy: -1028.832 where: short stacking energy: -421.677 Base-Backbone interact. energy: 5.787 local terms energy: -449.075523 where: bonds (distance) C4'-P energy: -87.440 bonds (distance) P-C4' energy: -94.032 flat angles C4'-P-C4' energy: -95.145 flat angles P-C4'-P energy: -64.339 tors. eta vs tors. theta energy: -108.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1519.573108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.573108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.573108 (E_RNA) where: Base-Base interactions energy: -1030.497 where: short stacking energy: -441.703 Base-Backbone interact. energy: -2.301 local terms energy: -486.775192 where: bonds (distance) C4'-P energy: -92.720 bonds (distance) P-C4' energy: -101.772 flat angles C4'-P-C4' energy: -97.652 flat angles P-C4'-P energy: -64.054 tors. eta vs tors. theta energy: -130.577 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: 427 Temperature: 1.250000 Total energy: -1251.173913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.173913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.173913 (E_RNA) where: Base-Base interactions energy: -818.685 where: short stacking energy: -356.832 Base-Backbone interact. energy: -1.441 local terms energy: -431.047862 where: bonds (distance) C4'-P energy: -82.085 bonds (distance) P-C4' energy: -94.245 flat angles C4'-P-C4' energy: -99.302 flat angles P-C4'-P energy: -77.239 tors. eta vs tors. theta energy: -78.177 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: 427 Temperature: 1.300000 Total energy: -812.661950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.661950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.661950 (E_RNA) where: Base-Base interactions energy: -472.787 where: short stacking energy: -246.962 Base-Backbone interact. energy: 4.562 local terms energy: -344.436224 where: bonds (distance) C4'-P energy: -91.085 bonds (distance) P-C4' energy: -90.330 flat angles C4'-P-C4' energy: -93.933 flat angles P-C4'-P energy: -43.515 tors. eta vs tors. theta energy: -25.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -414.293861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.293861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.293861 (E_RNA) where: Base-Base interactions energy: -156.692 where: short stacking energy: -122.713 Base-Backbone interact. energy: -1.341 local terms energy: -256.261096 where: bonds (distance) C4'-P energy: -71.169 bonds (distance) P-C4' energy: -94.427 flat angles C4'-P-C4' energy: -75.958 flat angles P-C4'-P energy: -31.238 tors. eta vs tors. theta energy: 16.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1912.117038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.117038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.117038 (E_RNA) where: Base-Base interactions energy: -1333.863 where: short stacking energy: -576.901 Base-Backbone interact. energy: 2.959 local terms energy: -581.213298 where: bonds (distance) C4'-P energy: -103.250 bonds (distance) P-C4' energy: -103.850 flat angles C4'-P-C4' energy: -118.975 flat angles P-C4'-P energy: -87.968 tors. eta vs tors. theta energy: -167.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1858.445317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.445317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.445317 (E_RNA) where: Base-Base interactions energy: -1303.689 where: short stacking energy: -561.318 Base-Backbone interact. energy: -1.447 local terms energy: -553.309581 where: bonds (distance) C4'-P energy: -104.735 bonds (distance) P-C4' energy: -93.317 flat angles C4'-P-C4' energy: -115.968 flat angles P-C4'-P energy: -76.220 tors. eta vs tors. theta energy: -163.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1752.889492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.889492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.889492 (E_RNA) where: Base-Base interactions energy: -1201.867 where: short stacking energy: -512.151 Base-Backbone interact. energy: -2.173 local terms energy: -548.848780 where: bonds (distance) C4'-P energy: -109.035 bonds (distance) P-C4' energy: -100.310 flat angles C4'-P-C4' energy: -111.914 flat angles P-C4'-P energy: -75.265 tors. eta vs tors. theta energy: -152.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1723.870880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.870880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.870880 (E_RNA) where: Base-Base interactions energy: -1180.443 where: short stacking energy: -494.016 Base-Backbone interact. energy: 1.012 local terms energy: -544.439726 where: bonds (distance) C4'-P energy: -90.145 bonds (distance) P-C4' energy: -104.360 flat angles C4'-P-C4' energy: -115.701 flat angles P-C4'-P energy: -78.558 tors. eta vs tors. theta energy: -155.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1588.558951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.558951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.558951 (E_RNA) where: Base-Base interactions energy: -1106.122 where: short stacking energy: -490.827 Base-Backbone interact. energy: -1.821 local terms energy: -480.615799 where: bonds (distance) C4'-P energy: -70.111 bonds (distance) P-C4' energy: -96.003 flat angles C4'-P-C4' energy: -109.926 flat angles P-C4'-P energy: -75.920 tors. eta vs tors. theta energy: -128.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1476.427930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.427930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.427930 (E_RNA) where: Base-Base interactions energy: -1005.042 where: short stacking energy: -452.207 Base-Backbone interact. energy: 3.306 local terms energy: -474.691329 where: bonds (distance) C4'-P energy: -95.223 bonds (distance) P-C4' energy: -88.811 flat angles C4'-P-C4' energy: -113.082 flat angles P-C4'-P energy: -59.959 tors. eta vs tors. theta energy: -117.617 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: 10 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1515.439234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.439234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.439234 (E_RNA) where: Base-Base interactions energy: -1043.984 where: short stacking energy: -430.319 Base-Backbone interact. energy: -3.180 local terms energy: -468.274476 where: bonds (distance) C4'-P energy: -82.849 bonds (distance) P-C4' energy: -92.183 flat angles C4'-P-C4' energy: -108.639 flat angles P-C4'-P energy: -59.066 tors. eta vs tors. theta energy: -125.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -1289.562456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.562456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.562456 (E_RNA) where: Base-Base interactions energy: -875.052 where: short stacking energy: -374.740 Base-Backbone interact. energy: -2.037 local terms energy: -412.472986 where: bonds (distance) C4'-P energy: -77.809 bonds (distance) P-C4' energy: -77.480 flat angles C4'-P-C4' energy: -105.972 flat angles P-C4'-P energy: -60.747 tors. eta vs tors. theta energy: -90.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -791.204016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.204016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.204016 (E_RNA) where: Base-Base interactions energy: -456.283 where: short stacking energy: -214.692 Base-Backbone interact. energy: -2.306 local terms energy: -332.614104 where: bonds (distance) C4'-P energy: -80.918 bonds (distance) P-C4' energy: -88.062 flat angles C4'-P-C4' energy: -80.302 flat angles P-C4'-P energy: -63.514 tors. eta vs tors. theta energy: -19.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -421.635495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.635495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.635495 (E_RNA) where: Base-Base interactions energy: -138.926 where: short stacking energy: -121.861 Base-Backbone interact. energy: 1.430 local terms energy: -284.140050 where: bonds (distance) C4'-P energy: -83.864 bonds (distance) P-C4' energy: -99.934 flat angles C4'-P-C4' energy: -66.435 flat angles P-C4'-P energy: -48.457 tors. eta vs tors. theta energy: 14.551 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: 1, replica: 7 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1930.156325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.156325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.156325 (E_RNA) where: Base-Base interactions energy: -1342.890 where: short stacking energy: -589.870 Base-Backbone interact. energy: -1.514 local terms energy: -585.752688 where: bonds (distance) C4'-P energy: -103.914 bonds (distance) P-C4' energy: -114.619 flat angles C4'-P-C4' energy: -116.250 flat angles P-C4'-P energy: -84.045 tors. eta vs tors. theta energy: -166.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1901.981672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.981672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.981672 (E_RNA) where: Base-Base interactions energy: -1286.218 where: short stacking energy: -553.791 Base-Backbone interact. energy: -2.310 local terms energy: -613.453527 where: bonds (distance) C4'-P energy: -117.114 bonds (distance) P-C4' energy: -112.732 flat angles C4'-P-C4' energy: -131.915 flat angles P-C4'-P energy: -82.478 tors. eta vs tors. theta energy: -169.215 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: 429 Temperature: 1.000000 Total energy: -1756.922270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.922270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.922270 (E_RNA) where: Base-Base interactions energy: -1201.427 where: short stacking energy: -521.665 Base-Backbone interact. energy: 1.994 local terms energy: -557.489554 where: bonds (distance) C4'-P energy: -109.549 bonds (distance) P-C4' energy: -98.902 flat angles C4'-P-C4' energy: -109.587 flat angles P-C4'-P energy: -83.248 tors. eta vs tors. theta energy: -156.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1671.700613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.700613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.700613 (E_RNA) where: Base-Base interactions energy: -1143.887 where: short stacking energy: -488.779 Base-Backbone interact. energy: -1.194 local terms energy: -526.619982 where: bonds (distance) C4'-P energy: -111.610 bonds (distance) P-C4' energy: -86.841 flat angles C4'-P-C4' energy: -111.159 flat angles P-C4'-P energy: -67.010 tors. eta vs tors. theta energy: -150.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1602.167470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.167470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.167470 (E_RNA) where: Base-Base interactions energy: -1068.097 where: short stacking energy: -473.278 Base-Backbone interact. energy: 1.479 local terms energy: -535.549469 where: bonds (distance) C4'-P energy: -106.319 bonds (distance) P-C4' energy: -105.429 flat angles C4'-P-C4' energy: -115.439 flat angles P-C4'-P energy: -80.903 tors. eta vs tors. theta energy: -127.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1516.810190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.810190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.810190 (E_RNA) where: Base-Base interactions energy: -1031.540 where: short stacking energy: -434.164 Base-Backbone interact. energy: -2.325 local terms energy: -482.945806 where: bonds (distance) C4'-P energy: -90.508 bonds (distance) P-C4' energy: -86.084 flat angles C4'-P-C4' energy: -111.687 flat angles P-C4'-P energy: -78.547 tors. eta vs tors. theta energy: -116.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1469.130667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.130667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.130667 (E_RNA) where: Base-Base interactions energy: -1000.144 where: short stacking energy: -408.893 Base-Backbone interact. energy: -3.207 local terms energy: -465.779638 where: bonds (distance) C4'-P energy: -100.863 bonds (distance) P-C4' energy: -95.996 flat angles C4'-P-C4' energy: -113.249 flat angles P-C4'-P energy: -57.401 tors. eta vs tors. theta energy: -98.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1267.568986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.568986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.568986 (E_RNA) where: Base-Base interactions energy: -857.341 where: short stacking energy: -362.514 Base-Backbone interact. energy: -2.001 local terms energy: -408.226322 where: bonds (distance) C4'-P energy: -73.417 bonds (distance) P-C4' energy: -91.752 flat angles C4'-P-C4' energy: -100.601 flat angles P-C4'-P energy: -57.619 tors. eta vs tors. theta energy: -84.838 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: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -847.821969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.821969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.821969 (E_RNA) where: Base-Base interactions energy: -523.783 where: short stacking energy: -238.812 Base-Backbone interact. energy: 3.098 local terms energy: -327.136988 where: bonds (distance) C4'-P energy: -82.012 bonds (distance) P-C4' energy: -84.270 flat angles C4'-P-C4' energy: -83.197 flat angles P-C4'-P energy: -43.881 tors. eta vs tors. theta energy: -33.777 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: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -408.282701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.282701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.282701 (E_RNA) where: Base-Base interactions energy: -121.160 where: short stacking energy: -112.230 Base-Backbone interact. energy: 4.658 local terms energy: -291.780429 where: bonds (distance) C4'-P energy: -87.590 bonds (distance) P-C4' energy: -101.312 flat angles C4'-P-C4' energy: -81.812 flat angles P-C4'-P energy: -46.021 tors. eta vs tors. theta energy: 24.953 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: 1, replica: 7 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1919.475837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.475837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.475837 (E_RNA) where: Base-Base interactions energy: -1316.642 where: short stacking energy: -585.423 Base-Backbone interact. energy: -3.009 local terms energy: -599.824959 where: bonds (distance) C4'-P energy: -105.929 bonds (distance) P-C4' energy: -108.452 flat angles C4'-P-C4' energy: -133.965 flat angles P-C4'-P energy: -78.841 tors. eta vs tors. theta energy: -172.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1879.069243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.069243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.069243 (E_RNA) where: Base-Base interactions energy: -1302.023 where: short stacking energy: -544.986 Base-Backbone interact. energy: -2.244 local terms energy: -574.802326 where: bonds (distance) C4'-P energy: -100.182 bonds (distance) P-C4' energy: -108.748 flat angles C4'-P-C4' energy: -119.094 flat angles P-C4'-P energy: -84.100 tors. eta vs tors. theta energy: -162.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1733.249494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.249494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.249494 (E_RNA) where: Base-Base interactions energy: -1168.026 where: short stacking energy: -515.867 Base-Backbone interact. energy: -2.759 local terms energy: -562.464468 where: bonds (distance) C4'-P energy: -101.957 bonds (distance) P-C4' energy: -117.118 flat angles C4'-P-C4' energy: -119.854 flat angles P-C4'-P energy: -74.089 tors. eta vs tors. theta energy: -149.446 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: 430 Temperature: 1.050000 Total energy: -1700.433351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.433351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.433351 (E_RNA) where: Base-Base interactions energy: -1184.623 where: short stacking energy: -504.730 Base-Backbone interact. energy: -2.620 local terms energy: -513.189811 where: bonds (distance) C4'-P energy: -94.295 bonds (distance) P-C4' energy: -97.853 flat angles C4'-P-C4' energy: -109.724 flat angles P-C4'-P energy: -73.128 tors. eta vs tors. theta energy: -138.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1590.911283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.911283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.911283 (E_RNA) where: Base-Base interactions energy: -1074.037 where: short stacking energy: -477.806 Base-Backbone interact. energy: -1.120 local terms energy: -515.755119 where: bonds (distance) C4'-P energy: -105.352 bonds (distance) P-C4' energy: -98.586 flat angles C4'-P-C4' energy: -108.335 flat angles P-C4'-P energy: -73.012 tors. eta vs tors. theta energy: -130.471 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: 6 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1476.718900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.718900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.718900 (E_RNA) where: Base-Base interactions energy: -987.733 where: short stacking energy: -431.507 Base-Backbone interact. energy: 5.944 local terms energy: -494.929999 where: bonds (distance) C4'-P energy: -102.872 bonds (distance) P-C4' energy: -103.127 flat angles C4'-P-C4' energy: -113.422 flat angles P-C4'-P energy: -58.624 tors. eta vs tors. theta energy: -116.885 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: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1485.560765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.560765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.560765 (E_RNA) where: Base-Base interactions energy: -1017.492 where: short stacking energy: -418.468 Base-Backbone interact. energy: 7.288 local terms energy: -475.356756 where: bonds (distance) C4'-P energy: -99.466 bonds (distance) P-C4' energy: -100.106 flat angles C4'-P-C4' energy: -99.453 flat angles P-C4'-P energy: -70.689 tors. eta vs tors. theta energy: -105.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1217.624373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.624373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.624373 (E_RNA) where: Base-Base interactions energy: -843.487 where: short stacking energy: -358.183 Base-Backbone interact. energy: -1.567 local terms energy: -372.570466 where: bonds (distance) C4'-P energy: -80.549 bonds (distance) P-C4' energy: -66.029 flat angles C4'-P-C4' energy: -99.895 flat angles P-C4'-P energy: -52.086 tors. eta vs tors. theta energy: -74.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -917.899357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.899357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.899357 (E_RNA) where: Base-Base interactions energy: -531.707 where: short stacking energy: -232.784 Base-Backbone interact. energy: 0.944 local terms energy: -387.136212 where: bonds (distance) C4'-P energy: -100.688 bonds (distance) P-C4' energy: -105.447 flat angles C4'-P-C4' energy: -93.774 flat angles P-C4'-P energy: -45.950 tors. eta vs tors. theta energy: -41.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -430.867916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.867916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.867916 (E_RNA) where: Base-Base interactions energy: -171.367 where: short stacking energy: -146.073 Base-Backbone interact. energy: 1.041 local terms energy: -260.541629 where: bonds (distance) C4'-P energy: -84.088 bonds (distance) P-C4' energy: -88.501 flat angles C4'-P-C4' energy: -67.730 flat angles P-C4'-P energy: -41.418 tors. eta vs tors. theta energy: 21.197 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: 7 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1972.010483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.010483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.010483 (E_RNA) where: Base-Base interactions energy: -1364.733 where: short stacking energy: -590.587 Base-Backbone interact. energy: -2.970 local terms energy: -604.307869 where: bonds (distance) C4'-P energy: -109.065 bonds (distance) P-C4' energy: -105.338 flat angles C4'-P-C4' energy: -131.093 flat angles P-C4'-P energy: -88.524 tors. eta vs tors. theta energy: -170.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1880.794435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.794435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.794435 (E_RNA) where: Base-Base interactions energy: -1286.585 where: short stacking energy: -566.746 Base-Backbone interact. energy: -0.611 local terms energy: -593.597792 where: bonds (distance) C4'-P energy: -114.231 bonds (distance) P-C4' energy: -110.940 flat angles C4'-P-C4' energy: -117.090 flat angles P-C4'-P energy: -79.261 tors. eta vs tors. theta energy: -172.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1782.092981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.092981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.092981 (E_RNA) where: Base-Base interactions energy: -1214.115 where: short stacking energy: -534.518 Base-Backbone interact. energy: -1.557 local terms energy: -566.420376 where: bonds (distance) C4'-P energy: -100.438 bonds (distance) P-C4' energy: -111.061 flat angles C4'-P-C4' energy: -118.755 flat angles P-C4'-P energy: -82.453 tors. eta vs tors. theta energy: -153.714 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: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1724.725974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.725974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.725974 (E_RNA) where: Base-Base interactions energy: -1174.191 where: short stacking energy: -518.937 Base-Backbone interact. energy: -2.595 local terms energy: -547.939876 where: bonds (distance) C4'-P energy: -94.597 bonds (distance) P-C4' energy: -101.494 flat angles C4'-P-C4' energy: -114.522 flat angles P-C4'-P energy: -81.355 tors. eta vs tors. theta energy: -155.972 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: 2 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1610.748210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.748210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.748210 (E_RNA) where: Base-Base interactions energy: -1059.907 where: short stacking energy: -452.977 Base-Backbone interact. energy: -0.234 local terms energy: -550.607599 where: bonds (distance) C4'-P energy: -101.153 bonds (distance) P-C4' energy: -115.530 flat angles C4'-P-C4' energy: -116.961 flat angles P-C4'-P energy: -80.921 tors. eta vs tors. theta energy: -136.043 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: 10 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1508.087457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.087457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.087457 (E_RNA) where: Base-Base interactions energy: -1018.673 where: short stacking energy: -442.346 Base-Backbone interact. energy: 0.326 local terms energy: -489.739886 where: bonds (distance) C4'-P energy: -87.703 bonds (distance) P-C4' energy: -107.821 flat angles C4'-P-C4' energy: -103.490 flat angles P-C4'-P energy: -70.945 tors. eta vs tors. theta energy: -119.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1444.003081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.003081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.003081 (E_RNA) where: Base-Base interactions energy: -993.070 where: short stacking energy: -438.123 Base-Backbone interact. energy: -2.036 local terms energy: -448.897016 where: bonds (distance) C4'-P energy: -85.712 bonds (distance) P-C4' energy: -92.246 flat angles C4'-P-C4' energy: -95.932 flat angles P-C4'-P energy: -57.328 tors. eta vs tors. theta energy: -117.680 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: 431 Temperature: 1.250000 Total energy: -1247.231249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.231249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.231249 (E_RNA) where: Base-Base interactions energy: -826.445 where: short stacking energy: -354.705 Base-Backbone interact. energy: 1.873 local terms energy: -422.659530 where: bonds (distance) C4'-P energy: -96.502 bonds (distance) P-C4' energy: -91.453 flat angles C4'-P-C4' energy: -103.598 flat angles P-C4'-P energy: -68.103 tors. eta vs tors. theta energy: -63.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -937.918887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.918887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.918887 (E_RNA) where: Base-Base interactions energy: -566.913 where: short stacking energy: -259.616 Base-Backbone interact. energy: -0.657 local terms energy: -370.349485 where: bonds (distance) C4'-P energy: -95.373 bonds (distance) P-C4' energy: -102.847 flat angles C4'-P-C4' energy: -80.090 flat angles P-C4'-P energy: -48.457 tors. eta vs tors. theta energy: -43.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -430.568356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.568356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.568356 (E_RNA) where: Base-Base interactions energy: -137.983 where: short stacking energy: -126.878 Base-Backbone interact. energy: 0.238 local terms energy: -292.823733 where: bonds (distance) C4'-P energy: -78.580 bonds (distance) P-C4' energy: -99.741 flat angles C4'-P-C4' energy: -80.757 flat angles P-C4'-P energy: -43.824 tors. eta vs tors. theta energy: 10.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1942.680663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.680663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.680663 (E_RNA) where: Base-Base interactions energy: -1346.106 where: short stacking energy: -562.422 Base-Backbone interact. energy: -2.959 local terms energy: -593.615603 where: bonds (distance) C4'-P energy: -93.031 bonds (distance) P-C4' energy: -111.323 flat angles C4'-P-C4' energy: -129.599 flat angles P-C4'-P energy: -91.508 tors. eta vs tors. theta energy: -168.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1862.925356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.925356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.925356 (E_RNA) where: Base-Base interactions energy: -1269.509 where: short stacking energy: -559.011 Base-Backbone interact. energy: -1.387 local terms energy: -592.028999 where: bonds (distance) C4'-P energy: -109.086 bonds (distance) P-C4' energy: -119.286 flat angles C4'-P-C4' energy: -115.356 flat angles P-C4'-P energy: -77.914 tors. eta vs tors. theta energy: -170.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1738.440072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.440072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.440072 (E_RNA) where: Base-Base interactions energy: -1193.385 where: short stacking energy: -502.823 Base-Backbone interact. energy: -5.773 local terms energy: -539.282225 where: bonds (distance) C4'-P energy: -110.366 bonds (distance) P-C4' energy: -98.869 flat angles C4'-P-C4' energy: -105.896 flat angles P-C4'-P energy: -83.215 tors. eta vs tors. theta energy: -140.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1699.941252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.941252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.941252 (E_RNA) where: Base-Base interactions energy: -1177.353 where: short stacking energy: -510.447 Base-Backbone interact. energy: -2.794 local terms energy: -519.794673 where: bonds (distance) C4'-P energy: -92.707 bonds (distance) P-C4' energy: -104.746 flat angles C4'-P-C4' energy: -104.619 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -142.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1577.664526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.664526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.664526 (E_RNA) where: Base-Base interactions energy: -1055.190 where: short stacking energy: -484.915 Base-Backbone interact. energy: 1.265 local terms energy: -523.738893 where: bonds (distance) C4'-P energy: -95.415 bonds (distance) P-C4' energy: -102.886 flat angles C4'-P-C4' energy: -111.677 flat angles P-C4'-P energy: -79.201 tors. eta vs tors. theta energy: -134.559 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: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1528.512060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.512060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.512060 (E_RNA) where: Base-Base interactions energy: -1049.581 where: short stacking energy: -447.095 Base-Backbone interact. energy: -1.962 local terms energy: -476.968569 where: bonds (distance) C4'-P energy: -89.209 bonds (distance) P-C4' energy: -84.249 flat angles C4'-P-C4' energy: -113.252 flat angles P-C4'-P energy: -61.679 tors. eta vs tors. theta energy: -128.580 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: 432 Temperature: 1.200000 Total energy: -1431.113165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.113165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.113165 (E_RNA) where: Base-Base interactions energy: -964.116 where: short stacking energy: -422.972 Base-Backbone interact. energy: 3.999 local terms energy: -470.996620 where: bonds (distance) C4'-P energy: -94.910 bonds (distance) P-C4' energy: -89.430 flat angles C4'-P-C4' energy: -108.613 flat angles P-C4'-P energy: -68.129 tors. eta vs tors. theta energy: -109.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1242.457366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.457366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.457366 (E_RNA) where: Base-Base interactions energy: -824.398 where: short stacking energy: -346.087 Base-Backbone interact. energy: -0.777 local terms energy: -417.282533 where: bonds (distance) C4'-P energy: -75.125 bonds (distance) P-C4' energy: -107.035 flat angles C4'-P-C4' energy: -96.172 flat angles P-C4'-P energy: -65.033 tors. eta vs tors. theta energy: -73.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -919.070624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.070624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.070624 (E_RNA) where: Base-Base interactions energy: -596.572 where: short stacking energy: -267.142 Base-Backbone interact. energy: 1.854 local terms energy: -324.352214 where: bonds (distance) C4'-P energy: -73.373 bonds (distance) P-C4' energy: -81.505 flat angles C4'-P-C4' energy: -79.579 flat angles P-C4'-P energy: -49.767 tors. eta vs tors. theta energy: -40.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -514.093527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.093527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.093527 (E_RNA) where: Base-Base interactions energy: -207.438 where: short stacking energy: -154.178 Base-Backbone interact. energy: 0.894 local terms energy: -307.550083 where: bonds (distance) C4'-P energy: -83.566 bonds (distance) P-C4' energy: -104.364 flat angles C4'-P-C4' energy: -76.400 flat angles P-C4'-P energy: -46.394 tors. eta vs tors. theta energy: 3.174 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: 7 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1952.871462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.871462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.871462 (E_RNA) where: Base-Base interactions energy: -1368.555 where: short stacking energy: -572.668 Base-Backbone interact. energy: 1.137 local terms energy: -585.453350 where: bonds (distance) C4'-P energy: -96.724 bonds (distance) P-C4' energy: -110.317 flat angles C4'-P-C4' energy: -121.157 flat angles P-C4'-P energy: -89.232 tors. eta vs tors. theta energy: -168.023 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: 2, replica: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1894.771842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.771842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.771842 (E_RNA) where: Base-Base interactions energy: -1274.483 where: short stacking energy: -569.503 Base-Backbone interact. energy: -4.276 local terms energy: -616.013503 where: bonds (distance) C4'-P energy: -108.893 bonds (distance) P-C4' energy: -115.245 flat angles C4'-P-C4' energy: -130.247 flat angles P-C4'-P energy: -84.611 tors. eta vs tors. theta energy: -177.018 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: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1735.203331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.203331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.203331 (E_RNA) where: Base-Base interactions energy: -1189.437 where: short stacking energy: -536.905 Base-Backbone interact. energy: -2.238 local terms energy: -543.528683 where: bonds (distance) C4'-P energy: -92.180 bonds (distance) P-C4' energy: -102.834 flat angles C4'-P-C4' energy: -114.488 flat angles P-C4'-P energy: -73.796 tors. eta vs tors. theta energy: -160.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1708.771639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.771639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.771639 (E_RNA) where: Base-Base interactions energy: -1174.380 where: short stacking energy: -524.839 Base-Backbone interact. energy: -3.844 local terms energy: -530.547864 where: bonds (distance) C4'-P energy: -96.566 bonds (distance) P-C4' energy: -101.432 flat angles C4'-P-C4' energy: -114.954 flat angles P-C4'-P energy: -71.846 tors. eta vs tors. theta energy: -145.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1619.557032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.557032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.557032 (E_RNA) where: Base-Base interactions energy: -1112.140 where: short stacking energy: -469.747 Base-Backbone interact. energy: -2.476 local terms energy: -504.941769 where: bonds (distance) C4'-P energy: -101.815 bonds (distance) P-C4' energy: -95.105 flat angles C4'-P-C4' energy: -97.775 flat angles P-C4'-P energy: -82.920 tors. eta vs tors. theta energy: -127.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1535.854274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.854274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.854274 (E_RNA) where: Base-Base interactions energy: -1053.247 where: short stacking energy: -446.785 Base-Backbone interact. energy: -0.971 local terms energy: -481.635861 where: bonds (distance) C4'-P energy: -91.161 bonds (distance) P-C4' energy: -103.895 flat angles C4'-P-C4' energy: -113.489 flat angles P-C4'-P energy: -51.842 tors. eta vs tors. theta energy: -121.249 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: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1439.987251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.987251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.987251 (E_RNA) where: Base-Base interactions energy: -1006.240 where: short stacking energy: -426.170 Base-Backbone interact. energy: -4.700 local terms energy: -429.047693 where: bonds (distance) C4'-P energy: -79.203 bonds (distance) P-C4' energy: -93.391 flat angles C4'-P-C4' energy: -111.171 flat angles P-C4'-P energy: -41.884 tors. eta vs tors. theta energy: -103.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1292.134273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.134273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.134273 (E_RNA) where: Base-Base interactions energy: -864.960 where: short stacking energy: -380.667 Base-Backbone interact. energy: -0.835 local terms energy: -426.339722 where: bonds (distance) C4'-P energy: -104.285 bonds (distance) P-C4' energy: -69.756 flat angles C4'-P-C4' energy: -96.014 flat angles P-C4'-P energy: -61.789 tors. eta vs tors. theta energy: -94.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -880.911160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.911160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.911160 (E_RNA) where: Base-Base interactions energy: -521.662 where: short stacking energy: -269.983 Base-Backbone interact. energy: 2.248 local terms energy: -361.496339 where: bonds (distance) C4'-P energy: -78.843 bonds (distance) P-C4' energy: -87.627 flat angles C4'-P-C4' energy: -94.533 flat angles P-C4'-P energy: -57.542 tors. eta vs tors. theta energy: -42.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -486.062868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.062868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.062868 (E_RNA) where: Base-Base interactions energy: -214.618 where: short stacking energy: -148.215 Base-Backbone interact. energy: 2.432 local terms energy: -273.876899 where: bonds (distance) C4'-P energy: -67.356 bonds (distance) P-C4' energy: -98.445 flat angles C4'-P-C4' energy: -81.944 flat angles P-C4'-P energy: -42.294 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: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1938.347729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.347729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.347729 (E_RNA) where: Base-Base interactions energy: -1333.132 where: short stacking energy: -587.093 Base-Backbone interact. energy: -1.843 local terms energy: -603.372345 where: bonds (distance) C4'-P energy: -102.288 bonds (distance) P-C4' energy: -107.290 flat angles C4'-P-C4' energy: -127.091 flat angles P-C4'-P energy: -92.059 tors. eta vs tors. theta energy: -174.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1877.387455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.387455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.387455 (E_RNA) where: Base-Base interactions energy: -1314.038 where: short stacking energy: -582.936 Base-Backbone interact. energy: -3.807 local terms energy: -559.543000 where: bonds (distance) C4'-P energy: -85.750 bonds (distance) P-C4' energy: -98.957 flat angles C4'-P-C4' energy: -120.950 flat angles P-C4'-P energy: -83.513 tors. eta vs tors. theta energy: -170.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1713.311038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.311038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.311038 (E_RNA) where: Base-Base interactions energy: -1173.045 where: short stacking energy: -507.820 Base-Backbone interact. energy: -2.871 local terms energy: -537.395224 where: bonds (distance) C4'-P energy: -103.973 bonds (distance) P-C4' energy: -96.473 flat angles C4'-P-C4' energy: -116.472 flat angles P-C4'-P energy: -79.150 tors. eta vs tors. theta energy: -141.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1666.914895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.914895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.914895 (E_RNA) where: Base-Base interactions energy: -1148.679 where: short stacking energy: -491.841 Base-Backbone interact. energy: -3.979 local terms energy: -514.256605 where: bonds (distance) C4'-P energy: -98.756 bonds (distance) P-C4' energy: -90.049 flat angles C4'-P-C4' energy: -105.657 flat angles P-C4'-P energy: -75.700 tors. eta vs tors. theta energy: -144.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1625.915720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.915720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.915720 (E_RNA) where: Base-Base interactions energy: -1109.173 where: short stacking energy: -467.108 Base-Backbone interact. energy: -1.911 local terms energy: -514.831883 where: bonds (distance) C4'-P energy: -99.323 bonds (distance) P-C4' energy: -96.271 flat angles C4'-P-C4' energy: -103.519 flat angles P-C4'-P energy: -71.260 tors. eta vs tors. theta energy: -144.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1521.105893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.105893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.105893 (E_RNA) where: Base-Base interactions energy: -1034.944 where: short stacking energy: -445.769 Base-Backbone interact. energy: -2.749 local terms energy: -483.412948 where: bonds (distance) C4'-P energy: -99.381 bonds (distance) P-C4' energy: -82.847 flat angles C4'-P-C4' energy: -101.478 flat angles P-C4'-P energy: -76.786 tors. eta vs tors. theta energy: -122.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1499.882076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.882076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.882076 (E_RNA) where: Base-Base interactions energy: -1010.087 where: short stacking energy: -442.359 Base-Backbone interact. energy: -2.072 local terms energy: -487.723371 where: bonds (distance) C4'-P energy: -80.768 bonds (distance) P-C4' energy: -112.337 flat angles C4'-P-C4' energy: -114.270 flat angles P-C4'-P energy: -59.747 tors. eta vs tors. theta energy: -120.602 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: 8, replica: 1 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1335.815462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.815462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.815462 (E_RNA) where: Base-Base interactions energy: -895.731 where: short stacking energy: -353.466 Base-Backbone interact. energy: -2.614 local terms energy: -437.470198 where: bonds (distance) C4'-P energy: -100.799 bonds (distance) P-C4' energy: -87.287 flat angles C4'-P-C4' energy: -102.754 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: -84.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -862.988774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.988774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.988774 (E_RNA) where: Base-Base interactions energy: -528.029 where: short stacking energy: -242.934 Base-Backbone interact. energy: 0.237 local terms energy: -335.197578 where: bonds (distance) C4'-P energy: -76.379 bonds (distance) P-C4' energy: -92.413 flat angles C4'-P-C4' energy: -77.715 flat angles P-C4'-P energy: -54.859 tors. eta vs tors. theta energy: -33.831 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: 10, replica: 8 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -462.274419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.274419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.274419 (E_RNA) where: Base-Base interactions energy: -175.830 where: short stacking energy: -117.097 Base-Backbone interact. energy: 1.675 local terms energy: -288.119182 where: bonds (distance) C4'-P energy: -90.815 bonds (distance) P-C4' energy: -90.626 flat angles C4'-P-C4' energy: -79.184 flat angles P-C4'-P energy: -48.757 tors. eta vs tors. theta energy: 21.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1948.353730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.353730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.353730 (E_RNA) where: Base-Base interactions energy: -1331.783 where: short stacking energy: -580.270 Base-Backbone interact. energy: -1.217 local terms energy: -615.353570 where: bonds (distance) C4'-P energy: -100.646 bonds (distance) P-C4' energy: -119.850 flat angles C4'-P-C4' energy: -122.759 flat angles P-C4'-P energy: -94.155 tors. eta vs tors. theta energy: -177.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1882.586908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.586908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.586908 (E_RNA) where: Base-Base interactions energy: -1285.346 where: short stacking energy: -568.308 Base-Backbone interact. energy: 0.309 local terms energy: -597.549671 where: bonds (distance) C4'-P energy: -96.140 bonds (distance) P-C4' energy: -110.976 flat angles C4'-P-C4' energy: -129.648 flat angles P-C4'-P energy: -80.687 tors. eta vs tors. theta energy: -180.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1768.471899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.471899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.471899 (E_RNA) where: Base-Base interactions energy: -1202.067 where: short stacking energy: -504.466 Base-Backbone interact. energy: 0.516 local terms energy: -566.920254 where: bonds (distance) C4'-P energy: -106.620 bonds (distance) P-C4' energy: -107.240 flat angles C4'-P-C4' energy: -128.261 flat angles P-C4'-P energy: -81.011 tors. eta vs tors. theta energy: -143.788 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: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1682.273052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.273052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.273052 (E_RNA) where: Base-Base interactions energy: -1136.264 where: short stacking energy: -483.277 Base-Backbone interact. energy: -0.829 local terms energy: -545.180406 where: bonds (distance) C4'-P energy: -99.657 bonds (distance) P-C4' energy: -96.380 flat angles C4'-P-C4' energy: -122.181 flat angles P-C4'-P energy: -85.441 tors. eta vs tors. theta energy: -141.521 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: 5, replica: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1633.641635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.641635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.641635 (E_RNA) where: Base-Base interactions energy: -1116.634 where: short stacking energy: -490.804 Base-Backbone interact. energy: -0.599 local terms energy: -516.408525 where: bonds (distance) C4'-P energy: -95.626 bonds (distance) P-C4' energy: -85.600 flat angles C4'-P-C4' energy: -115.472 flat angles P-C4'-P energy: -77.536 tors. eta vs tors. theta energy: -142.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1527.153893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.153893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.153893 (E_RNA) where: Base-Base interactions energy: -1050.787 where: short stacking energy: -442.430 Base-Backbone interact. energy: -2.079 local terms energy: -474.287272 where: bonds (distance) C4'-P energy: -95.950 bonds (distance) P-C4' energy: -91.356 flat angles C4'-P-C4' energy: -107.361 flat angles P-C4'-P energy: -63.181 tors. eta vs tors. theta energy: -116.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1465.667781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.667781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.667781 (E_RNA) where: Base-Base interactions energy: -1009.066 where: short stacking energy: -448.404 Base-Backbone interact. energy: -0.804 local terms energy: -455.797396 where: bonds (distance) C4'-P energy: -88.835 bonds (distance) P-C4' energy: -76.689 flat angles C4'-P-C4' energy: -108.261 flat angles P-C4'-P energy: -64.230 tors. eta vs tors. theta energy: -117.782 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: 1 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1320.156230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.156230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.156230 (E_RNA) where: Base-Base interactions energy: -844.847 where: short stacking energy: -356.502 Base-Backbone interact. energy: 0.176 local terms energy: -475.485278 where: bonds (distance) C4'-P energy: -88.782 bonds (distance) P-C4' energy: -101.243 flat angles C4'-P-C4' energy: -114.150 flat angles P-C4'-P energy: -69.869 tors. eta vs tors. theta energy: -101.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -801.319860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.319860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.319860 (E_RNA) where: Base-Base interactions energy: -457.201 where: short stacking energy: -228.608 Base-Backbone interact. energy: -1.840 local terms energy: -342.278198 where: bonds (distance) C4'-P energy: -84.842 bonds (distance) P-C4' energy: -67.002 flat angles C4'-P-C4' energy: -94.125 flat angles P-C4'-P energy: -52.315 tors. eta vs tors. theta energy: -43.995 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: 10, replica: 8 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -495.454092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.454092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.454092 (E_RNA) where: Base-Base interactions energy: -229.588 where: short stacking energy: -166.133 Base-Backbone interact. energy: 4.503 local terms energy: -270.368615 where: bonds (distance) C4'-P energy: -72.155 bonds (distance) P-C4' energy: -72.865 flat angles C4'-P-C4' energy: -71.536 flat angles P-C4'-P energy: -54.466 tors. eta vs tors. theta energy: 0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1913.246484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.246484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.246484 (E_RNA) where: Base-Base interactions energy: -1298.949 where: short stacking energy: -562.671 Base-Backbone interact. energy: -2.716 local terms energy: -611.581942 where: bonds (distance) C4'-P energy: -111.715 bonds (distance) P-C4' energy: -119.685 flat angles C4'-P-C4' energy: -117.007 flat angles P-C4'-P energy: -85.937 tors. eta vs tors. theta energy: -177.238 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: 436 Temperature: 0.950000 Total energy: -1864.424383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.424383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.424383 (E_RNA) where: Base-Base interactions energy: -1272.515 where: short stacking energy: -558.438 Base-Backbone interact. energy: -1.647 local terms energy: -590.262042 where: bonds (distance) C4'-P energy: -105.977 bonds (distance) P-C4' energy: -104.149 flat angles C4'-P-C4' energy: -117.349 flat angles P-C4'-P energy: -91.486 tors. eta vs tors. theta energy: -171.300 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: 436 Temperature: 1.000000 Total energy: -1738.559433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.559433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.559433 (E_RNA) where: Base-Base interactions energy: -1193.762 where: short stacking energy: -509.260 Base-Backbone interact. energy: -1.239 local terms energy: -543.557876 where: bonds (distance) C4'-P energy: -108.928 bonds (distance) P-C4' energy: -93.466 flat angles C4'-P-C4' energy: -120.099 flat angles P-C4'-P energy: -78.879 tors. eta vs tors. theta energy: -142.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1660.424966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.424966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.424966 (E_RNA) where: Base-Base interactions energy: -1145.717 where: short stacking energy: -497.539 Base-Backbone interact. energy: -0.347 local terms energy: -514.360994 where: bonds (distance) C4'-P energy: -99.684 bonds (distance) P-C4' energy: -114.077 flat angles C4'-P-C4' energy: -107.225 flat angles P-C4'-P energy: -63.074 tors. eta vs tors. theta energy: -130.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1571.745960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.745960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.745960 (E_RNA) where: Base-Base interactions energy: -1067.974 where: short stacking energy: -470.182 Base-Backbone interact. energy: -1.964 local terms energy: -501.807174 where: bonds (distance) C4'-P energy: -98.613 bonds (distance) P-C4' energy: -95.420 flat angles C4'-P-C4' energy: -114.633 flat angles P-C4'-P energy: -66.637 tors. eta vs tors. theta energy: -126.504 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: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1531.986192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.986192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.986192 (E_RNA) where: Base-Base interactions energy: -1063.488 where: short stacking energy: -449.447 Base-Backbone interact. energy: 0.351 local terms energy: -468.848832 where: bonds (distance) C4'-P energy: -86.513 bonds (distance) P-C4' energy: -98.931 flat angles C4'-P-C4' energy: -106.624 flat angles P-C4'-P energy: -56.587 tors. eta vs tors. theta energy: -120.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1476.531994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.531994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.531994 (E_RNA) where: Base-Base interactions energy: -981.860 where: short stacking energy: -432.279 Base-Backbone interact. energy: 4.071 local terms energy: -498.743501 where: bonds (distance) C4'-P energy: -96.012 bonds (distance) P-C4' energy: -103.243 flat angles C4'-P-C4' energy: -109.841 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -116.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1300.430696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.430696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.430696 (E_RNA) where: Base-Base interactions energy: -858.986 where: short stacking energy: -379.928 Base-Backbone interact. energy: 4.937 local terms energy: -446.380970 where: bonds (distance) C4'-P energy: -97.057 bonds (distance) P-C4' energy: -102.542 flat angles C4'-P-C4' energy: -96.464 flat angles P-C4'-P energy: -56.307 tors. eta vs tors. theta energy: -94.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -792.129152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.129152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.129152 (E_RNA) where: Base-Base interactions energy: -472.601 where: short stacking energy: -239.039 Base-Backbone interact. energy: -0.960 local terms energy: -318.568391 where: bonds (distance) C4'-P energy: -88.238 bonds (distance) P-C4' energy: -85.577 flat angles C4'-P-C4' energy: -74.624 flat angles P-C4'-P energy: -38.259 tors. eta vs tors. theta energy: -31.870 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: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -527.417781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.417781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.417781 (E_RNA) where: Base-Base interactions energy: -235.360 where: short stacking energy: -156.864 Base-Backbone interact. energy: -2.052 local terms energy: -290.005992 where: bonds (distance) C4'-P energy: -61.572 bonds (distance) P-C4' energy: -106.667 flat angles C4'-P-C4' energy: -78.125 flat angles P-C4'-P energy: -46.293 tors. eta vs tors. theta energy: 2.652 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: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1891.612782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.612782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.612782 (E_RNA) where: Base-Base interactions energy: -1297.335 where: short stacking energy: -545.891 Base-Backbone interact. energy: 2.128 local terms energy: -596.405819 where: bonds (distance) C4'-P energy: -110.419 bonds (distance) P-C4' energy: -111.420 flat angles C4'-P-C4' energy: -122.959 flat angles P-C4'-P energy: -85.756 tors. eta vs tors. theta energy: -165.852 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: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1898.073189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.073189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.073189 (E_RNA) where: Base-Base interactions energy: -1304.787 where: short stacking energy: -576.003 Base-Backbone interact. energy: -4.617 local terms energy: -588.668972 where: bonds (distance) C4'-P energy: -103.015 bonds (distance) P-C4' energy: -113.714 flat angles C4'-P-C4' energy: -116.545 flat angles P-C4'-P energy: -82.332 tors. eta vs tors. theta energy: -173.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1752.254932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.254932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.254932 (E_RNA) where: Base-Base interactions energy: -1191.168 where: short stacking energy: -501.216 Base-Backbone interact. energy: -0.975 local terms energy: -560.112216 where: bonds (distance) C4'-P energy: -103.287 bonds (distance) P-C4' energy: -99.314 flat angles C4'-P-C4' energy: -115.314 flat angles P-C4'-P energy: -92.106 tors. eta vs tors. theta energy: -150.091 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: 437 Temperature: 1.050000 Total energy: -1644.913049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.913049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.913049 (E_RNA) where: Base-Base interactions energy: -1120.708 where: short stacking energy: -484.854 Base-Backbone interact. energy: -2.876 local terms energy: -521.329188 where: bonds (distance) C4'-P energy: -104.346 bonds (distance) P-C4' energy: -98.066 flat angles C4'-P-C4' energy: -107.287 flat angles P-C4'-P energy: -85.984 tors. eta vs tors. theta energy: -125.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1570.887422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.887422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.887422 (E_RNA) where: Base-Base interactions energy: -1068.872 where: short stacking energy: -461.209 Base-Backbone interact. energy: 0.333 local terms energy: -502.347958 where: bonds (distance) C4'-P energy: -97.457 bonds (distance) P-C4' energy: -100.582 flat angles C4'-P-C4' energy: -107.699 flat angles P-C4'-P energy: -65.158 tors. eta vs tors. theta energy: -131.452 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: 6, replica: 10 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1533.071185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.071185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.071185 (E_RNA) where: Base-Base interactions energy: -1038.019 where: short stacking energy: -447.325 Base-Backbone interact. energy: 1.936 local terms energy: -496.988093 where: bonds (distance) C4'-P energy: -84.367 bonds (distance) P-C4' energy: -87.545 flat angles C4'-P-C4' energy: -124.222 flat angles P-C4'-P energy: -77.218 tors. eta vs tors. theta energy: -123.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -1455.535933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.535933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.535933 (E_RNA) where: Base-Base interactions energy: -988.873 where: short stacking energy: -441.627 Base-Backbone interact. energy: -2.784 local terms energy: -463.879302 where: bonds (distance) C4'-P energy: -86.460 bonds (distance) P-C4' energy: -98.266 flat angles C4'-P-C4' energy: -111.730 flat angles P-C4'-P energy: -53.322 tors. eta vs tors. theta energy: -114.102 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: 1 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1301.081702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.081702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.081702 (E_RNA) where: Base-Base interactions energy: -888.932 where: short stacking energy: -360.324 Base-Backbone interact. energy: -3.291 local terms energy: -408.858675 where: bonds (distance) C4'-P energy: -86.362 bonds (distance) P-C4' energy: -79.873 flat angles C4'-P-C4' energy: -91.927 flat angles P-C4'-P energy: -67.774 tors. eta vs tors. theta energy: -82.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -758.081098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.081098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.081098 (E_RNA) where: Base-Base interactions energy: -416.621 where: short stacking energy: -197.338 Base-Backbone interact. energy: 0.003 local terms energy: -341.462643 where: bonds (distance) C4'-P energy: -97.965 bonds (distance) P-C4' energy: -95.477 flat angles C4'-P-C4' energy: -77.490 flat angles P-C4'-P energy: -48.018 tors. eta vs tors. theta energy: -22.512 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: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -525.879225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.879225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.879225 (E_RNA) where: Base-Base interactions energy: -225.305 where: short stacking energy: -122.306 Base-Backbone interact. energy: -3.669 local terms energy: -296.905072 where: bonds (distance) C4'-P energy: -86.501 bonds (distance) P-C4' energy: -100.505 flat angles C4'-P-C4' energy: -81.758 flat angles P-C4'-P energy: -45.053 tors. eta vs tors. theta energy: 16.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1936.932155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.932155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.932155 (E_RNA) where: Base-Base interactions energy: -1318.173 where: short stacking energy: -576.159 Base-Backbone interact. energy: -2.026 local terms energy: -616.734074 where: bonds (distance) C4'-P energy: -114.148 bonds (distance) P-C4' energy: -104.781 flat angles C4'-P-C4' energy: -130.513 flat angles P-C4'-P energy: -89.632 tors. eta vs tors. theta energy: -177.661 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: 7 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1883.949188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.949188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.949188 (E_RNA) where: Base-Base interactions energy: -1296.508 where: short stacking energy: -563.137 Base-Backbone interact. energy: -3.043 local terms energy: -584.398325 where: bonds (distance) C4'-P energy: -95.876 bonds (distance) P-C4' energy: -111.832 flat angles C4'-P-C4' energy: -118.008 flat angles P-C4'-P energy: -93.842 tors. eta vs tors. theta energy: -164.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1788.598595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.598595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.598595 (E_RNA) where: Base-Base interactions energy: -1236.055 where: short stacking energy: -528.285 Base-Backbone interact. energy: -3.679 local terms energy: -548.865264 where: bonds (distance) C4'-P energy: -85.819 bonds (distance) P-C4' energy: -111.653 flat angles C4'-P-C4' energy: -115.331 flat angles P-C4'-P energy: -75.106 tors. eta vs tors. theta energy: -160.956 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: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1646.904644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.904644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.904644 (E_RNA) where: Base-Base interactions energy: -1145.043 where: short stacking energy: -503.761 Base-Backbone interact. energy: 1.623 local terms energy: -503.485326 where: bonds (distance) C4'-P energy: -100.456 bonds (distance) P-C4' energy: -90.332 flat angles C4'-P-C4' energy: -107.432 flat angles P-C4'-P energy: -73.585 tors. eta vs tors. theta energy: -131.681 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: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1568.036893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.036893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.036893 (E_RNA) where: Base-Base interactions energy: -1056.920 where: short stacking energy: -464.401 Base-Backbone interact. energy: -3.045 local terms energy: -508.071857 where: bonds (distance) C4'-P energy: -92.230 bonds (distance) P-C4' energy: -96.012 flat angles C4'-P-C4' energy: -111.438 flat angles P-C4'-P energy: -70.743 tors. eta vs tors. theta energy: -137.650 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: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1525.551879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.551879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.551879 (E_RNA) where: Base-Base interactions energy: -1007.227 where: short stacking energy: -429.680 Base-Backbone interact. energy: -2.725 local terms energy: -515.599428 where: bonds (distance) C4'-P energy: -96.496 bonds (distance) P-C4' energy: -102.439 flat angles C4'-P-C4' energy: -107.515 flat angles P-C4'-P energy: -82.851 tors. eta vs tors. theta energy: -126.298 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: 438 Temperature: 1.200000 Total energy: -1492.204763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.204763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.204763 (E_RNA) where: Base-Base interactions energy: -1013.608 where: short stacking energy: -461.101 Base-Backbone interact. energy: -1.953 local terms energy: -476.643549 where: bonds (distance) C4'-P energy: -87.229 bonds (distance) P-C4' energy: -88.664 flat angles C4'-P-C4' energy: -101.718 flat angles P-C4'-P energy: -65.084 tors. eta vs tors. theta energy: -133.950 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: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1314.021209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.021209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.021209 (E_RNA) where: Base-Base interactions energy: -912.110 where: short stacking energy: -398.607 Base-Backbone interact. energy: -1.068 local terms energy: -400.843903 where: bonds (distance) C4'-P energy: -74.713 bonds (distance) P-C4' energy: -86.816 flat angles C4'-P-C4' energy: -95.464 flat angles P-C4'-P energy: -43.545 tors. eta vs tors. theta energy: -100.306 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: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -815.324863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.324863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.324863 (E_RNA) where: Base-Base interactions energy: -465.997 where: short stacking energy: -240.184 Base-Backbone interact. energy: -0.209 local terms energy: -349.118976 where: bonds (distance) C4'-P energy: -73.939 bonds (distance) P-C4' energy: -90.486 flat angles C4'-P-C4' energy: -87.735 flat angles P-C4'-P energy: -64.097 tors. eta vs tors. theta energy: -32.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -553.145190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.145190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.145190 (E_RNA) where: Base-Base interactions energy: -266.080 where: short stacking energy: -152.027 Base-Backbone interact. energy: 6.553 local terms energy: -293.618001 where: bonds (distance) C4'-P energy: -86.221 bonds (distance) P-C4' energy: -87.774 flat angles C4'-P-C4' energy: -83.198 flat angles P-C4'-P energy: -48.851 tors. eta vs tors. theta energy: 12.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1925.085432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.085432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.085432 (E_RNA) where: Base-Base interactions energy: -1318.479 where: short stacking energy: -569.326 Base-Backbone interact. energy: -4.023 local terms energy: -602.583634 where: bonds (distance) C4'-P energy: -108.197 bonds (distance) P-C4' energy: -113.145 flat angles C4'-P-C4' energy: -123.959 flat angles P-C4'-P energy: -90.066 tors. eta vs tors. theta energy: -167.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1816.815950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.815950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.815950 (E_RNA) where: Base-Base interactions energy: -1256.631 where: short stacking energy: -548.307 Base-Backbone interact. energy: -1.530 local terms energy: -558.654805 where: bonds (distance) C4'-P energy: -107.553 bonds (distance) P-C4' energy: -94.116 flat angles C4'-P-C4' energy: -114.287 flat angles P-C4'-P energy: -85.154 tors. eta vs tors. theta energy: -157.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1761.086837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.086837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.086837 (E_RNA) where: Base-Base interactions energy: -1209.585 where: short stacking energy: -494.004 Base-Backbone interact. energy: 1.406 local terms energy: -552.908300 where: bonds (distance) C4'-P energy: -106.366 bonds (distance) P-C4' energy: -111.792 flat angles C4'-P-C4' energy: -113.566 flat angles P-C4'-P energy: -74.675 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: 4, replica: 2 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1644.413513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.413513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.413513 (E_RNA) where: Base-Base interactions energy: -1121.831 where: short stacking energy: -490.743 Base-Backbone interact. energy: -1.634 local terms energy: -520.948158 where: bonds (distance) C4'-P energy: -83.157 bonds (distance) P-C4' energy: -106.834 flat angles C4'-P-C4' energy: -112.222 flat angles P-C4'-P energy: -80.814 tors. eta vs tors. theta energy: -137.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1539.266202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.266202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.266202 (E_RNA) where: Base-Base interactions energy: -1043.524 where: short stacking energy: -461.598 Base-Backbone interact. energy: -0.040 local terms energy: -495.702766 where: bonds (distance) C4'-P energy: -92.394 bonds (distance) P-C4' energy: -101.662 flat angles C4'-P-C4' energy: -100.236 flat angles P-C4'-P energy: -70.316 tors. eta vs tors. theta energy: -131.095 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: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1528.904752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.904752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.904752 (E_RNA) where: Base-Base interactions energy: -1067.176 where: short stacking energy: -463.752 Base-Backbone interact. energy: -1.714 local terms energy: -460.014871 where: bonds (distance) C4'-P energy: -87.253 bonds (distance) P-C4' energy: -96.659 flat angles C4'-P-C4' energy: -96.219 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: -116.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1445.019077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.019077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.019077 (E_RNA) where: Base-Base interactions energy: -990.452 where: short stacking energy: -421.674 Base-Backbone interact. energy: -1.730 local terms energy: -452.837172 where: bonds (distance) C4'-P energy: -87.446 bonds (distance) P-C4' energy: -103.530 flat angles C4'-P-C4' energy: -89.713 flat angles P-C4'-P energy: -75.472 tors. eta vs tors. theta energy: -96.676 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: 439 Temperature: 1.250000 Total energy: -1288.112082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.112082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.112082 (E_RNA) where: Base-Base interactions energy: -862.563 where: short stacking energy: -377.418 Base-Backbone interact. energy: -3.341 local terms energy: -422.208652 where: bonds (distance) C4'-P energy: -98.703 bonds (distance) P-C4' energy: -89.393 flat angles C4'-P-C4' energy: -95.404 flat angles P-C4'-P energy: -59.229 tors. eta vs tors. theta energy: -79.479 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: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -865.881850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.881850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.881850 (E_RNA) where: Base-Base interactions energy: -520.068 where: short stacking energy: -254.022 Base-Backbone interact. energy: 4.484 local terms energy: -350.297144 where: bonds (distance) C4'-P energy: -102.316 bonds (distance) P-C4' energy: -89.327 flat angles C4'-P-C4' energy: -86.615 flat angles P-C4'-P energy: -42.317 tors. eta vs tors. theta energy: -29.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -553.837432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.837432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.837432 (E_RNA) where: Base-Base interactions energy: -269.542 where: short stacking energy: -148.523 Base-Backbone interact. energy: 2.517 local terms energy: -286.811861 where: bonds (distance) C4'-P energy: -88.221 bonds (distance) P-C4' energy: -99.280 flat angles C4'-P-C4' energy: -66.466 flat angles P-C4'-P energy: -48.539 tors. eta vs tors. theta energy: 15.694 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: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1923.099110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.099110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.099110 (E_RNA) where: Base-Base interactions energy: -1304.458 where: short stacking energy: -551.158 Base-Backbone interact. energy: -1.993 local terms energy: -616.648389 where: bonds (distance) C4'-P energy: -117.047 bonds (distance) P-C4' energy: -119.364 flat angles C4'-P-C4' energy: -122.709 flat angles P-C4'-P energy: -90.844 tors. eta vs tors. theta energy: -166.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1867.623010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.623010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.623010 (E_RNA) where: Base-Base interactions energy: -1293.734 where: short stacking energy: -546.864 Base-Backbone interact. energy: 6.092 local terms energy: -579.981283 where: bonds (distance) C4'-P energy: -104.038 bonds (distance) P-C4' energy: -113.633 flat angles C4'-P-C4' energy: -122.305 flat angles P-C4'-P energy: -74.456 tors. eta vs tors. theta energy: -165.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1769.965431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.965431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.965431 (E_RNA) where: Base-Base interactions energy: -1217.448 where: short stacking energy: -515.530 Base-Backbone interact. energy: -3.940 local terms energy: -548.577755 where: bonds (distance) C4'-P energy: -95.537 bonds (distance) P-C4' energy: -99.173 flat angles C4'-P-C4' energy: -121.772 flat angles P-C4'-P energy: -77.912 tors. eta vs tors. theta energy: -154.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1638.079176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.079176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.079176 (E_RNA) where: Base-Base interactions energy: -1141.782 where: short stacking energy: -488.123 Base-Backbone interact. energy: -2.973 local terms energy: -493.324218 where: bonds (distance) C4'-P energy: -81.371 bonds (distance) P-C4' energy: -100.100 flat angles C4'-P-C4' energy: -114.790 flat angles P-C4'-P energy: -73.806 tors. eta vs tors. theta energy: -123.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1586.741348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.741348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.741348 (E_RNA) where: Base-Base interactions energy: -1067.971 where: short stacking energy: -463.195 Base-Backbone interact. energy: -2.246 local terms energy: -516.524515 where: bonds (distance) C4'-P energy: -94.682 bonds (distance) P-C4' energy: -106.917 flat angles C4'-P-C4' energy: -109.164 flat angles P-C4'-P energy: -87.152 tors. eta vs tors. theta energy: -118.608 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: 10 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1461.071635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.071635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.071635 (E_RNA) where: Base-Base interactions energy: -984.651 where: short stacking energy: -433.992 Base-Backbone interact. energy: -1.018 local terms energy: -475.402489 where: bonds (distance) C4'-P energy: -93.154 bonds (distance) P-C4' energy: -89.139 flat angles C4'-P-C4' energy: -102.008 flat angles P-C4'-P energy: -80.201 tors. eta vs tors. theta energy: -110.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1476.486302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.486302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.486302 (E_RNA) where: Base-Base interactions energy: -1023.469 where: short stacking energy: -441.752 Base-Backbone interact. energy: -0.468 local terms energy: -452.548887 where: bonds (distance) C4'-P energy: -78.808 bonds (distance) P-C4' energy: -88.008 flat angles C4'-P-C4' energy: -100.773 flat angles P-C4'-P energy: -73.307 tors. eta vs tors. theta energy: -111.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1354.500509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.500509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.500509 (E_RNA) where: Base-Base interactions energy: -912.508 where: short stacking energy: -395.456 Base-Backbone interact. energy: 2.284 local terms energy: -444.276177 where: bonds (distance) C4'-P energy: -68.657 bonds (distance) P-C4' energy: -89.098 flat angles C4'-P-C4' energy: -107.775 flat angles P-C4'-P energy: -80.578 tors. eta vs tors. theta energy: -98.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -804.102571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.102571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.102571 (E_RNA) where: Base-Base interactions energy: -485.458 where: short stacking energy: -235.427 Base-Backbone interact. energy: -2.210 local terms energy: -316.434631 where: bonds (distance) C4'-P energy: -67.462 bonds (distance) P-C4' energy: -76.273 flat angles C4'-P-C4' energy: -92.487 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: -25.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -552.069071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.069071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.069071 (E_RNA) where: Base-Base interactions energy: -268.514 where: short stacking energy: -166.871 Base-Backbone interact. energy: 12.078 local terms energy: -295.633512 where: bonds (distance) C4'-P energy: -94.333 bonds (distance) P-C4' energy: -88.263 flat angles C4'-P-C4' energy: -72.693 flat angles P-C4'-P energy: -38.775 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1936.403774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.403774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.403774 (E_RNA) where: Base-Base interactions energy: -1331.259 where: short stacking energy: -556.630 Base-Backbone interact. energy: -2.881 local terms energy: -602.263985 where: bonds (distance) C4'-P energy: -105.626 bonds (distance) P-C4' energy: -110.354 flat angles C4'-P-C4' energy: -120.298 flat angles P-C4'-P energy: -93.511 tors. eta vs tors. theta energy: -172.475 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: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1888.077185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.077185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.077185 (E_RNA) where: Base-Base interactions energy: -1305.001 where: short stacking energy: -552.806 Base-Backbone interact. energy: -3.367 local terms energy: -579.708925 where: bonds (distance) C4'-P energy: -96.007 bonds (distance) P-C4' energy: -113.224 flat angles C4'-P-C4' energy: -115.812 flat angles P-C4'-P energy: -92.214 tors. eta vs tors. theta energy: -162.451 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: 3 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1776.620545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.620545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.620545 (E_RNA) where: Base-Base interactions energy: -1229.297 where: short stacking energy: -519.892 Base-Backbone interact. energy: -2.220 local terms energy: -545.103506 where: bonds (distance) C4'-P energy: -104.948 bonds (distance) P-C4' energy: -102.790 flat angles C4'-P-C4' energy: -122.153 flat angles P-C4'-P energy: -62.349 tors. eta vs tors. theta energy: -152.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1649.371586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.371586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.371586 (E_RNA) where: Base-Base interactions energy: -1116.075 where: short stacking energy: -488.885 Base-Backbone interact. energy: -1.909 local terms energy: -531.388096 where: bonds (distance) C4'-P energy: -104.480 bonds (distance) P-C4' energy: -94.064 flat angles C4'-P-C4' energy: -119.989 flat angles P-C4'-P energy: -76.315 tors. eta vs tors. theta energy: -136.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1585.396904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.396904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.396904 (E_RNA) where: Base-Base interactions energy: -1072.287 where: short stacking energy: -477.001 Base-Backbone interact. energy: 1.164 local terms energy: -514.273606 where: bonds (distance) C4'-P energy: -97.253 bonds (distance) P-C4' energy: -100.874 flat angles C4'-P-C4' energy: -113.258 flat angles P-C4'-P energy: -75.553 tors. eta vs tors. theta energy: -127.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1497.143259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.143259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.143259 (E_RNA) where: Base-Base interactions energy: -1020.155 where: short stacking energy: -426.901 Base-Backbone interact. energy: 4.144 local terms energy: -481.131765 where: bonds (distance) C4'-P energy: -85.779 bonds (distance) P-C4' energy: -98.453 flat angles C4'-P-C4' energy: -116.641 flat angles P-C4'-P energy: -71.052 tors. eta vs tors. theta energy: -109.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1398.492059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.492059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.492059 (E_RNA) where: Base-Base interactions energy: -944.137 where: short stacking energy: -420.618 Base-Backbone interact. energy: -1.187 local terms energy: -453.167509 where: bonds (distance) C4'-P energy: -102.537 bonds (distance) P-C4' energy: -96.120 flat angles C4'-P-C4' energy: -95.216 flat angles P-C4'-P energy: -54.421 tors. eta vs tors. theta energy: -104.873 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: 441 Temperature: 1.250000 Total energy: -1327.180833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.180833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.180833 (E_RNA) where: Base-Base interactions energy: -874.767 where: short stacking energy: -389.130 Base-Backbone interact. energy: -0.796 local terms energy: -451.617401 where: bonds (distance) C4'-P energy: -79.959 bonds (distance) P-C4' energy: -96.333 flat angles C4'-P-C4' energy: -107.293 flat angles P-C4'-P energy: -71.069 tors. eta vs tors. theta energy: -96.964 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: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -869.119905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.119905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.119905 (E_RNA) where: Base-Base interactions energy: -492.796 where: short stacking energy: -256.192 Base-Backbone interact. energy: 1.982 local terms energy: -378.305796 where: bonds (distance) C4'-P energy: -104.114 bonds (distance) P-C4' energy: -91.185 flat angles C4'-P-C4' energy: -82.855 flat angles P-C4'-P energy: -50.004 tors. eta vs tors. theta energy: -50.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -498.193006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.193006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.193006 (E_RNA) where: Base-Base interactions energy: -231.099 where: short stacking energy: -151.685 Base-Backbone interact. energy: 0.771 local terms energy: -267.865567 where: bonds (distance) C4'-P energy: -77.986 bonds (distance) P-C4' energy: -74.570 flat angles C4'-P-C4' energy: -83.170 flat angles P-C4'-P energy: -41.504 tors. eta vs tors. theta energy: 9.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1924.207435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.207435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.207435 (E_RNA) where: Base-Base interactions energy: -1338.676 where: short stacking energy: -552.107 Base-Backbone interact. energy: -1.159 local terms energy: -584.371758 where: bonds (distance) C4'-P energy: -108.084 bonds (distance) P-C4' energy: -116.407 flat angles C4'-P-C4' energy: -114.733 flat angles P-C4'-P energy: -81.321 tors. eta vs tors. theta energy: -163.827 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: 442 Temperature: 0.950000 Total energy: -1883.895627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.895627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.895627 (E_RNA) where: Base-Base interactions energy: -1298.159 where: short stacking energy: -546.810 Base-Backbone interact. energy: -4.206 local terms energy: -581.530180 where: bonds (distance) C4'-P energy: -95.881 bonds (distance) P-C4' energy: -106.336 flat angles C4'-P-C4' energy: -117.227 flat angles P-C4'-P energy: -89.168 tors. eta vs tors. theta energy: -172.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1756.740286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.740286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.740286 (E_RNA) where: Base-Base interactions energy: -1223.175 where: short stacking energy: -499.683 Base-Backbone interact. energy: 5.691 local terms energy: -539.255931 where: bonds (distance) C4'-P energy: -90.366 bonds (distance) P-C4' energy: -104.254 flat angles C4'-P-C4' energy: -124.091 flat angles P-C4'-P energy: -78.601 tors. eta vs tors. theta energy: -141.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1642.498109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.498109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.498109 (E_RNA) where: Base-Base interactions energy: -1119.590 where: short stacking energy: -476.646 Base-Backbone interact. energy: -2.061 local terms energy: -520.846918 where: bonds (distance) C4'-P energy: -106.341 bonds (distance) P-C4' energy: -93.840 flat angles C4'-P-C4' energy: -118.086 flat angles P-C4'-P energy: -82.560 tors. eta vs tors. theta energy: -120.019 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: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1585.103243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.103243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.103243 (E_RNA) where: Base-Base interactions energy: -1055.746 where: short stacking energy: -448.788 Base-Backbone interact. energy: -2.337 local terms energy: -527.020167 where: bonds (distance) C4'-P energy: -96.634 bonds (distance) P-C4' energy: -103.782 flat angles C4'-P-C4' energy: -112.479 flat angles P-C4'-P energy: -81.433 tors. eta vs tors. theta energy: -132.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1533.005466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.005466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.005466 (E_RNA) where: Base-Base interactions energy: -1035.935 where: short stacking energy: -464.391 Base-Backbone interact. energy: -2.130 local terms energy: -494.939728 where: bonds (distance) C4'-P energy: -105.084 bonds (distance) P-C4' energy: -96.918 flat angles C4'-P-C4' energy: -104.518 flat angles P-C4'-P energy: -58.945 tors. eta vs tors. theta energy: -129.474 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: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1369.897923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.897923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.897923 (E_RNA) where: Base-Base interactions energy: -921.929 where: short stacking energy: -403.351 Base-Backbone interact. energy: 3.390 local terms energy: -451.358549 where: bonds (distance) C4'-P energy: -89.570 bonds (distance) P-C4' energy: -96.846 flat angles C4'-P-C4' energy: -101.985 flat angles P-C4'-P energy: -58.552 tors. eta vs tors. theta energy: -104.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1392.404845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.404845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.404845 (E_RNA) where: Base-Base interactions energy: -966.301 where: short stacking energy: -415.888 Base-Backbone interact. energy: -1.430 local terms energy: -424.673000 where: bonds (distance) C4'-P energy: -79.846 bonds (distance) P-C4' energy: -96.652 flat angles C4'-P-C4' energy: -90.144 flat angles P-C4'-P energy: -56.452 tors. eta vs tors. theta energy: -101.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -812.668105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.668105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.668105 (E_RNA) where: Base-Base interactions energy: -478.610 where: short stacking energy: -227.470 Base-Backbone interact. energy: 1.983 local terms energy: -336.041257 where: bonds (distance) C4'-P energy: -86.594 bonds (distance) P-C4' energy: -83.875 flat angles C4'-P-C4' energy: -84.424 flat angles P-C4'-P energy: -54.412 tors. eta vs tors. theta energy: -26.737 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: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -526.489039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.489039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.489039 (E_RNA) where: Base-Base interactions energy: -246.234 where: short stacking energy: -154.559 Base-Backbone interact. energy: 3.958 local terms energy: -284.212664 where: bonds (distance) C4'-P energy: -85.447 bonds (distance) P-C4' energy: -84.991 flat angles C4'-P-C4' energy: -60.958 flat angles P-C4'-P energy: -61.694 tors. eta vs tors. theta energy: 8.878 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: 7 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1936.570096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.570096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.570096 (E_RNA) where: Base-Base interactions energy: -1319.242 where: short stacking energy: -581.187 Base-Backbone interact. energy: -1.458 local terms energy: -615.869777 where: bonds (distance) C4'-P energy: -113.597 bonds (distance) P-C4' energy: -110.570 flat angles C4'-P-C4' energy: -131.207 flat angles P-C4'-P energy: -84.606 tors. eta vs tors. theta energy: -175.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1855.229456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.229456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.229456 (E_RNA) where: Base-Base interactions energy: -1260.293 where: short stacking energy: -536.527 Base-Backbone interact. energy: -3.527 local terms energy: -591.409789 where: bonds (distance) C4'-P energy: -105.422 bonds (distance) P-C4' energy: -117.909 flat angles C4'-P-C4' energy: -120.421 flat angles P-C4'-P energy: -80.934 tors. eta vs tors. theta energy: -166.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1786.603809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.603809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.603809 (E_RNA) where: Base-Base interactions energy: -1229.043 where: short stacking energy: -497.396 Base-Backbone interact. energy: -1.164 local terms energy: -556.396530 where: bonds (distance) C4'-P energy: -106.784 bonds (distance) P-C4' energy: -103.036 flat angles C4'-P-C4' energy: -125.623 flat angles P-C4'-P energy: -80.132 tors. eta vs tors. theta energy: -140.821 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: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1634.777234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.777234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.777234 (E_RNA) where: Base-Base interactions energy: -1108.344 where: short stacking energy: -487.798 Base-Backbone interact. energy: 1.688 local terms energy: -528.121577 where: bonds (distance) C4'-P energy: -93.264 bonds (distance) P-C4' energy: -109.898 flat angles C4'-P-C4' energy: -111.133 flat angles P-C4'-P energy: -82.423 tors. eta vs tors. theta energy: -131.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1598.487847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.487847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.487847 (E_RNA) where: Base-Base interactions energy: -1089.736 where: short stacking energy: -459.790 Base-Backbone interact. energy: -0.595 local terms energy: -508.156726 where: bonds (distance) C4'-P energy: -103.899 bonds (distance) P-C4' energy: -102.815 flat angles C4'-P-C4' energy: -112.297 flat angles P-C4'-P energy: -62.610 tors. eta vs tors. theta energy: -126.536 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: 6 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1525.969185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.969185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.969185 (E_RNA) where: Base-Base interactions energy: -1047.831 where: short stacking energy: -465.821 Base-Backbone interact. energy: -1.600 local terms energy: -476.538938 where: bonds (distance) C4'-P energy: -88.680 bonds (distance) P-C4' energy: -78.347 flat angles C4'-P-C4' energy: -110.926 flat angles P-C4'-P energy: -72.059 tors. eta vs tors. theta energy: -126.527 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: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1329.534718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.534718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.534718 (E_RNA) where: Base-Base interactions energy: -879.496 where: short stacking energy: -382.792 Base-Backbone interact. energy: -1.811 local terms energy: -448.227743 where: bonds (distance) C4'-P energy: -82.703 bonds (distance) P-C4' energy: -98.499 flat angles C4'-P-C4' energy: -104.557 flat angles P-C4'-P energy: -69.948 tors. eta vs tors. theta energy: -92.521 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: 10 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1382.480768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.480768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.480768 (E_RNA) where: Base-Base interactions energy: -958.844 where: short stacking energy: -426.670 Base-Backbone interact. energy: 0.976 local terms energy: -424.612833 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -80.891 flat angles C4'-P-C4' energy: -98.040 flat angles P-C4'-P energy: -42.287 tors. eta vs tors. theta energy: -106.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -852.109260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.109260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.109260 (E_RNA) where: Base-Base interactions energy: -476.061 where: short stacking energy: -240.640 Base-Backbone interact. energy: 1.004 local terms energy: -377.052745 where: bonds (distance) C4'-P energy: -98.361 bonds (distance) P-C4' energy: -97.165 flat angles C4'-P-C4' energy: -86.237 flat angles P-C4'-P energy: -56.035 tors. eta vs tors. theta energy: -39.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -570.875836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.875836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.875836 (E_RNA) where: Base-Base interactions energy: -285.644 where: short stacking energy: -181.854 Base-Backbone interact. energy: 0.080 local terms energy: -285.312747 where: bonds (distance) C4'-P energy: -93.283 bonds (distance) P-C4' energy: -77.869 flat angles C4'-P-C4' energy: -67.976 flat angles P-C4'-P energy: -45.507 tors. eta vs tors. theta energy: -0.678 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: 7 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1946.331055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.331055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.331055 (E_RNA) where: Base-Base interactions energy: -1351.908 where: short stacking energy: -576.344 Base-Backbone interact. energy: -1.088 local terms energy: -593.335121 where: bonds (distance) C4'-P energy: -106.658 bonds (distance) P-C4' energy: -98.241 flat angles C4'-P-C4' energy: -130.423 flat angles P-C4'-P energy: -90.922 tors. eta vs tors. theta energy: -167.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1845.156693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.156693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.156693 (E_RNA) where: Base-Base interactions energy: -1280.855 where: short stacking energy: -524.786 Base-Backbone interact. energy: 0.042 local terms energy: -564.343213 where: bonds (distance) C4'-P energy: -106.450 bonds (distance) P-C4' energy: -106.774 flat angles C4'-P-C4' energy: -113.068 flat angles P-C4'-P energy: -77.873 tors. eta vs tors. theta energy: -160.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1761.307519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.307519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.307519 (E_RNA) where: Base-Base interactions energy: -1226.040 where: short stacking energy: -489.894 Base-Backbone interact. energy: -1.326 local terms energy: -533.942500 where: bonds (distance) C4'-P energy: -102.543 bonds (distance) P-C4' energy: -89.486 flat angles C4'-P-C4' energy: -121.340 flat angles P-C4'-P energy: -72.854 tors. eta vs tors. theta energy: -147.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1647.903572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.903572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.903572 (E_RNA) where: Base-Base interactions energy: -1125.886 where: short stacking energy: -495.969 Base-Backbone interact. energy: -3.497 local terms energy: -518.520636 where: bonds (distance) C4'-P energy: -85.681 bonds (distance) P-C4' energy: -108.452 flat angles C4'-P-C4' energy: -105.265 flat angles P-C4'-P energy: -86.447 tors. eta vs tors. theta energy: -132.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1570.914885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.914885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.914885 (E_RNA) where: Base-Base interactions energy: -1032.742 where: short stacking energy: -464.830 Base-Backbone interact. energy: 0.464 local terms energy: -538.636407 where: bonds (distance) C4'-P energy: -96.458 bonds (distance) P-C4' energy: -101.637 flat angles C4'-P-C4' energy: -119.222 flat angles P-C4'-P energy: -79.170 tors. eta vs tors. theta energy: -142.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1558.492314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.492314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.492314 (E_RNA) where: Base-Base interactions energy: -1067.589 where: short stacking energy: -490.363 Base-Backbone interact. energy: 2.428 local terms energy: -493.331449 where: bonds (distance) C4'-P energy: -102.614 bonds (distance) P-C4' energy: -81.477 flat angles C4'-P-C4' energy: -108.420 flat angles P-C4'-P energy: -70.784 tors. eta vs tors. theta energy: -130.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1400.816271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.816271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.816271 (E_RNA) where: Base-Base interactions energy: -941.613 where: short stacking energy: -392.191 Base-Backbone interact. energy: 0.706 local terms energy: -459.909382 where: bonds (distance) C4'-P energy: -97.330 bonds (distance) P-C4' energy: -95.083 flat angles C4'-P-C4' energy: -105.240 flat angles P-C4'-P energy: -62.006 tors. eta vs tors. theta energy: -100.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1287.421599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.421599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.421599 (E_RNA) where: Base-Base interactions energy: -856.958 where: short stacking energy: -372.429 Base-Backbone interact. energy: 1.034 local terms energy: -431.497574 where: bonds (distance) C4'-P energy: -96.594 bonds (distance) P-C4' energy: -87.601 flat angles C4'-P-C4' energy: -99.092 flat angles P-C4'-P energy: -62.375 tors. eta vs tors. theta energy: -85.836 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: 444 Temperature: 1.300000 Total energy: -882.332037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.332037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.332037 (E_RNA) where: Base-Base interactions energy: -539.924 where: short stacking energy: -239.449 Base-Backbone interact. energy: -1.818 local terms energy: -340.589992 where: bonds (distance) C4'-P energy: -95.240 bonds (distance) P-C4' energy: -96.095 flat angles C4'-P-C4' energy: -67.907 flat angles P-C4'-P energy: -54.135 tors. eta vs tors. theta energy: -27.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -556.117592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.117592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.117592 (E_RNA) where: Base-Base interactions energy: -248.963 where: short stacking energy: -146.733 Base-Backbone interact. energy: -0.798 local terms energy: -306.356429 where: bonds (distance) C4'-P energy: -84.342 bonds (distance) P-C4' energy: -86.690 flat angles C4'-P-C4' energy: -74.986 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1921.072794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.072794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.072794 (E_RNA) where: Base-Base interactions energy: -1321.023 where: short stacking energy: -577.986 Base-Backbone interact. energy: 0.433 local terms energy: -600.483199 where: bonds (distance) C4'-P energy: -109.188 bonds (distance) P-C4' energy: -114.816 flat angles C4'-P-C4' energy: -118.016 flat angles P-C4'-P energy: -89.681 tors. eta vs tors. theta energy: -168.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1873.839851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.839851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.839851 (E_RNA) where: Base-Base interactions energy: -1292.109 where: short stacking energy: -557.463 Base-Backbone interact. energy: -3.253 local terms energy: -578.478510 where: bonds (distance) C4'-P energy: -104.460 bonds (distance) P-C4' energy: -105.857 flat angles C4'-P-C4' energy: -116.423 flat angles P-C4'-P energy: -82.838 tors. eta vs tors. theta energy: -168.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1762.943305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.943305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.943305 (E_RNA) where: Base-Base interactions energy: -1242.309 where: short stacking energy: -530.577 Base-Backbone interact. energy: -2.434 local terms energy: -518.200712 where: bonds (distance) C4'-P energy: -93.580 bonds (distance) P-C4' energy: -98.477 flat angles C4'-P-C4' energy: -115.178 flat angles P-C4'-P energy: -73.408 tors. eta vs tors. theta energy: -137.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1665.053908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.053908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.053908 (E_RNA) where: Base-Base interactions energy: -1130.463 where: short stacking energy: -494.805 Base-Backbone interact. energy: -0.600 local terms energy: -533.991205 where: bonds (distance) C4'-P energy: -96.591 bonds (distance) P-C4' energy: -106.660 flat angles C4'-P-C4' energy: -109.597 flat angles P-C4'-P energy: -81.390 tors. eta vs tors. theta energy: -139.754 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: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1577.352842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.352842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.352842 (E_RNA) where: Base-Base interactions energy: -1052.729 where: short stacking energy: -459.847 Base-Backbone interact. energy: -0.503 local terms energy: -524.120784 where: bonds (distance) C4'-P energy: -94.366 bonds (distance) P-C4' energy: -104.667 flat angles C4'-P-C4' energy: -102.476 flat angles P-C4'-P energy: -90.325 tors. eta vs tors. theta energy: -132.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1537.181105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.181105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.181105 (E_RNA) where: Base-Base interactions energy: -1049.543 where: short stacking energy: -455.710 Base-Backbone interact. energy: 2.480 local terms energy: -490.117956 where: bonds (distance) C4'-P energy: -96.881 bonds (distance) P-C4' energy: -100.534 flat angles C4'-P-C4' energy: -100.425 flat angles P-C4'-P energy: -74.077 tors. eta vs tors. theta energy: -118.200 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: 10 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1424.279802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.279802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.279802 (E_RNA) where: Base-Base interactions energy: -997.562 where: short stacking energy: -421.106 Base-Backbone interact. energy: -1.969 local terms energy: -424.748573 where: bonds (distance) C4'-P energy: -85.306 bonds (distance) P-C4' energy: -72.268 flat angles C4'-P-C4' energy: -115.131 flat angles P-C4'-P energy: -47.024 tors. eta vs tors. theta energy: -105.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1300.932114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.932114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.932114 (E_RNA) where: Base-Base interactions energy: -847.391 where: short stacking energy: -360.210 Base-Backbone interact. energy: -1.103 local terms energy: -452.438055 where: bonds (distance) C4'-P energy: -98.960 bonds (distance) P-C4' energy: -84.547 flat angles C4'-P-C4' energy: -98.417 flat angles P-C4'-P energy: -67.526 tors. eta vs tors. theta energy: -102.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -836.337811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.337811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.337811 (E_RNA) where: Base-Base interactions energy: -500.638 where: short stacking energy: -220.769 Base-Backbone interact. energy: 1.794 local terms energy: -337.494160 where: bonds (distance) C4'-P energy: -92.597 bonds (distance) P-C4' energy: -92.377 flat angles C4'-P-C4' energy: -92.507 flat angles P-C4'-P energy: -36.419 tors. eta vs tors. theta energy: -23.593 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: 8 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -498.410492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.410492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.410492 (E_RNA) where: Base-Base interactions energy: -223.112 where: short stacking energy: -129.259 Base-Backbone interact. energy: 0.229 local terms energy: -275.527675 where: bonds (distance) C4'-P energy: -77.828 bonds (distance) P-C4' energy: -88.100 flat angles C4'-P-C4' energy: -67.709 flat angles P-C4'-P energy: -49.518 tors. eta vs tors. theta energy: 7.627 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: 7 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1917.305328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.305328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.305328 (E_RNA) where: Base-Base interactions energy: -1326.508 where: short stacking energy: -574.827 Base-Backbone interact. energy: -1.020 local terms energy: -589.776832 where: bonds (distance) C4'-P energy: -103.194 bonds (distance) P-C4' energy: -109.979 flat angles C4'-P-C4' energy: -126.402 flat angles P-C4'-P energy: -76.023 tors. eta vs tors. theta energy: -174.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1907.723310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.723310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.723310 (E_RNA) where: Base-Base interactions energy: -1306.048 where: short stacking energy: -557.684 Base-Backbone interact. energy: -2.292 local terms energy: -599.383749 where: bonds (distance) C4'-P energy: -100.412 bonds (distance) P-C4' energy: -106.462 flat angles C4'-P-C4' energy: -132.303 flat angles P-C4'-P energy: -86.676 tors. eta vs tors. theta energy: -173.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1765.844966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.844966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.844966 (E_RNA) where: Base-Base interactions energy: -1226.972 where: short stacking energy: -497.662 Base-Backbone interact. energy: -3.002 local terms energy: -535.871173 where: bonds (distance) C4'-P energy: -106.380 bonds (distance) P-C4' energy: -105.722 flat angles C4'-P-C4' energy: -104.206 flat angles P-C4'-P energy: -74.895 tors. eta vs tors. theta energy: -144.668 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: 446 Temperature: 1.050000 Total energy: -1614.551653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.551653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.551653 (E_RNA) where: Base-Base interactions energy: -1094.548 where: short stacking energy: -467.056 Base-Backbone interact. energy: -2.076 local terms energy: -517.927559 where: bonds (distance) C4'-P energy: -97.880 bonds (distance) P-C4' energy: -107.521 flat angles C4'-P-C4' energy: -103.078 flat angles P-C4'-P energy: -85.903 tors. eta vs tors. theta energy: -123.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1590.971746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.971746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.971746 (E_RNA) where: Base-Base interactions energy: -1106.529 where: short stacking energy: -496.484 Base-Backbone interact. energy: 1.331 local terms energy: -485.773459 where: bonds (distance) C4'-P energy: -101.180 bonds (distance) P-C4' energy: -99.064 flat angles C4'-P-C4' energy: -100.660 flat angles P-C4'-P energy: -50.179 tors. eta vs tors. theta energy: -134.690 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: 4 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1524.942773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.942773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.942773 (E_RNA) where: Base-Base interactions energy: -1034.689 where: short stacking energy: -441.111 Base-Backbone interact. energy: -2.254 local terms energy: -487.999788 where: bonds (distance) C4'-P energy: -85.654 bonds (distance) P-C4' energy: -99.497 flat angles C4'-P-C4' energy: -115.486 flat angles P-C4'-P energy: -63.107 tors. eta vs tors. theta energy: -124.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1483.574216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.574216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.574216 (E_RNA) where: Base-Base interactions energy: -1019.403 where: short stacking energy: -430.944 Base-Backbone interact. energy: 0.665 local terms energy: -464.836394 where: bonds (distance) C4'-P energy: -82.855 bonds (distance) P-C4' energy: -96.264 flat angles C4'-P-C4' energy: -105.081 flat angles P-C4'-P energy: -59.065 tors. eta vs tors. theta energy: -121.571 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: 446 Temperature: 1.250000 Total energy: -1308.068848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.068848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.068848 (E_RNA) where: Base-Base interactions energy: -870.651 where: short stacking energy: -382.868 Base-Backbone interact. energy: -3.646 local terms energy: -433.771733 where: bonds (distance) C4'-P energy: -85.445 bonds (distance) P-C4' energy: -99.293 flat angles C4'-P-C4' energy: -94.741 flat angles P-C4'-P energy: -61.375 tors. eta vs tors. theta energy: -92.919 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: 446 Temperature: 1.300000 Total energy: -833.630041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.630041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.630041 (E_RNA) where: Base-Base interactions energy: -477.600 where: short stacking energy: -228.205 Base-Backbone interact. energy: 1.341 local terms energy: -357.371397 where: bonds (distance) C4'-P energy: -86.195 bonds (distance) P-C4' energy: -97.992 flat angles C4'-P-C4' energy: -79.683 flat angles P-C4'-P energy: -61.213 tors. eta vs tors. theta energy: -32.289 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: 8 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -482.697563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.697563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.697563 (E_RNA) where: Base-Base interactions energy: -192.230 where: short stacking energy: -130.372 Base-Backbone interact. energy: 2.849 local terms energy: -293.317000 where: bonds (distance) C4'-P energy: -82.729 bonds (distance) P-C4' energy: -83.321 flat angles C4'-P-C4' energy: -94.163 flat angles P-C4'-P energy: -38.741 tors. eta vs tors. theta energy: 5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1933.635950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.635950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.635950 (E_RNA) where: Base-Base interactions energy: -1335.930 where: short stacking energy: -569.798 Base-Backbone interact. energy: -4.525 local terms energy: -593.180210 where: bonds (distance) C4'-P energy: -102.486 bonds (distance) P-C4' energy: -109.774 flat angles C4'-P-C4' energy: -127.480 flat angles P-C4'-P energy: -86.924 tors. eta vs tors. theta energy: -166.517 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: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1894.462219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.462219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.462219 (E_RNA) where: Base-Base interactions energy: -1287.824 where: short stacking energy: -562.821 Base-Backbone interact. energy: -2.315 local terms energy: -604.323279 where: bonds (distance) C4'-P energy: -109.049 bonds (distance) P-C4' energy: -111.648 flat angles C4'-P-C4' energy: -127.913 flat angles P-C4'-P energy: -82.296 tors. eta vs tors. theta energy: -173.417 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: 3 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1748.275201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.275201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.275201 (E_RNA) where: Base-Base interactions energy: -1204.542 where: short stacking energy: -484.237 Base-Backbone interact. energy: -4.798 local terms energy: -538.935103 where: bonds (distance) C4'-P energy: -100.503 bonds (distance) P-C4' energy: -105.373 flat angles C4'-P-C4' energy: -118.576 flat angles P-C4'-P energy: -77.469 tors. eta vs tors. theta energy: -137.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1630.972014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.972014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.972014 (E_RNA) where: Base-Base interactions energy: -1107.164 where: short stacking energy: -480.766 Base-Backbone interact. energy: -1.491 local terms energy: -522.316866 where: bonds (distance) C4'-P energy: -102.983 bonds (distance) P-C4' energy: -114.777 flat angles C4'-P-C4' energy: -99.573 flat angles P-C4'-P energy: -83.754 tors. eta vs tors. theta energy: -121.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1532.205300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.205300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.205300 (E_RNA) where: Base-Base interactions energy: -1001.354 where: short stacking energy: -423.397 Base-Backbone interact. energy: -2.430 local terms energy: -528.421541 where: bonds (distance) C4'-P energy: -99.813 bonds (distance) P-C4' energy: -115.135 flat angles C4'-P-C4' energy: -117.785 flat angles P-C4'-P energy: -74.357 tors. eta vs tors. theta energy: -121.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1561.086093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.086093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.086093 (E_RNA) where: Base-Base interactions energy: -1069.612 where: short stacking energy: -454.051 Base-Backbone interact. energy: -0.242 local terms energy: -491.231118 where: bonds (distance) C4'-P energy: -91.459 bonds (distance) P-C4' energy: -107.115 flat angles C4'-P-C4' energy: -99.756 flat angles P-C4'-P energy: -70.618 tors. eta vs tors. theta energy: -122.283 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: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1429.304423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.304423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.304423 (E_RNA) where: Base-Base interactions energy: -1014.254 where: short stacking energy: -428.187 Base-Backbone interact. energy: -2.026 local terms energy: -413.024465 where: bonds (distance) C4'-P energy: -80.779 bonds (distance) P-C4' energy: -68.621 flat angles C4'-P-C4' energy: -93.575 flat angles P-C4'-P energy: -59.190 tors. eta vs tors. theta energy: -110.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1269.242877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.242877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.242877 (E_RNA) where: Base-Base interactions energy: -852.275 where: short stacking energy: -376.058 Base-Backbone interact. energy: -1.914 local terms energy: -415.053250 where: bonds (distance) C4'-P energy: -73.670 bonds (distance) P-C4' energy: -93.944 flat angles C4'-P-C4' energy: -98.215 flat angles P-C4'-P energy: -65.832 tors. eta vs tors. theta energy: -83.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -852.563253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.563253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.563253 (E_RNA) where: Base-Base interactions energy: -509.924 where: short stacking energy: -234.935 Base-Backbone interact. energy: 1.496 local terms energy: -344.135371 where: bonds (distance) C4'-P energy: -87.305 bonds (distance) P-C4' energy: -101.711 flat angles C4'-P-C4' energy: -81.537 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -28.086 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: 10, replica: 8 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -536.152121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.152121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.152121 (E_RNA) where: Base-Base interactions energy: -274.033 where: short stacking energy: -154.278 Base-Backbone interact. energy: -0.619 local terms energy: -261.499831 where: bonds (distance) C4'-P energy: -75.975 bonds (distance) P-C4' energy: -93.412 flat angles C4'-P-C4' energy: -87.970 flat angles P-C4'-P energy: -16.266 tors. eta vs tors. theta energy: 12.123 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: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1924.182002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.182002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.182002 (E_RNA) where: Base-Base interactions energy: -1331.620 where: short stacking energy: -574.614 Base-Backbone interact. energy: -3.443 local terms energy: -589.118641 where: bonds (distance) C4'-P energy: -111.738 bonds (distance) P-C4' energy: -105.337 flat angles C4'-P-C4' energy: -120.227 flat angles P-C4'-P energy: -81.107 tors. eta vs tors. theta energy: -170.709 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: 448 Temperature: 0.950000 Total energy: -1889.112632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.112632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.112632 (E_RNA) where: Base-Base interactions energy: -1278.245 where: short stacking energy: -540.348 Base-Backbone interact. energy: -5.302 local terms energy: -605.564872 where: bonds (distance) C4'-P energy: -99.678 bonds (distance) P-C4' energy: -120.018 flat angles C4'-P-C4' energy: -134.217 flat angles P-C4'-P energy: -84.272 tors. eta vs tors. theta energy: -167.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1681.086139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.086139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.086139 (E_RNA) where: Base-Base interactions energy: -1132.493 where: short stacking energy: -485.987 Base-Backbone interact. energy: -3.011 local terms energy: -545.582074 where: bonds (distance) C4'-P energy: -101.936 bonds (distance) P-C4' energy: -109.794 flat angles C4'-P-C4' energy: -106.022 flat angles P-C4'-P energy: -80.404 tors. eta vs tors. theta energy: -147.426 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: 3 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1691.413731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.413731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.413731 (E_RNA) where: Base-Base interactions energy: -1172.667 where: short stacking energy: -468.862 Base-Backbone interact. energy: 2.166 local terms energy: -520.912916 where: bonds (distance) C4'-P energy: -89.502 bonds (distance) P-C4' energy: -109.273 flat angles C4'-P-C4' energy: -114.069 flat angles P-C4'-P energy: -66.619 tors. eta vs tors. theta energy: -141.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1568.970966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.970966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.970966 (E_RNA) where: Base-Base interactions energy: -1056.900 where: short stacking energy: -470.303 Base-Backbone interact. energy: -0.584 local terms energy: -511.487102 where: bonds (distance) C4'-P energy: -103.639 bonds (distance) P-C4' energy: -92.005 flat angles C4'-P-C4' energy: -112.302 flat angles P-C4'-P energy: -78.995 tors. eta vs tors. theta energy: -124.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1486.619354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.619354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.619354 (E_RNA) where: Base-Base interactions energy: -989.697 where: short stacking energy: -433.941 Base-Backbone interact. energy: -2.784 local terms energy: -494.139023 where: bonds (distance) C4'-P energy: -100.126 bonds (distance) P-C4' energy: -106.383 flat angles C4'-P-C4' energy: -104.592 flat angles P-C4'-P energy: -73.018 tors. eta vs tors. theta energy: -110.020 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: 7, replica: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1468.326583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.326583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.326583 (E_RNA) where: Base-Base interactions energy: -998.743 where: short stacking energy: -415.856 Base-Backbone interact. energy: -0.068 local terms energy: -469.514870 where: bonds (distance) C4'-P energy: -101.533 bonds (distance) P-C4' energy: -86.304 flat angles C4'-P-C4' energy: -105.988 flat angles P-C4'-P energy: -70.651 tors. eta vs tors. theta energy: -105.039 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: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1256.843420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.843420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.843420 (E_RNA) where: Base-Base interactions energy: -800.814 where: short stacking energy: -347.825 Base-Backbone interact. energy: -1.358 local terms energy: -454.672126 where: bonds (distance) C4'-P energy: -99.309 bonds (distance) P-C4' energy: -92.097 flat angles C4'-P-C4' energy: -99.045 flat angles P-C4'-P energy: -74.807 tors. eta vs tors. theta energy: -89.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -853.634190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.634190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.634190 (E_RNA) where: Base-Base interactions energy: -504.285 where: short stacking energy: -236.137 Base-Backbone interact. energy: -2.614 local terms energy: -346.735126 where: bonds (distance) C4'-P energy: -100.066 bonds (distance) P-C4' energy: -87.802 flat angles C4'-P-C4' energy: -84.188 flat angles P-C4'-P energy: -50.492 tors. eta vs tors. theta energy: -24.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -540.164350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.164350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.164350 (E_RNA) where: Base-Base interactions energy: -226.819 where: short stacking energy: -133.556 Base-Backbone interact. energy: -1.005 local terms energy: -312.339781 where: bonds (distance) C4'-P energy: -96.325 bonds (distance) P-C4' energy: -74.627 flat angles C4'-P-C4' energy: -87.576 flat angles P-C4'-P energy: -62.928 tors. eta vs tors. theta energy: 9.116 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: 1, replica: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1935.860082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.860082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.860082 (E_RNA) where: Base-Base interactions energy: -1337.351 where: short stacking energy: -557.643 Base-Backbone interact. energy: -2.310 local terms energy: -596.198492 where: bonds (distance) C4'-P energy: -103.823 bonds (distance) P-C4' energy: -104.341 flat angles C4'-P-C4' energy: -130.039 flat angles P-C4'-P energy: -91.901 tors. eta vs tors. theta energy: -166.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1856.952539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.952539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.952539 (E_RNA) where: Base-Base interactions energy: -1272.172 where: short stacking energy: -554.942 Base-Backbone interact. energy: -2.841 local terms energy: -581.938954 where: bonds (distance) C4'-P energy: -90.603 bonds (distance) P-C4' energy: -110.400 flat angles C4'-P-C4' energy: -129.616 flat angles P-C4'-P energy: -86.584 tors. eta vs tors. theta energy: -164.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1698.074709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.074709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.074709 (E_RNA) where: Base-Base interactions energy: -1174.706 where: short stacking energy: -514.573 Base-Backbone interact. energy: -2.377 local terms energy: -520.992339 where: bonds (distance) C4'-P energy: -99.879 bonds (distance) P-C4' energy: -113.862 flat angles C4'-P-C4' energy: -111.547 flat angles P-C4'-P energy: -66.236 tors. eta vs tors. theta energy: -129.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1747.095692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.095692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.095692 (E_RNA) where: Base-Base interactions energy: -1210.658 where: short stacking energy: -500.362 Base-Backbone interact. energy: -5.172 local terms energy: -531.265813 where: bonds (distance) C4'-P energy: -109.899 bonds (distance) P-C4' energy: -97.318 flat angles C4'-P-C4' energy: -108.925 flat angles P-C4'-P energy: -67.430 tors. eta vs tors. theta energy: -147.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1565.412910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.412910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.412910 (E_RNA) where: Base-Base interactions energy: -1065.679 where: short stacking energy: -471.449 Base-Backbone interact. energy: 0.693 local terms energy: -500.426369 where: bonds (distance) C4'-P energy: -95.959 bonds (distance) P-C4' energy: -96.112 flat angles C4'-P-C4' energy: -118.734 flat angles P-C4'-P energy: -69.510 tors. eta vs tors. theta energy: -120.111 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: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1511.616683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.616683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.616683 (E_RNA) where: Base-Base interactions energy: -1035.032 where: short stacking energy: -426.903 Base-Backbone interact. energy: -0.798 local terms energy: -475.786386 where: bonds (distance) C4'-P energy: -90.255 bonds (distance) P-C4' energy: -91.478 flat angles C4'-P-C4' energy: -107.198 flat angles P-C4'-P energy: -73.542 tors. eta vs tors. theta energy: -113.314 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: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1470.299678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.299678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.299678 (E_RNA) where: Base-Base interactions energy: -1010.445 where: short stacking energy: -435.831 Base-Backbone interact. energy: -0.964 local terms energy: -458.890921 where: bonds (distance) C4'-P energy: -82.693 bonds (distance) P-C4' energy: -92.180 flat angles C4'-P-C4' energy: -96.809 flat angles P-C4'-P energy: -71.393 tors. eta vs tors. theta energy: -115.816 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: 449 Temperature: 1.250000 Total energy: -1295.444114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.444114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.444114 (E_RNA) where: Base-Base interactions energy: -878.160 where: short stacking energy: -377.408 Base-Backbone interact. energy: -0.017 local terms energy: -417.266765 where: bonds (distance) C4'-P energy: -75.731 bonds (distance) P-C4' energy: -83.554 flat angles C4'-P-C4' energy: -98.813 flat angles P-C4'-P energy: -53.117 tors. eta vs tors. theta energy: -106.051 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: 449 Temperature: 1.300000 Total energy: -842.156658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.156658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.156658 (E_RNA) where: Base-Base interactions energy: -503.717 where: short stacking energy: -226.260 Base-Backbone interact. energy: -2.448 local terms energy: -335.991914 where: bonds (distance) C4'-P energy: -90.542 bonds (distance) P-C4' energy: -96.459 flat angles C4'-P-C4' energy: -86.093 flat angles P-C4'-P energy: -50.563 tors. eta vs tors. theta energy: -12.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -522.398370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.398370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.398370 (E_RNA) where: Base-Base interactions energy: -246.215 where: short stacking energy: -130.573 Base-Backbone interact. energy: 0.510 local terms energy: -276.693143 where: bonds (distance) C4'-P energy: -90.672 bonds (distance) P-C4' energy: -102.250 flat angles C4'-P-C4' energy: -52.648 flat angles P-C4'-P energy: -45.056 tors. eta vs tors. theta energy: 13.932 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: 7 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1927.330408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.330408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.330408 (E_RNA) where: Base-Base interactions energy: -1314.741 where: short stacking energy: -577.318 Base-Backbone interact. energy: -1.703 local terms energy: -610.886112 where: bonds (distance) C4'-P energy: -117.814 bonds (distance) P-C4' energy: -116.007 flat angles C4'-P-C4' energy: -124.828 flat angles P-C4'-P energy: -82.284 tors. eta vs tors. theta energy: -169.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1886.625065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.625065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.625065 (E_RNA) where: Base-Base interactions energy: -1297.594 where: short stacking energy: -549.599 Base-Backbone interact. energy: -0.440 local terms energy: -588.591121 where: bonds (distance) C4'-P energy: -104.401 bonds (distance) P-C4' energy: -107.045 flat angles C4'-P-C4' energy: -116.544 flat angles P-C4'-P energy: -91.802 tors. eta vs tors. theta energy: -168.799 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: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1741.452551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.452551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.452551 (E_RNA) where: Base-Base interactions energy: -1210.512 where: short stacking energy: -538.451 Base-Backbone interact. energy: -2.202 local terms energy: -528.738354 where: bonds (distance) C4'-P energy: -95.115 bonds (distance) P-C4' energy: -102.454 flat angles C4'-P-C4' energy: -108.721 flat angles P-C4'-P energy: -77.430 tors. eta vs tors. theta energy: -145.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1697.548932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.548932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.548932 (E_RNA) where: Base-Base interactions energy: -1168.371 where: short stacking energy: -478.992 Base-Backbone interact. energy: -0.978 local terms energy: -528.200139 where: bonds (distance) C4'-P energy: -99.333 bonds (distance) P-C4' energy: -101.127 flat angles C4'-P-C4' energy: -112.382 flat angles P-C4'-P energy: -72.844 tors. eta vs tors. theta energy: -142.514 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: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1565.728545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.728545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.728545 (E_RNA) where: Base-Base interactions energy: -1078.137 where: short stacking energy: -466.953 Base-Backbone interact. energy: -2.312 local terms energy: -485.279678 where: bonds (distance) C4'-P energy: -88.460 bonds (distance) P-C4' energy: -106.854 flat angles C4'-P-C4' energy: -101.028 flat angles P-C4'-P energy: -65.243 tors. eta vs tors. theta energy: -123.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1519.970793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.970793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.970793 (E_RNA) where: Base-Base interactions energy: -996.441 where: short stacking energy: -438.850 Base-Backbone interact. energy: 2.210 local terms energy: -525.740250 where: bonds (distance) C4'-P energy: -101.287 bonds (distance) P-C4' energy: -120.015 flat angles C4'-P-C4' energy: -118.777 flat angles P-C4'-P energy: -69.878 tors. eta vs tors. theta energy: -115.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1365.574753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.574753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.574753 (E_RNA) where: Base-Base interactions energy: -912.079 where: short stacking energy: -379.449 Base-Backbone interact. energy: 0.206 local terms energy: -453.701888 where: bonds (distance) C4'-P energy: -83.979 bonds (distance) P-C4' energy: -103.597 flat angles C4'-P-C4' energy: -105.398 flat angles P-C4'-P energy: -58.289 tors. eta vs tors. theta energy: -102.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1444.833220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.833220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.833220 (E_RNA) where: Base-Base interactions energy: -973.774 where: short stacking energy: -421.329 Base-Backbone interact. energy: 0.425 local terms energy: -471.484325 where: bonds (distance) C4'-P energy: -101.047 bonds (distance) P-C4' energy: -105.388 flat angles C4'-P-C4' energy: -92.813 flat angles P-C4'-P energy: -61.422 tors. eta vs tors. theta energy: -110.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -814.453246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.453246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.453246 (E_RNA) where: Base-Base interactions energy: -435.559 where: short stacking energy: -223.078 Base-Backbone interact. energy: -2.548 local terms energy: -376.345385 where: bonds (distance) C4'-P energy: -103.796 bonds (distance) P-C4' energy: -86.409 flat angles C4'-P-C4' energy: -92.564 flat angles P-C4'-P energy: -59.979 tors. eta vs tors. theta energy: -33.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -507.691731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.691731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.691731 (E_RNA) where: Base-Base interactions energy: -208.065 where: short stacking energy: -146.929 Base-Backbone interact. energy: -0.586 local terms energy: -299.041155 where: bonds (distance) C4'-P energy: -96.381 bonds (distance) P-C4' energy: -71.629 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -65.761 tors. eta vs tors. theta energy: 9.558 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: 1, replica: 7 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1890.178272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.178272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.178272 (E_RNA) where: Base-Base interactions energy: -1331.493 where: short stacking energy: -564.371 Base-Backbone interact. energy: -3.066 local terms energy: -555.619978 where: bonds (distance) C4'-P energy: -112.973 bonds (distance) P-C4' energy: -88.873 flat angles C4'-P-C4' energy: -132.393 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: -157.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1879.426214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.426214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.426214 (E_RNA) where: Base-Base interactions energy: -1303.975 where: short stacking energy: -566.006 Base-Backbone interact. energy: -1.852 local terms energy: -573.599587 where: bonds (distance) C4'-P energy: -110.062 bonds (distance) P-C4' energy: -94.690 flat angles C4'-P-C4' energy: -120.095 flat angles P-C4'-P energy: -82.718 tors. eta vs tors. theta energy: -166.035 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: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1742.412068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.412068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.412068 (E_RNA) where: Base-Base interactions energy: -1185.262 where: short stacking energy: -510.699 Base-Backbone interact. energy: 1.729 local terms energy: -558.879214 where: bonds (distance) C4'-P energy: -88.668 bonds (distance) P-C4' energy: -109.139 flat angles C4'-P-C4' energy: -126.251 flat angles P-C4'-P energy: -88.758 tors. eta vs tors. theta energy: -146.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1724.169687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.169687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.169687 (E_RNA) where: Base-Base interactions energy: -1184.852 where: short stacking energy: -488.832 Base-Backbone interact. energy: -2.273 local terms energy: -537.044990 where: bonds (distance) C4'-P energy: -113.930 bonds (distance) P-C4' energy: -110.934 flat angles C4'-P-C4' energy: -111.946 flat angles P-C4'-P energy: -60.395 tors. eta vs tors. theta energy: -139.840 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: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1548.424540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.424540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.424540 (E_RNA) where: Base-Base interactions energy: -1032.160 where: short stacking energy: -464.493 Base-Backbone interact. energy: 0.715 local terms energy: -516.979890 where: bonds (distance) C4'-P energy: -107.664 bonds (distance) P-C4' energy: -111.127 flat angles C4'-P-C4' energy: -99.857 flat angles P-C4'-P energy: -74.298 tors. eta vs tors. theta energy: -124.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1557.900628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.900628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.900628 (E_RNA) where: Base-Base interactions energy: -1053.402 where: short stacking energy: -473.818 Base-Backbone interact. energy: -0.704 local terms energy: -503.794538 where: bonds (distance) C4'-P energy: -88.532 bonds (distance) P-C4' energy: -116.693 flat angles C4'-P-C4' energy: -108.812 flat angles P-C4'-P energy: -59.040 tors. eta vs tors. theta energy: -130.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1357.194524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.194524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.194524 (E_RNA) where: Base-Base interactions energy: -925.227 where: short stacking energy: -384.120 Base-Backbone interact. energy: 1.020 local terms energy: -432.988133 where: bonds (distance) C4'-P energy: -84.282 bonds (distance) P-C4' energy: -95.741 flat angles C4'-P-C4' energy: -98.649 flat angles P-C4'-P energy: -64.216 tors. eta vs tors. theta energy: -90.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1415.093012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.093012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.093012 (E_RNA) where: Base-Base interactions energy: -951.237 where: short stacking energy: -421.396 Base-Backbone interact. energy: -1.418 local terms energy: -462.438036 where: bonds (distance) C4'-P energy: -93.670 bonds (distance) P-C4' energy: -103.606 flat angles C4'-P-C4' energy: -102.652 flat angles P-C4'-P energy: -61.117 tors. eta vs tors. theta energy: -101.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -851.939036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.939036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.939036 (E_RNA) where: Base-Base interactions energy: -496.623 where: short stacking energy: -231.246 Base-Backbone interact. energy: -0.401 local terms energy: -354.915447 where: bonds (distance) C4'-P energy: -80.871 bonds (distance) P-C4' energy: -93.915 flat angles C4'-P-C4' energy: -86.813 flat angles P-C4'-P energy: -70.334 tors. eta vs tors. theta energy: -22.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -514.627644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.627644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.627644 (E_RNA) where: Base-Base interactions energy: -229.707 where: short stacking energy: -137.845 Base-Backbone interact. energy: 3.997 local terms energy: -288.916988 where: bonds (distance) C4'-P energy: -82.604 bonds (distance) P-C4' energy: -95.527 flat angles C4'-P-C4' energy: -73.742 flat angles P-C4'-P energy: -49.491 tors. eta vs tors. theta energy: 12.447 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: 7 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1908.139515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.139515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.139515 (E_RNA) where: Base-Base interactions energy: -1315.708 where: short stacking energy: -571.967 Base-Backbone interact. energy: -2.128 local terms energy: -590.303978 where: bonds (distance) C4'-P energy: -90.374 bonds (distance) P-C4' energy: -107.447 flat angles C4'-P-C4' energy: -129.186 flat angles P-C4'-P energy: -93.951 tors. eta vs tors. theta energy: -169.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1850.367315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.367315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.367315 (E_RNA) where: Base-Base interactions energy: -1250.229 where: short stacking energy: -547.427 Base-Backbone interact. energy: -5.020 local terms energy: -595.117608 where: bonds (distance) C4'-P energy: -106.352 bonds (distance) P-C4' energy: -113.833 flat angles C4'-P-C4' energy: -125.698 flat angles P-C4'-P energy: -79.352 tors. eta vs tors. theta energy: -169.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1725.167774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.167774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.167774 (E_RNA) where: Base-Base interactions energy: -1164.221 where: short stacking energy: -495.846 Base-Backbone interact. energy: -0.479 local terms energy: -560.467520 where: bonds (distance) C4'-P energy: -96.083 bonds (distance) P-C4' energy: -118.482 flat angles C4'-P-C4' energy: -120.107 flat angles P-C4'-P energy: -82.229 tors. eta vs tors. theta energy: -143.567 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: 3 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1731.669310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.669310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.669310 (E_RNA) where: Base-Base interactions energy: -1194.647 where: short stacking energy: -532.958 Base-Backbone interact. energy: -1.285 local terms energy: -535.737248 where: bonds (distance) C4'-P energy: -93.935 bonds (distance) P-C4' energy: -98.061 flat angles C4'-P-C4' energy: -118.638 flat angles P-C4'-P energy: -73.790 tors. eta vs tors. theta energy: -151.314 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: 10 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1583.827442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.827442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.827442 (E_RNA) where: Base-Base interactions energy: -1042.492 where: short stacking energy: -455.741 Base-Backbone interact. energy: 0.097 local terms energy: -541.432806 where: bonds (distance) C4'-P energy: -101.234 bonds (distance) P-C4' energy: -94.626 flat angles C4'-P-C4' energy: -119.734 flat angles P-C4'-P energy: -88.099 tors. eta vs tors. theta energy: -137.740 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: 6 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1494.116230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.116230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.116230 (E_RNA) where: Base-Base interactions energy: -989.441 where: short stacking energy: -415.088 Base-Backbone interact. energy: -3.545 local terms energy: -501.130578 where: bonds (distance) C4'-P energy: -101.943 bonds (distance) P-C4' energy: -109.549 flat angles C4'-P-C4' energy: -111.337 flat angles P-C4'-P energy: -66.162 tors. eta vs tors. theta energy: -112.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1433.513359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.513359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.513359 (E_RNA) where: Base-Base interactions energy: -976.483 where: short stacking energy: -419.814 Base-Backbone interact. energy: -5.021 local terms energy: -452.009770 where: bonds (distance) C4'-P energy: -98.146 bonds (distance) P-C4' energy: -87.160 flat angles C4'-P-C4' energy: -106.296 flat angles P-C4'-P energy: -52.883 tors. eta vs tors. theta energy: -107.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1310.614927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.614927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.614927 (E_RNA) where: Base-Base interactions energy: -875.345 where: short stacking energy: -354.087 Base-Backbone interact. energy: 0.918 local terms energy: -436.187723 where: bonds (distance) C4'-P energy: -97.516 bonds (distance) P-C4' energy: -80.074 flat angles C4'-P-C4' energy: -106.972 flat angles P-C4'-P energy: -67.683 tors. eta vs tors. theta energy: -83.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -846.259303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.259303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.259303 (E_RNA) where: Base-Base interactions energy: -492.581 where: short stacking energy: -252.591 Base-Backbone interact. energy: 1.845 local terms energy: -355.523129 where: bonds (distance) C4'-P energy: -88.385 bonds (distance) P-C4' energy: -97.288 flat angles C4'-P-C4' energy: -78.975 flat angles P-C4'-P energy: -49.470 tors. eta vs tors. theta energy: -41.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -552.455368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.455368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.455368 (E_RNA) where: Base-Base interactions energy: -243.140 where: short stacking energy: -158.563 Base-Backbone interact. energy: 0.205 local terms energy: -309.520018 where: bonds (distance) C4'-P energy: -88.033 bonds (distance) P-C4' energy: -82.858 flat angles C4'-P-C4' energy: -93.841 flat angles P-C4'-P energy: -42.252 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1911.271725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.271725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.271725 (E_RNA) where: Base-Base interactions energy: -1320.747 where: short stacking energy: -583.365 Base-Backbone interact. energy: -0.403 local terms energy: -590.121020 where: bonds (distance) C4'-P energy: -110.092 bonds (distance) P-C4' energy: -108.205 flat angles C4'-P-C4' energy: -128.912 flat angles P-C4'-P energy: -81.886 tors. eta vs tors. theta energy: -161.026 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: 453 Temperature: 0.950000 Total energy: -1884.719001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.719001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.719001 (E_RNA) where: Base-Base interactions energy: -1301.333 where: short stacking energy: -552.284 Base-Backbone interact. energy: -2.559 local terms energy: -580.827548 where: bonds (distance) C4'-P energy: -105.939 bonds (distance) P-C4' energy: -113.801 flat angles C4'-P-C4' energy: -112.151 flat angles P-C4'-P energy: -76.702 tors. eta vs tors. theta energy: -172.235 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: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1755.997632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.997632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.997632 (E_RNA) where: Base-Base interactions energy: -1208.802 where: short stacking energy: -520.271 Base-Backbone interact. energy: -3.555 local terms energy: -543.640221 where: bonds (distance) C4'-P energy: -106.257 bonds (distance) P-C4' energy: -98.575 flat angles C4'-P-C4' energy: -124.373 flat angles P-C4'-P energy: -72.319 tors. eta vs tors. theta energy: -142.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1699.168777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.168777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.168777 (E_RNA) where: Base-Base interactions energy: -1175.360 where: short stacking energy: -492.682 Base-Backbone interact. energy: -2.485 local terms energy: -521.323800 where: bonds (distance) C4'-P energy: -91.899 bonds (distance) P-C4' energy: -97.336 flat angles C4'-P-C4' energy: -120.124 flat angles P-C4'-P energy: -73.910 tors. eta vs tors. theta energy: -138.055 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: 10 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1547.463515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.463515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.463515 (E_RNA) where: Base-Base interactions energy: -1038.792 where: short stacking energy: -451.028 Base-Backbone interact. energy: -0.556 local terms energy: -508.115922 where: bonds (distance) C4'-P energy: -104.500 bonds (distance) P-C4' energy: -95.329 flat angles C4'-P-C4' energy: -113.461 flat angles P-C4'-P energy: -71.424 tors. eta vs tors. theta energy: -123.402 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: 6 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1475.683366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.683366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.683366 (E_RNA) where: Base-Base interactions energy: -981.676 where: short stacking energy: -430.672 Base-Backbone interact. energy: 0.061 local terms energy: -494.069093 where: bonds (distance) C4'-P energy: -96.042 bonds (distance) P-C4' energy: -76.470 flat angles C4'-P-C4' energy: -111.239 flat angles P-C4'-P energy: -88.844 tors. eta vs tors. theta energy: -121.473 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: 4 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1445.684137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.684137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.684137 (E_RNA) where: Base-Base interactions energy: -983.938 where: short stacking energy: -426.595 Base-Backbone interact. energy: -1.029 local terms energy: -460.717211 where: bonds (distance) C4'-P energy: -104.938 bonds (distance) P-C4' energy: -90.790 flat angles C4'-P-C4' energy: -91.314 flat angles P-C4'-P energy: -67.263 tors. eta vs tors. theta energy: -106.412 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: 453 Temperature: 1.250000 Total energy: -1280.339585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.339585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.339585 (E_RNA) where: Base-Base interactions energy: -844.461 where: short stacking energy: -374.945 Base-Backbone interact. energy: -0.805 local terms energy: -435.073250 where: bonds (distance) C4'-P energy: -76.533 bonds (distance) P-C4' energy: -105.583 flat angles C4'-P-C4' energy: -105.011 flat angles P-C4'-P energy: -64.078 tors. eta vs tors. theta energy: -83.868 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: 453 Temperature: 1.300000 Total energy: -860.649311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.649311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.649311 (E_RNA) where: Base-Base interactions energy: -487.581 where: short stacking energy: -232.360 Base-Backbone interact. energy: -2.215 local terms energy: -370.853728 where: bonds (distance) C4'-P energy: -97.711 bonds (distance) P-C4' energy: -84.515 flat angles C4'-P-C4' energy: -87.122 flat angles P-C4'-P energy: -65.972 tors. eta vs tors. theta energy: -35.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -531.791409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.791409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.791409 (E_RNA) where: Base-Base interactions energy: -260.497 where: short stacking energy: -183.181 Base-Backbone interact. energy: 0.780 local terms energy: -272.074098 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -89.267 flat angles C4'-P-C4' energy: -71.926 flat angles P-C4'-P energy: -42.518 tors. eta vs tors. theta energy: 9.088 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: 1, replica: 5 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1931.920895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.920895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.920895 (E_RNA) where: Base-Base interactions energy: -1336.925 where: short stacking energy: -574.697 Base-Backbone interact. energy: 0.950 local terms energy: -595.946304 where: bonds (distance) C4'-P energy: -102.415 bonds (distance) P-C4' energy: -102.485 flat angles C4'-P-C4' energy: -129.311 flat angles P-C4'-P energy: -78.119 tors. eta vs tors. theta energy: -183.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1872.130461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.130461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.130461 (E_RNA) where: Base-Base interactions energy: -1297.452 where: short stacking energy: -558.473 Base-Backbone interact. energy: -3.367 local terms energy: -571.311491 where: bonds (distance) C4'-P energy: -91.221 bonds (distance) P-C4' energy: -104.147 flat angles C4'-P-C4' energy: -122.016 flat angles P-C4'-P energy: -84.110 tors. eta vs tors. theta energy: -169.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1731.142034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.142034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.142034 (E_RNA) where: Base-Base interactions energy: -1183.448 where: short stacking energy: -500.460 Base-Backbone interact. energy: -3.592 local terms energy: -544.102604 where: bonds (distance) C4'-P energy: -106.977 bonds (distance) P-C4' energy: -111.339 flat angles C4'-P-C4' energy: -111.661 flat angles P-C4'-P energy: -74.469 tors. eta vs tors. theta energy: -139.657 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: 454 Temperature: 1.050000 Total energy: -1667.650287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.650287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.650287 (E_RNA) where: Base-Base interactions energy: -1136.689 where: short stacking energy: -504.238 Base-Backbone interact. energy: -1.430 local terms energy: -529.530969 where: bonds (distance) C4'-P energy: -92.746 bonds (distance) P-C4' energy: -110.121 flat angles C4'-P-C4' energy: -119.189 flat angles P-C4'-P energy: -76.347 tors. eta vs tors. theta energy: -131.128 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: 10 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1589.017801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.017801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.017801 (E_RNA) where: Base-Base interactions energy: -1078.115 where: short stacking energy: -496.483 Base-Backbone interact. energy: -0.799 local terms energy: -510.104390 where: bonds (distance) C4'-P energy: -85.488 bonds (distance) P-C4' energy: -90.132 flat angles C4'-P-C4' energy: -115.082 flat angles P-C4'-P energy: -83.440 tors. eta vs tors. theta energy: -135.963 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: 454 Temperature: 1.150000 Total energy: -1478.332945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.332945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.332945 (E_RNA) where: Base-Base interactions energy: -985.753 where: short stacking energy: -417.881 Base-Backbone interact. energy: 1.804 local terms energy: -494.384565 where: bonds (distance) C4'-P energy: -103.023 bonds (distance) P-C4' energy: -108.288 flat angles C4'-P-C4' energy: -103.092 flat angles P-C4'-P energy: -78.620 tors. eta vs tors. theta energy: -101.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1420.508245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.508245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.508245 (E_RNA) where: Base-Base interactions energy: -993.110 where: short stacking energy: -415.021 Base-Backbone interact. energy: 1.743 local terms energy: -429.140621 where: bonds (distance) C4'-P energy: -94.026 bonds (distance) P-C4' energy: -71.865 flat angles C4'-P-C4' energy: -86.782 flat angles P-C4'-P energy: -70.947 tors. eta vs tors. theta energy: -105.521 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: 454 Temperature: 1.250000 Total energy: -1259.531296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.531296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.531296 (E_RNA) where: Base-Base interactions energy: -851.178 where: short stacking energy: -351.891 Base-Backbone interact. energy: -3.731 local terms energy: -404.621979 where: bonds (distance) C4'-P energy: -97.937 bonds (distance) P-C4' energy: -81.720 flat angles C4'-P-C4' energy: -107.442 flat angles P-C4'-P energy: -41.094 tors. eta vs tors. theta energy: -76.429 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: 454 Temperature: 1.300000 Total energy: -866.928743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.928743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.928743 (E_RNA) where: Base-Base interactions energy: -524.101 where: short stacking energy: -248.997 Base-Backbone interact. energy: -1.439 local terms energy: -341.388903 where: bonds (distance) C4'-P energy: -74.175 bonds (distance) P-C4' energy: -93.003 flat angles C4'-P-C4' energy: -84.330 flat angles P-C4'-P energy: -57.879 tors. eta vs tors. theta energy: -32.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -495.744442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.744442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.744442 (E_RNA) where: Base-Base interactions energy: -223.082 where: short stacking energy: -156.702 Base-Backbone interact. energy: 0.688 local terms energy: -273.349877 where: bonds (distance) C4'-P energy: -74.524 bonds (distance) P-C4' energy: -92.357 flat angles C4'-P-C4' energy: -68.303 flat angles P-C4'-P energy: -55.781 tors. eta vs tors. theta energy: 17.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1917.361125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.361125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.361125 (E_RNA) where: Base-Base interactions energy: -1314.219 where: short stacking energy: -580.304 Base-Backbone interact. energy: -0.857 local terms energy: -602.284623 where: bonds (distance) C4'-P energy: -108.763 bonds (distance) P-C4' energy: -101.689 flat angles C4'-P-C4' energy: -127.498 flat angles P-C4'-P energy: -87.358 tors. eta vs tors. theta energy: -176.976 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: 7 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1866.324542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.324542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.324542 (E_RNA) where: Base-Base interactions energy: -1264.210 where: short stacking energy: -561.161 Base-Backbone interact. energy: -0.483 local terms energy: -601.631207 where: bonds (distance) C4'-P energy: -107.144 bonds (distance) P-C4' energy: -107.150 flat angles C4'-P-C4' energy: -127.134 flat angles P-C4'-P energy: -90.931 tors. eta vs tors. theta energy: -169.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1770.297623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.297623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.297623 (E_RNA) where: Base-Base interactions energy: -1207.905 where: short stacking energy: -517.179 Base-Backbone interact. energy: -4.338 local terms energy: -558.054936 where: bonds (distance) C4'-P energy: -110.204 bonds (distance) P-C4' energy: -107.207 flat angles C4'-P-C4' energy: -115.945 flat angles P-C4'-P energy: -77.813 tors. eta vs tors. theta energy: -146.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1636.398029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.398029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.398029 (E_RNA) where: Base-Base interactions energy: -1126.448 where: short stacking energy: -465.415 Base-Backbone interact. energy: -1.834 local terms energy: -508.116255 where: bonds (distance) C4'-P energy: -87.573 bonds (distance) P-C4' energy: -104.948 flat angles C4'-P-C4' energy: -121.995 flat angles P-C4'-P energy: -57.853 tors. eta vs tors. theta energy: -135.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1564.753372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.753372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.753372 (E_RNA) where: Base-Base interactions energy: -1065.671 where: short stacking energy: -461.936 Base-Backbone interact. energy: -2.681 local terms energy: -496.400869 where: bonds (distance) C4'-P energy: -88.934 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -113.052 flat angles P-C4'-P energy: -71.685 tors. eta vs tors. theta energy: -126.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1531.147832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.147832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.147832 (E_RNA) where: Base-Base interactions energy: -1021.984 where: short stacking energy: -439.600 Base-Backbone interact. energy: -0.168 local terms energy: -508.995721 where: bonds (distance) C4'-P energy: -98.774 bonds (distance) P-C4' energy: -100.815 flat angles C4'-P-C4' energy: -107.568 flat angles P-C4'-P energy: -65.922 tors. eta vs tors. theta energy: -135.917 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: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1379.717655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.717655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.717655 (E_RNA) where: Base-Base interactions energy: -917.367 where: short stacking energy: -375.666 Base-Backbone interact. energy: -1.910 local terms energy: -460.440695 where: bonds (distance) C4'-P energy: -96.483 bonds (distance) P-C4' energy: -96.378 flat angles C4'-P-C4' energy: -97.808 flat angles P-C4'-P energy: -71.157 tors. eta vs tors. theta energy: -98.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1251.538554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.538554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.538554 (E_RNA) where: Base-Base interactions energy: -845.764 where: short stacking energy: -375.051 Base-Backbone interact. energy: 0.886 local terms energy: -406.660420 where: bonds (distance) C4'-P energy: -64.901 bonds (distance) P-C4' energy: -83.338 flat angles C4'-P-C4' energy: -102.999 flat angles P-C4'-P energy: -70.188 tors. eta vs tors. theta energy: -85.235 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: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -829.677229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.677229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.677229 (E_RNA) where: Base-Base interactions energy: -480.138 where: short stacking energy: -221.187 Base-Backbone interact. energy: -1.962 local terms energy: -347.577562 where: bonds (distance) C4'-P energy: -95.541 bonds (distance) P-C4' energy: -95.512 flat angles C4'-P-C4' energy: -85.626 flat angles P-C4'-P energy: -42.293 tors. eta vs tors. theta energy: -28.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -536.630255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.630255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.630255 (E_RNA) where: Base-Base interactions energy: -234.791 where: short stacking energy: -154.317 Base-Backbone interact. energy: 0.128 local terms energy: -301.966748 where: bonds (distance) C4'-P energy: -94.650 bonds (distance) P-C4' energy: -91.836 flat angles C4'-P-C4' energy: -59.392 flat angles P-C4'-P energy: -54.508 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1916.104177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.104177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.104177 (E_RNA) where: Base-Base interactions energy: -1323.454 where: short stacking energy: -573.993 Base-Backbone interact. energy: -0.921 local terms energy: -591.729586 where: bonds (distance) C4'-P energy: -101.152 bonds (distance) P-C4' energy: -108.231 flat angles C4'-P-C4' energy: -122.662 flat angles P-C4'-P energy: -83.789 tors. eta vs tors. theta energy: -175.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1854.672686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.672686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.672686 (E_RNA) where: Base-Base interactions energy: -1288.032 where: short stacking energy: -548.384 Base-Backbone interact. energy: 1.876 local terms energy: -568.516025 where: bonds (distance) C4'-P energy: -118.885 bonds (distance) P-C4' energy: -94.863 flat angles C4'-P-C4' energy: -119.453 flat angles P-C4'-P energy: -77.385 tors. eta vs tors. theta energy: -157.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1788.536359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.536359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.536359 (E_RNA) where: Base-Base interactions energy: -1250.785 where: short stacking energy: -546.952 Base-Backbone interact. energy: 1.466 local terms energy: -539.217979 where: bonds (distance) C4'-P energy: -102.913 bonds (distance) P-C4' energy: -95.082 flat angles C4'-P-C4' energy: -114.028 flat angles P-C4'-P energy: -72.158 tors. eta vs tors. theta energy: -155.038 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: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1645.958847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.958847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.958847 (E_RNA) where: Base-Base interactions energy: -1109.745 where: short stacking energy: -477.407 Base-Backbone interact. energy: -1.800 local terms energy: -534.413976 where: bonds (distance) C4'-P energy: -95.975 bonds (distance) P-C4' energy: -115.754 flat angles C4'-P-C4' energy: -106.857 flat angles P-C4'-P energy: -82.613 tors. eta vs tors. theta energy: -133.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1566.423862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.423862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.423862 (E_RNA) where: Base-Base interactions energy: -1037.580 where: short stacking energy: -450.696 Base-Backbone interact. energy: -1.481 local terms energy: -527.362676 where: bonds (distance) C4'-P energy: -106.242 bonds (distance) P-C4' energy: -111.009 flat angles C4'-P-C4' energy: -111.082 flat angles P-C4'-P energy: -70.507 tors. eta vs tors. theta energy: -128.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1557.682241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.682241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.682241 (E_RNA) where: Base-Base interactions energy: -1073.544 where: short stacking energy: -441.365 Base-Backbone interact. energy: -3.441 local terms energy: -480.697107 where: bonds (distance) C4'-P energy: -88.161 bonds (distance) P-C4' energy: -101.635 flat angles C4'-P-C4' energy: -109.452 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: -118.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1468.695947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.695947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.695947 (E_RNA) where: Base-Base interactions energy: -1008.523 where: short stacking energy: -428.796 Base-Backbone interact. energy: -0.134 local terms energy: -460.039380 where: bonds (distance) C4'-P energy: -90.751 bonds (distance) P-C4' energy: -74.213 flat angles C4'-P-C4' energy: -103.869 flat angles P-C4'-P energy: -70.251 tors. eta vs tors. theta energy: -120.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1238.565705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.565705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.565705 (E_RNA) where: Base-Base interactions energy: -812.942 where: short stacking energy: -363.090 Base-Backbone interact. energy: -2.122 local terms energy: -423.502038 where: bonds (distance) C4'-P energy: -82.742 bonds (distance) P-C4' energy: -96.423 flat angles C4'-P-C4' energy: -106.499 flat angles P-C4'-P energy: -58.635 tors. eta vs tors. theta energy: -79.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -824.996794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.996794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.996794 (E_RNA) where: Base-Base interactions energy: -472.143 where: short stacking energy: -215.211 Base-Backbone interact. energy: 0.478 local terms energy: -353.332569 where: bonds (distance) C4'-P energy: -69.383 bonds (distance) P-C4' energy: -90.962 flat angles C4'-P-C4' energy: -103.389 flat angles P-C4'-P energy: -46.676 tors. eta vs tors. theta energy: -42.922 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: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -515.682591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.682591 (E_RNA) where: Base-Base interactions energy: -250.101 where: short stacking energy: -148.251 Base-Backbone interact. energy: -2.224 local terms energy: -263.357973 where: bonds (distance) C4'-P energy: -84.331 bonds (distance) P-C4' energy: -82.831 flat angles C4'-P-C4' energy: -71.642 flat angles P-C4'-P energy: -37.634 tors. eta vs tors. theta energy: 13.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1917.428273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.428273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.428273 (E_RNA) where: Base-Base interactions energy: -1333.426 where: short stacking energy: -590.978 Base-Backbone interact. energy: -1.906 local terms energy: -582.096921 where: bonds (distance) C4'-P energy: -88.670 bonds (distance) P-C4' energy: -111.790 flat angles C4'-P-C4' energy: -126.211 flat angles P-C4'-P energy: -73.882 tors. eta vs tors. theta energy: -181.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1876.913706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.913706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.913706 (E_RNA) where: Base-Base interactions energy: -1300.215 where: short stacking energy: -560.359 Base-Backbone interact. energy: 1.400 local terms energy: -578.098980 where: bonds (distance) C4'-P energy: -107.512 bonds (distance) P-C4' energy: -101.138 flat angles C4'-P-C4' energy: -119.825 flat angles P-C4'-P energy: -80.568 tors. eta vs tors. theta energy: -169.056 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: 3, replica: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1740.266561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.266561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.266561 (E_RNA) where: Base-Base interactions energy: -1198.019 where: short stacking energy: -491.588 Base-Backbone interact. energy: -0.635 local terms energy: -541.612394 where: bonds (distance) C4'-P energy: -109.079 bonds (distance) P-C4' energy: -106.344 flat angles C4'-P-C4' energy: -121.248 flat angles P-C4'-P energy: -59.742 tors. eta vs tors. theta energy: -145.199 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: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1700.275713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.275713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.275713 (E_RNA) where: Base-Base interactions energy: -1184.990 where: short stacking energy: -504.752 Base-Backbone interact. energy: -2.286 local terms energy: -513.000357 where: bonds (distance) C4'-P energy: -87.861 bonds (distance) P-C4' energy: -88.588 flat angles C4'-P-C4' energy: -109.279 flat angles P-C4'-P energy: -79.946 tors. eta vs tors. theta energy: -147.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1593.320533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.320533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.320533 (E_RNA) where: Base-Base interactions energy: -1068.667 where: short stacking energy: -481.015 Base-Backbone interact. energy: -1.492 local terms energy: -523.162035 where: bonds (distance) C4'-P energy: -91.990 bonds (distance) P-C4' energy: -113.924 flat angles C4'-P-C4' energy: -119.487 flat angles P-C4'-P energy: -61.679 tors. eta vs tors. theta energy: -136.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1561.074435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.074435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.074435 (E_RNA) where: Base-Base interactions energy: -1091.269 where: short stacking energy: -462.833 Base-Backbone interact. energy: -0.031 local terms energy: -469.773966 where: bonds (distance) C4'-P energy: -88.996 bonds (distance) P-C4' energy: -83.964 flat angles C4'-P-C4' energy: -103.823 flat angles P-C4'-P energy: -72.047 tors. eta vs tors. theta energy: -120.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1402.079527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.079527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.079527 (E_RNA) where: Base-Base interactions energy: -910.512 where: short stacking energy: -401.871 Base-Backbone interact. energy: -1.539 local terms energy: -490.028945 where: bonds (distance) C4'-P energy: -97.237 bonds (distance) P-C4' energy: -96.721 flat angles C4'-P-C4' energy: -117.853 flat angles P-C4'-P energy: -71.826 tors. eta vs tors. theta energy: -106.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1260.722816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.722816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.722816 (E_RNA) where: Base-Base interactions energy: -810.095 where: short stacking energy: -362.755 Base-Backbone interact. energy: -0.395 local terms energy: -450.232973 where: bonds (distance) C4'-P energy: -103.303 bonds (distance) P-C4' energy: -93.153 flat angles C4'-P-C4' energy: -108.543 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: -88.300 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: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -829.908632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.908632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.908632 (E_RNA) where: Base-Base interactions energy: -503.758 where: short stacking energy: -224.523 Base-Backbone interact. energy: 1.846 local terms energy: -327.995842 where: bonds (distance) C4'-P energy: -76.550 bonds (distance) P-C4' energy: -93.248 flat angles C4'-P-C4' energy: -89.684 flat angles P-C4'-P energy: -38.164 tors. eta vs tors. theta energy: -30.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -480.632651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.632651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.632651 (E_RNA) where: Base-Base interactions energy: -205.123 where: short stacking energy: -154.961 Base-Backbone interact. energy: 1.675 local terms energy: -277.184572 where: bonds (distance) C4'-P energy: -73.435 bonds (distance) P-C4' energy: -79.210 flat angles C4'-P-C4' energy: -86.223 flat angles P-C4'-P energy: -33.880 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1928.395332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.395332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.395332 (E_RNA) where: Base-Base interactions energy: -1319.363 where: short stacking energy: -535.829 Base-Backbone interact. energy: -3.856 local terms energy: -605.176103 where: bonds (distance) C4'-P energy: -114.810 bonds (distance) P-C4' energy: -108.480 flat angles C4'-P-C4' energy: -127.488 flat angles P-C4'-P energy: -84.662 tors. eta vs tors. theta energy: -169.737 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: 7 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1881.082430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.082430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.082430 (E_RNA) where: Base-Base interactions energy: -1293.933 where: short stacking energy: -555.588 Base-Backbone interact. energy: -3.016 local terms energy: -584.133168 where: bonds (distance) C4'-P energy: -113.086 bonds (distance) P-C4' energy: -91.703 flat angles C4'-P-C4' energy: -127.332 flat angles P-C4'-P energy: -84.058 tors. eta vs tors. theta energy: -167.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1743.006459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.006459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.006459 (E_RNA) where: Base-Base interactions energy: -1199.427 where: short stacking energy: -508.029 Base-Backbone interact. energy: -3.830 local terms energy: -539.749796 where: bonds (distance) C4'-P energy: -101.495 bonds (distance) P-C4' energy: -91.324 flat angles C4'-P-C4' energy: -124.564 flat angles P-C4'-P energy: -64.079 tors. eta vs tors. theta energy: -158.288 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: 458 Temperature: 1.050000 Total energy: -1711.414253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.414253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.414253 (E_RNA) where: Base-Base interactions energy: -1163.466 where: short stacking energy: -516.959 Base-Backbone interact. energy: -2.211 local terms energy: -545.737070 where: bonds (distance) C4'-P energy: -92.946 bonds (distance) P-C4' energy: -97.144 flat angles C4'-P-C4' energy: -124.352 flat angles P-C4'-P energy: -83.329 tors. eta vs tors. theta energy: -147.966 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: 10 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1587.401652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.401652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.401652 (E_RNA) where: Base-Base interactions energy: -1076.723 where: short stacking energy: -460.482 Base-Backbone interact. energy: 1.578 local terms energy: -512.256448 where: bonds (distance) C4'-P energy: -103.063 bonds (distance) P-C4' energy: -101.401 flat angles C4'-P-C4' energy: -109.294 flat angles P-C4'-P energy: -69.107 tors. eta vs tors. theta energy: -129.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1524.800026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.800026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.800026 (E_RNA) where: Base-Base interactions energy: -1034.242 where: short stacking energy: -446.562 Base-Backbone interact. energy: -1.577 local terms energy: -488.981104 where: bonds (distance) C4'-P energy: -85.478 bonds (distance) P-C4' energy: -89.940 flat angles C4'-P-C4' energy: -108.673 flat angles P-C4'-P energy: -83.557 tors. eta vs tors. theta energy: -121.333 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: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1455.817765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.817765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.817765 (E_RNA) where: Base-Base interactions energy: -969.257 where: short stacking energy: -428.178 Base-Backbone interact. energy: -2.108 local terms energy: -484.453148 where: bonds (distance) C4'-P energy: -93.098 bonds (distance) P-C4' energy: -100.146 flat angles C4'-P-C4' energy: -101.146 flat angles P-C4'-P energy: -63.274 tors. eta vs tors. theta energy: -126.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1241.908599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.908599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.908599 (E_RNA) where: Base-Base interactions energy: -827.059 where: short stacking energy: -341.515 Base-Backbone interact. energy: -2.998 local terms energy: -411.851635 where: bonds (distance) C4'-P energy: -89.902 bonds (distance) P-C4' energy: -79.757 flat angles C4'-P-C4' energy: -99.796 flat angles P-C4'-P energy: -68.481 tors. eta vs tors. theta energy: -73.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -854.226398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.226398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.226398 (E_RNA) where: Base-Base interactions energy: -510.274 where: short stacking energy: -244.848 Base-Backbone interact. energy: 2.004 local terms energy: -345.956874 where: bonds (distance) C4'-P energy: -99.218 bonds (distance) P-C4' energy: -83.462 flat angles C4'-P-C4' energy: -93.737 flat angles P-C4'-P energy: -50.892 tors. eta vs tors. theta energy: -18.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -500.185234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.185234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.185234 (E_RNA) where: Base-Base interactions energy: -204.159 where: short stacking energy: -138.784 Base-Backbone interact. energy: 0.959 local terms energy: -296.985007 where: bonds (distance) C4'-P energy: -97.731 bonds (distance) P-C4' energy: -112.241 flat angles C4'-P-C4' energy: -61.998 flat angles P-C4'-P energy: -35.302 tors. eta vs tors. theta energy: 10.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1959.068673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.068673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.068673 (E_RNA) where: Base-Base interactions energy: -1346.320 where: short stacking energy: -563.710 Base-Backbone interact. energy: -3.568 local terms energy: -609.180759 where: bonds (distance) C4'-P energy: -107.592 bonds (distance) P-C4' energy: -118.648 flat angles C4'-P-C4' energy: -132.674 flat angles P-C4'-P energy: -82.048 tors. eta vs tors. theta energy: -168.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1887.301663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.301663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.301663 (E_RNA) where: Base-Base interactions energy: -1309.122 where: short stacking energy: -575.846 Base-Backbone interact. energy: -3.373 local terms energy: -574.807111 where: bonds (distance) C4'-P energy: -103.625 bonds (distance) P-C4' energy: -109.275 flat angles C4'-P-C4' energy: -119.744 flat angles P-C4'-P energy: -78.657 tors. eta vs tors. theta energy: -163.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1748.462795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.462795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.462795 (E_RNA) where: Base-Base interactions energy: -1181.807 where: short stacking energy: -528.407 Base-Backbone interact. energy: -0.908 local terms energy: -565.748215 where: bonds (distance) C4'-P energy: -96.262 bonds (distance) P-C4' energy: -120.629 flat angles C4'-P-C4' energy: -108.120 flat angles P-C4'-P energy: -81.516 tors. eta vs tors. theta energy: -159.222 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: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1704.054136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.054136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.054136 (E_RNA) where: Base-Base interactions energy: -1171.016 where: short stacking energy: -500.870 Base-Backbone interact. energy: -0.480 local terms energy: -532.558439 where: bonds (distance) C4'-P energy: -84.562 bonds (distance) P-C4' energy: -101.695 flat angles C4'-P-C4' energy: -123.097 flat angles P-C4'-P energy: -74.353 tors. eta vs tors. theta energy: -148.853 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: 5, replica: 10 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1632.718186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.718186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.718186 (E_RNA) where: Base-Base interactions energy: -1113.542 where: short stacking energy: -487.746 Base-Backbone interact. energy: 1.796 local terms energy: -520.971475 where: bonds (distance) C4'-P energy: -90.543 bonds (distance) P-C4' energy: -90.826 flat angles C4'-P-C4' energy: -119.245 flat angles P-C4'-P energy: -77.211 tors. eta vs tors. theta energy: -143.146 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: 459 Temperature: 1.150000 Total energy: -1519.811076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.811076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.811076 (E_RNA) where: Base-Base interactions energy: -1018.332 where: short stacking energy: -441.990 Base-Backbone interact. energy: -1.425 local terms energy: -500.054170 where: bonds (distance) C4'-P energy: -90.047 bonds (distance) P-C4' energy: -112.239 flat angles C4'-P-C4' energy: -105.474 flat angles P-C4'-P energy: -71.155 tors. eta vs tors. theta energy: -121.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1462.969421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.969421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.969421 (E_RNA) where: Base-Base interactions energy: -1000.687 where: short stacking energy: -421.900 Base-Backbone interact. energy: 2.010 local terms energy: -464.293146 where: bonds (distance) C4'-P energy: -91.318 bonds (distance) P-C4' energy: -79.094 flat angles C4'-P-C4' energy: -100.610 flat angles P-C4'-P energy: -81.253 tors. eta vs tors. theta energy: -112.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1278.966574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.966574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.966574 (E_RNA) where: Base-Base interactions energy: -853.390 where: short stacking energy: -350.521 Base-Backbone interact. energy: -3.407 local terms energy: -422.169910 where: bonds (distance) C4'-P energy: -81.821 bonds (distance) P-C4' energy: -87.102 flat angles C4'-P-C4' energy: -98.377 flat angles P-C4'-P energy: -53.590 tors. eta vs tors. theta energy: -101.280 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: 9 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -892.947590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.947590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.947590 (E_RNA) where: Base-Base interactions energy: -507.749 where: short stacking energy: -249.591 Base-Backbone interact. energy: -0.906 local terms energy: -384.292620 where: bonds (distance) C4'-P energy: -106.389 bonds (distance) P-C4' energy: -94.766 flat angles C4'-P-C4' energy: -86.615 flat angles P-C4'-P energy: -52.934 tors. eta vs tors. theta energy: -43.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -501.122906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.122906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.122906 (E_RNA) where: Base-Base interactions energy: -201.717 where: short stacking energy: -140.226 Base-Backbone interact. energy: -0.113 local terms energy: -299.293676 where: bonds (distance) C4'-P energy: -91.197 bonds (distance) P-C4' energy: -95.467 flat angles C4'-P-C4' energy: -82.565 flat angles P-C4'-P energy: -42.123 tors. eta vs tors. theta energy: 12.058 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: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1957.289544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.289544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.289544 (E_RNA) where: Base-Base interactions energy: -1367.511 where: short stacking energy: -590.864 Base-Backbone interact. energy: -4.746 local terms energy: -585.032705 where: bonds (distance) C4'-P energy: -100.987 bonds (distance) P-C4' energy: -101.099 flat angles C4'-P-C4' energy: -125.286 flat angles P-C4'-P energy: -83.550 tors. eta vs tors. theta energy: -174.110 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: 460 Temperature: 0.950000 Total energy: -1883.946750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.946750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.946750 (E_RNA) where: Base-Base interactions energy: -1302.038 where: short stacking energy: -560.818 Base-Backbone interact. energy: -1.908 local terms energy: -580.000491 where: bonds (distance) C4'-P energy: -98.655 bonds (distance) P-C4' energy: -104.665 flat angles C4'-P-C4' energy: -124.758 flat angles P-C4'-P energy: -77.290 tors. eta vs tors. theta energy: -174.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1751.781505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.781505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.781505 (E_RNA) where: Base-Base interactions energy: -1216.499 where: short stacking energy: -512.684 Base-Backbone interact. energy: -4.025 local terms energy: -531.257553 where: bonds (distance) C4'-P energy: -97.817 bonds (distance) P-C4' energy: -100.544 flat angles C4'-P-C4' energy: -115.763 flat angles P-C4'-P energy: -79.628 tors. eta vs tors. theta energy: -137.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1677.416852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.416852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.416852 (E_RNA) where: Base-Base interactions energy: -1150.239 where: short stacking energy: -499.634 Base-Backbone interact. energy: -0.430 local terms energy: -526.748443 where: bonds (distance) C4'-P energy: -102.060 bonds (distance) P-C4' energy: -97.055 flat angles C4'-P-C4' energy: -105.269 flat angles P-C4'-P energy: -81.984 tors. eta vs tors. theta energy: -140.380 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: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1662.467343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.467343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.467343 (E_RNA) where: Base-Base interactions energy: -1158.920 where: short stacking energy: -486.691 Base-Backbone interact. energy: 0.504 local terms energy: -504.052078 where: bonds (distance) C4'-P energy: -106.059 bonds (distance) P-C4' energy: -89.318 flat angles C4'-P-C4' energy: -104.070 flat angles P-C4'-P energy: -80.358 tors. eta vs tors. theta energy: -124.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1490.381306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.381306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.381306 (E_RNA) where: Base-Base interactions energy: -1025.249 where: short stacking energy: -409.320 Base-Backbone interact. energy: -3.142 local terms energy: -461.990291 where: bonds (distance) C4'-P energy: -82.824 bonds (distance) P-C4' energy: -93.307 flat angles C4'-P-C4' energy: -108.469 flat angles P-C4'-P energy: -58.184 tors. eta vs tors. theta energy: -119.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1422.800332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.800332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.800332 (E_RNA) where: Base-Base interactions energy: -957.337 where: short stacking energy: -401.863 Base-Backbone interact. energy: -0.960 local terms energy: -464.503730 where: bonds (distance) C4'-P energy: -98.034 bonds (distance) P-C4' energy: -96.254 flat angles C4'-P-C4' energy: -90.228 flat angles P-C4'-P energy: -74.339 tors. eta vs tors. theta energy: -105.648 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: 460 Temperature: 1.250000 Total energy: -1269.162856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.162856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.162856 (E_RNA) where: Base-Base interactions energy: -874.914 where: short stacking energy: -362.071 Base-Backbone interact. energy: -1.145 local terms energy: -393.104525 where: bonds (distance) C4'-P energy: -86.479 bonds (distance) P-C4' energy: -84.403 flat angles C4'-P-C4' energy: -82.725 flat angles P-C4'-P energy: -62.033 tors. eta vs tors. theta energy: -77.465 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: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -828.014761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.014761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.014761 (E_RNA) where: Base-Base interactions energy: -486.830 where: short stacking energy: -232.328 Base-Backbone interact. energy: -0.850 local terms energy: -340.334947 where: bonds (distance) C4'-P energy: -76.216 bonds (distance) P-C4' energy: -82.838 flat angles C4'-P-C4' energy: -93.338 flat angles P-C4'-P energy: -56.953 tors. eta vs tors. theta energy: -30.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -487.283503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.283503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.283503 (E_RNA) where: Base-Base interactions energy: -239.577 where: short stacking energy: -132.539 Base-Backbone interact. energy: 3.345 local terms energy: -251.051718 where: bonds (distance) C4'-P energy: -72.092 bonds (distance) P-C4' energy: -87.052 flat angles C4'-P-C4' energy: -70.866 flat angles P-C4'-P energy: -40.040 tors. eta vs tors. theta energy: 18.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1955.045151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.045151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.045151 (E_RNA) where: Base-Base interactions energy: -1347.926 where: short stacking energy: -583.449 Base-Backbone interact. energy: 1.340 local terms energy: -608.458973 where: bonds (distance) C4'-P energy: -110.216 bonds (distance) P-C4' energy: -106.426 flat angles C4'-P-C4' energy: -130.989 flat angles P-C4'-P energy: -85.233 tors. eta vs tors. theta energy: -175.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1860.808995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.808995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.808995 (E_RNA) where: Base-Base interactions energy: -1256.763 where: short stacking energy: -549.163 Base-Backbone interact. energy: -2.286 local terms energy: -601.760422 where: bonds (distance) C4'-P energy: -113.326 bonds (distance) P-C4' energy: -107.936 flat angles C4'-P-C4' energy: -114.275 flat angles P-C4'-P energy: -96.182 tors. eta vs tors. theta energy: -170.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1767.782193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.782193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.782193 (E_RNA) where: Base-Base interactions energy: -1204.273 where: short stacking energy: -523.279 Base-Backbone interact. energy: -2.881 local terms energy: -560.627903 where: bonds (distance) C4'-P energy: -102.471 bonds (distance) P-C4' energy: -110.516 flat angles C4'-P-C4' energy: -119.421 flat angles P-C4'-P energy: -75.373 tors. eta vs tors. theta energy: -152.847 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: 461 Temperature: 1.050000 Total energy: -1683.932272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.932272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.932272 (E_RNA) where: Base-Base interactions energy: -1139.664 where: short stacking energy: -518.812 Base-Backbone interact. energy: -3.718 local terms energy: -540.550493 where: bonds (distance) C4'-P energy: -90.707 bonds (distance) P-C4' energy: -91.983 flat angles C4'-P-C4' energy: -118.530 flat angles P-C4'-P energy: -92.246 tors. eta vs tors. theta energy: -147.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1697.857692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.857692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.857692 (E_RNA) where: Base-Base interactions energy: -1178.538 where: short stacking energy: -501.547 Base-Backbone interact. energy: 0.592 local terms energy: -519.912020 where: bonds (distance) C4'-P energy: -86.696 bonds (distance) P-C4' energy: -99.674 flat angles C4'-P-C4' energy: -107.971 flat angles P-C4'-P energy: -73.862 tors. eta vs tors. theta energy: -151.709 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: 6 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1552.200449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.200449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.200449 (E_RNA) where: Base-Base interactions energy: -1050.794 where: short stacking energy: -463.039 Base-Backbone interact. energy: -1.935 local terms energy: -499.471270 where: bonds (distance) C4'-P energy: -84.700 bonds (distance) P-C4' energy: -103.906 flat angles C4'-P-C4' energy: -94.931 flat angles P-C4'-P energy: -74.988 tors. eta vs tors. theta energy: -140.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1459.135226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.135226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.135226 (E_RNA) where: Base-Base interactions energy: -988.219 where: short stacking energy: -420.197 Base-Backbone interact. energy: 3.371 local terms energy: -474.287937 where: bonds (distance) C4'-P energy: -94.437 bonds (distance) P-C4' energy: -92.332 flat angles C4'-P-C4' energy: -102.281 flat angles P-C4'-P energy: -62.789 tors. eta vs tors. theta energy: -122.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1216.870818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.870818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.870818 (E_RNA) where: Base-Base interactions energy: -807.640 where: short stacking energy: -358.796 Base-Backbone interact. energy: 1.648 local terms energy: -410.878821 where: bonds (distance) C4'-P energy: -76.589 bonds (distance) P-C4' energy: -94.343 flat angles C4'-P-C4' energy: -102.030 flat angles P-C4'-P energy: -47.964 tors. eta vs tors. theta energy: -89.952 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: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -824.883230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.883230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.883230 (E_RNA) where: Base-Base interactions energy: -476.531 where: short stacking energy: -242.989 Base-Backbone interact. energy: 0.094 local terms energy: -348.446536 where: bonds (distance) C4'-P energy: -99.781 bonds (distance) P-C4' energy: -84.057 flat angles C4'-P-C4' energy: -96.296 flat angles P-C4'-P energy: -28.536 tors. eta vs tors. theta energy: -39.777 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: 8 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -539.460215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.460215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.460215 (E_RNA) where: Base-Base interactions energy: -259.589 where: short stacking energy: -141.177 Base-Backbone interact. energy: -0.686 local terms energy: -279.184690 where: bonds (distance) C4'-P energy: -75.351 bonds (distance) P-C4' energy: -87.951 flat angles C4'-P-C4' energy: -78.271 flat angles P-C4'-P energy: -60.198 tors. eta vs tors. theta energy: 22.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1930.132830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.132830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.132830 (E_RNA) where: Base-Base interactions energy: -1325.844 where: short stacking energy: -570.168 Base-Backbone interact. energy: -2.537 local terms energy: -601.752384 where: bonds (distance) C4'-P energy: -104.570 bonds (distance) P-C4' energy: -120.779 flat angles C4'-P-C4' energy: -132.950 flat angles P-C4'-P energy: -70.661 tors. eta vs tors. theta energy: -172.792 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: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1863.229215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.229215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.229215 (E_RNA) where: Base-Base interactions energy: -1294.566 where: short stacking energy: -555.547 Base-Backbone interact. energy: -3.103 local terms energy: -565.559923 where: bonds (distance) C4'-P energy: -105.448 bonds (distance) P-C4' energy: -101.818 flat angles C4'-P-C4' energy: -118.806 flat angles P-C4'-P energy: -85.003 tors. eta vs tors. theta energy: -154.485 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: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1759.120875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.120875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.120875 (E_RNA) where: Base-Base interactions energy: -1214.250 where: short stacking energy: -491.346 Base-Backbone interact. energy: -4.397 local terms energy: -540.474386 where: bonds (distance) C4'-P energy: -95.195 bonds (distance) P-C4' energy: -103.466 flat angles C4'-P-C4' energy: -122.817 flat angles P-C4'-P energy: -79.497 tors. eta vs tors. theta energy: -139.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1669.138976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.138976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.138976 (E_RNA) where: Base-Base interactions energy: -1113.169 where: short stacking energy: -482.121 Base-Backbone interact. energy: -2.888 local terms energy: -553.081344 where: bonds (distance) C4'-P energy: -106.210 bonds (distance) P-C4' energy: -101.132 flat angles C4'-P-C4' energy: -117.331 flat angles P-C4'-P energy: -86.477 tors. eta vs tors. theta energy: -141.932 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: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1730.242681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.242681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.242681 (E_RNA) where: Base-Base interactions energy: -1181.079 where: short stacking energy: -499.316 Base-Backbone interact. energy: -3.074 local terms energy: -546.089365 where: bonds (distance) C4'-P energy: -106.564 bonds (distance) P-C4' energy: -93.999 flat angles C4'-P-C4' energy: -113.987 flat angles P-C4'-P energy: -81.251 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: 6, replica: 6 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1545.942287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.942287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.942287 (E_RNA) where: Base-Base interactions energy: -1069.266 where: short stacking energy: -475.871 Base-Backbone interact. energy: -1.290 local terms energy: -475.386374 where: bonds (distance) C4'-P energy: -74.448 bonds (distance) P-C4' energy: -82.650 flat angles C4'-P-C4' energy: -112.134 flat angles P-C4'-P energy: -68.311 tors. eta vs tors. theta energy: -137.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1473.628420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.628420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.628420 (E_RNA) where: Base-Base interactions energy: -1006.559 where: short stacking energy: -420.822 Base-Backbone interact. energy: -1.285 local terms energy: -465.784263 where: bonds (distance) C4'-P energy: -95.931 bonds (distance) P-C4' energy: -80.112 flat angles C4'-P-C4' energy: -104.088 flat angles P-C4'-P energy: -71.550 tors. eta vs tors. theta energy: -114.104 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: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1167.198495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.198495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.198495 (E_RNA) where: Base-Base interactions energy: -787.928 where: short stacking energy: -331.119 Base-Backbone interact. energy: -2.523 local terms energy: -376.748098 where: bonds (distance) C4'-P energy: -75.488 bonds (distance) P-C4' energy: -96.121 flat angles C4'-P-C4' energy: -75.126 flat angles P-C4'-P energy: -70.280 tors. eta vs tors. theta energy: -59.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -822.197459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.197459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.197459 (E_RNA) where: Base-Base interactions energy: -467.961 where: short stacking energy: -221.979 Base-Backbone interact. energy: -0.131 local terms energy: -354.106026 where: bonds (distance) C4'-P energy: -89.594 bonds (distance) P-C4' energy: -97.668 flat angles C4'-P-C4' energy: -86.713 flat angles P-C4'-P energy: -54.273 tors. eta vs tors. theta energy: -25.858 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: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -502.952618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.952618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.952618 (E_RNA) where: Base-Base interactions energy: -212.433 where: short stacking energy: -158.613 Base-Backbone interact. energy: -2.543 local terms energy: -287.976277 where: bonds (distance) C4'-P energy: -76.471 bonds (distance) P-C4' energy: -88.001 flat angles C4'-P-C4' energy: -84.088 flat angles P-C4'-P energy: -42.219 tors. eta vs tors. theta energy: 2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1933.027296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.027296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.027296 (E_RNA) where: Base-Base interactions energy: -1342.017 where: short stacking energy: -570.850 Base-Backbone interact. energy: 0.943 local terms energy: -591.952755 where: bonds (distance) C4'-P energy: -106.050 bonds (distance) P-C4' energy: -102.406 flat angles C4'-P-C4' energy: -125.011 flat angles P-C4'-P energy: -85.305 tors. eta vs tors. theta energy: -173.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1861.811420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.811420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.811420 (E_RNA) where: Base-Base interactions energy: -1280.701 where: short stacking energy: -553.498 Base-Backbone interact. energy: -0.619 local terms energy: -580.491073 where: bonds (distance) C4'-P energy: -104.179 bonds (distance) P-C4' energy: -101.663 flat angles C4'-P-C4' energy: -128.088 flat angles P-C4'-P energy: -78.855 tors. eta vs tors. theta energy: -167.706 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: 3 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1735.975594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.975594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.975594 (E_RNA) where: Base-Base interactions energy: -1186.821 where: short stacking energy: -516.404 Base-Backbone interact. energy: -1.174 local terms energy: -547.981070 where: bonds (distance) C4'-P energy: -103.725 bonds (distance) P-C4' energy: -98.259 flat angles C4'-P-C4' energy: -116.591 flat angles P-C4'-P energy: -82.523 tors. eta vs tors. theta energy: -146.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1687.365112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.365112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.365112 (E_RNA) where: Base-Base interactions energy: -1137.834 where: short stacking energy: -468.006 Base-Backbone interact. energy: -3.653 local terms energy: -545.878023 where: bonds (distance) C4'-P energy: -116.613 bonds (distance) P-C4' energy: -103.321 flat angles C4'-P-C4' energy: -115.138 flat angles P-C4'-P energy: -69.282 tors. eta vs tors. theta energy: -141.524 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: 463 Temperature: 1.100000 Total energy: -1681.216856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.216856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.216856 (E_RNA) where: Base-Base interactions energy: -1143.031 where: short stacking energy: -498.505 Base-Backbone interact. energy: 1.721 local terms energy: -539.906447 where: bonds (distance) C4'-P energy: -91.497 bonds (distance) P-C4' energy: -115.321 flat angles C4'-P-C4' energy: -113.852 flat angles P-C4'-P energy: -79.491 tors. eta vs tors. theta energy: -139.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1525.165217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.165217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.165217 (E_RNA) where: Base-Base interactions energy: -1014.364 where: short stacking energy: -438.587 Base-Backbone interact. energy: -3.701 local terms energy: -507.100334 where: bonds (distance) C4'-P energy: -100.832 bonds (distance) P-C4' energy: -103.982 flat angles C4'-P-C4' energy: -106.016 flat angles P-C4'-P energy: -73.906 tors. eta vs tors. theta energy: -122.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1454.085720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.085720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.085720 (E_RNA) where: Base-Base interactions energy: -990.033 where: short stacking energy: -414.522 Base-Backbone interact. energy: 1.183 local terms energy: -465.235743 where: bonds (distance) C4'-P energy: -96.500 bonds (distance) P-C4' energy: -108.954 flat angles C4'-P-C4' energy: -103.862 flat angles P-C4'-P energy: -61.283 tors. eta vs tors. theta energy: -94.636 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: 463 Temperature: 1.250000 Total energy: -1130.666241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.666241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.666241 (E_RNA) where: Base-Base interactions energy: -730.313 where: short stacking energy: -315.583 Base-Backbone interact. energy: -1.698 local terms energy: -398.655261 where: bonds (distance) C4'-P energy: -81.030 bonds (distance) P-C4' energy: -93.377 flat angles C4'-P-C4' energy: -96.122 flat angles P-C4'-P energy: -61.717 tors. eta vs tors. theta energy: -66.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -796.575990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.575990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.575990 (E_RNA) where: Base-Base interactions energy: -433.421 where: short stacking energy: -208.152 Base-Backbone interact. energy: 0.920 local terms energy: -364.074877 where: bonds (distance) C4'-P energy: -97.492 bonds (distance) P-C4' energy: -90.958 flat angles C4'-P-C4' energy: -89.030 flat angles P-C4'-P energy: -60.738 tors. eta vs tors. theta energy: -25.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -489.703090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.703090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.703090 (E_RNA) where: Base-Base interactions energy: -210.115 where: short stacking energy: -155.660 Base-Backbone interact. energy: 0.611 local terms energy: -280.199059 where: bonds (distance) C4'-P energy: -70.974 bonds (distance) P-C4' energy: -95.130 flat angles C4'-P-C4' energy: -66.807 flat angles P-C4'-P energy: -56.615 tors. eta vs tors. theta energy: 9.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1946.850044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.850044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.850044 (E_RNA) where: Base-Base interactions energy: -1333.600 where: short stacking energy: -578.403 Base-Backbone interact. energy: -2.993 local terms energy: -610.257466 where: bonds (distance) C4'-P energy: -111.649 bonds (distance) P-C4' energy: -109.648 flat angles C4'-P-C4' energy: -126.901 flat angles P-C4'-P energy: -91.521 tors. eta vs tors. theta energy: -170.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1884.843892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.843892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.843892 (E_RNA) where: Base-Base interactions energy: -1283.834 where: short stacking energy: -568.936 Base-Backbone interact. energy: -3.646 local terms energy: -597.364726 where: bonds (distance) C4'-P energy: -104.154 bonds (distance) P-C4' energy: -107.299 flat angles C4'-P-C4' energy: -124.668 flat angles P-C4'-P energy: -87.371 tors. eta vs tors. theta energy: -173.872 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: 3, replica: 3 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1735.515573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.515573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.515573 (E_RNA) where: Base-Base interactions energy: -1161.903 where: short stacking energy: -493.777 Base-Backbone interact. energy: -3.971 local terms energy: -569.641477 where: bonds (distance) C4'-P energy: -94.509 bonds (distance) P-C4' energy: -113.191 flat angles C4'-P-C4' energy: -123.968 flat angles P-C4'-P energy: -87.384 tors. eta vs tors. theta energy: -150.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1715.787779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.787779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.787779 (E_RNA) where: Base-Base interactions energy: -1182.435 where: short stacking energy: -507.161 Base-Backbone interact. energy: 0.521 local terms energy: -533.872823 where: bonds (distance) C4'-P energy: -97.560 bonds (distance) P-C4' energy: -89.392 flat angles C4'-P-C4' energy: -124.092 flat angles P-C4'-P energy: -76.614 tors. eta vs tors. theta energy: -146.215 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: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1639.349733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.349733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.349733 (E_RNA) where: Base-Base interactions energy: -1140.028 where: short stacking energy: -492.943 Base-Backbone interact. energy: -0.976 local terms energy: -498.345948 where: bonds (distance) C4'-P energy: -89.582 bonds (distance) P-C4' energy: -95.343 flat angles C4'-P-C4' energy: -101.138 flat angles P-C4'-P energy: -74.579 tors. eta vs tors. theta energy: -137.705 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: 464 Temperature: 1.150000 Total energy: -1528.503550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.503550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.503550 (E_RNA) where: Base-Base interactions energy: -1050.519 where: short stacking energy: -449.914 Base-Backbone interact. energy: 1.684 local terms energy: -479.667873 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -100.835 flat angles C4'-P-C4' energy: -110.688 flat angles P-C4'-P energy: -62.706 tors. eta vs tors. theta energy: -120.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1446.608019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.608019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.608019 (E_RNA) where: Base-Base interactions energy: -989.490 where: short stacking energy: -422.253 Base-Backbone interact. energy: -0.867 local terms energy: -456.251766 where: bonds (distance) C4'-P energy: -78.461 bonds (distance) P-C4' energy: -99.149 flat angles C4'-P-C4' energy: -104.485 flat angles P-C4'-P energy: -66.266 tors. eta vs tors. theta energy: -107.892 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: 8, replica: 1 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1143.356436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.356436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.356436 (E_RNA) where: Base-Base interactions energy: -730.293 where: short stacking energy: -323.530 Base-Backbone interact. energy: 1.534 local terms energy: -414.596781 where: bonds (distance) C4'-P energy: -110.516 bonds (distance) P-C4' energy: -85.511 flat angles C4'-P-C4' energy: -90.528 flat angles P-C4'-P energy: -65.689 tors. eta vs tors. theta energy: -62.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -823.799303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.799303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.799303 (E_RNA) where: Base-Base interactions energy: -487.609 where: short stacking energy: -237.909 Base-Backbone interact. energy: -0.911 local terms energy: -335.279342 where: bonds (distance) C4'-P energy: -87.894 bonds (distance) P-C4' energy: -87.202 flat angles C4'-P-C4' energy: -82.411 flat angles P-C4'-P energy: -63.436 tors. eta vs tors. theta energy: -14.336 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: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -478.329723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.329723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.329723 (E_RNA) where: Base-Base interactions energy: -226.131 where: short stacking energy: -137.606 Base-Backbone interact. energy: 12.034 local terms energy: -264.232830 where: bonds (distance) C4'-P energy: -82.874 bonds (distance) P-C4' energy: -88.530 flat angles C4'-P-C4' energy: -79.148 flat angles P-C4'-P energy: -23.224 tors. eta vs tors. theta energy: 9.542 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: 7 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1903.209812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.209812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.209812 (E_RNA) where: Base-Base interactions energy: -1330.745 where: short stacking energy: -549.278 Base-Backbone interact. energy: -2.560 local terms energy: -569.904353 where: bonds (distance) C4'-P energy: -103.173 bonds (distance) P-C4' energy: -110.393 flat angles C4'-P-C4' energy: -117.996 flat angles P-C4'-P energy: -82.258 tors. eta vs tors. theta energy: -156.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1882.504894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.504894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.504894 (E_RNA) where: Base-Base interactions energy: -1285.398 where: short stacking energy: -558.335 Base-Backbone interact. energy: -0.627 local terms energy: -596.479722 where: bonds (distance) C4'-P energy: -107.995 bonds (distance) P-C4' energy: -104.472 flat angles C4'-P-C4' energy: -119.148 flat angles P-C4'-P energy: -90.897 tors. eta vs tors. theta energy: -173.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1780.861943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.861943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.861943 (E_RNA) where: Base-Base interactions energy: -1212.156 where: short stacking energy: -515.182 Base-Backbone interact. energy: -1.813 local terms energy: -566.893636 where: bonds (distance) C4'-P energy: -96.892 bonds (distance) P-C4' energy: -114.651 flat angles C4'-P-C4' energy: -114.410 flat angles P-C4'-P energy: -91.375 tors. eta vs tors. theta energy: -149.566 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: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1685.607636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.607636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.607636 (E_RNA) where: Base-Base interactions energy: -1162.209 where: short stacking energy: -476.012 Base-Backbone interact. energy: -3.770 local terms energy: -519.628372 where: bonds (distance) C4'-P energy: -95.357 bonds (distance) P-C4' energy: -105.804 flat angles C4'-P-C4' energy: -110.194 flat angles P-C4'-P energy: -77.243 tors. eta vs tors. theta energy: -131.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1687.856519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.856519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.856519 (E_RNA) where: Base-Base interactions energy: -1136.627 where: short stacking energy: -495.288 Base-Backbone interact. energy: 0.828 local terms energy: -552.057353 where: bonds (distance) C4'-P energy: -102.484 bonds (distance) P-C4' energy: -97.472 flat angles C4'-P-C4' energy: -114.898 flat angles P-C4'-P energy: -81.966 tors. eta vs tors. theta energy: -155.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1505.499774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.499774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.499774 (E_RNA) where: Base-Base interactions energy: -1028.367 where: short stacking energy: -442.489 Base-Backbone interact. energy: -1.669 local terms energy: -475.463437 where: bonds (distance) C4'-P energy: -92.420 bonds (distance) P-C4' energy: -97.354 flat angles C4'-P-C4' energy: -101.821 flat angles P-C4'-P energy: -60.084 tors. eta vs tors. theta energy: -123.784 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: 7, replica: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1446.720002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.720002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.720002 (E_RNA) where: Base-Base interactions energy: -983.688 where: short stacking energy: -420.973 Base-Backbone interact. energy: -2.223 local terms energy: -460.808441 where: bonds (distance) C4'-P energy: -96.893 bonds (distance) P-C4' energy: -79.278 flat angles C4'-P-C4' energy: -102.019 flat angles P-C4'-P energy: -64.445 tors. eta vs tors. theta energy: -118.174 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: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1136.285551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.285551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.285551 (E_RNA) where: Base-Base interactions energy: -714.322 where: short stacking energy: -325.827 Base-Backbone interact. energy: 0.505 local terms energy: -422.468149 where: bonds (distance) C4'-P energy: -87.491 bonds (distance) P-C4' energy: -98.383 flat angles C4'-P-C4' energy: -93.034 flat angles P-C4'-P energy: -65.170 tors. eta vs tors. theta energy: -78.391 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: 465 Temperature: 1.300000 Total energy: -790.690565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.690565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.690565 (E_RNA) where: Base-Base interactions energy: -473.743 where: short stacking energy: -224.065 Base-Backbone interact. energy: -2.436 local terms energy: -314.511456 where: bonds (distance) C4'-P energy: -68.750 bonds (distance) P-C4' energy: -93.981 flat angles C4'-P-C4' energy: -84.160 flat angles P-C4'-P energy: -37.514 tors. eta vs tors. theta energy: -30.107 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: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -531.697609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.697609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.697609 (E_RNA) where: Base-Base interactions energy: -245.685 where: short stacking energy: -147.045 Base-Backbone interact. energy: 2.376 local terms energy: -288.389351 where: bonds (distance) C4'-P energy: -82.849 bonds (distance) P-C4' energy: -104.975 flat angles C4'-P-C4' energy: -77.378 flat angles P-C4'-P energy: -40.880 tors. eta vs tors. theta energy: 17.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1934.393257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.393257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.393257 (E_RNA) where: Base-Base interactions energy: -1343.249 where: short stacking energy: -566.423 Base-Backbone interact. energy: -0.507 local terms energy: -590.636478 where: bonds (distance) C4'-P energy: -110.353 bonds (distance) P-C4' energy: -106.990 flat angles C4'-P-C4' energy: -123.367 flat angles P-C4'-P energy: -86.847 tors. eta vs tors. theta energy: -163.080 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: 2, replica: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1890.696168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.696168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.696168 (E_RNA) where: Base-Base interactions energy: -1301.725 where: short stacking energy: -569.188 Base-Backbone interact. energy: -3.043 local terms energy: -585.927650 where: bonds (distance) C4'-P energy: -111.359 bonds (distance) P-C4' energy: -104.825 flat angles C4'-P-C4' energy: -118.442 flat angles P-C4'-P energy: -75.520 tors. eta vs tors. theta energy: -175.782 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: 3 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1745.716132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.716132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.716132 (E_RNA) where: Base-Base interactions energy: -1218.516 where: short stacking energy: -524.453 Base-Backbone interact. energy: -1.883 local terms energy: -525.317298 where: bonds (distance) C4'-P energy: -82.747 bonds (distance) P-C4' energy: -105.008 flat angles C4'-P-C4' energy: -110.879 flat angles P-C4'-P energy: -71.089 tors. eta vs tors. theta energy: -155.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1641.635066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.635066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.635066 (E_RNA) where: Base-Base interactions energy: -1138.498 where: short stacking energy: -501.670 Base-Backbone interact. energy: -1.983 local terms energy: -501.154895 where: bonds (distance) C4'-P energy: -97.470 bonds (distance) P-C4' energy: -97.794 flat angles C4'-P-C4' energy: -108.562 flat angles P-C4'-P energy: -62.277 tors. eta vs tors. theta energy: -135.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1697.430443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.430443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.430443 (E_RNA) where: Base-Base interactions energy: -1177.231 where: short stacking energy: -490.135 Base-Backbone interact. energy: -1.297 local terms energy: -518.902214 where: bonds (distance) C4'-P energy: -92.378 bonds (distance) P-C4' energy: -83.939 flat angles C4'-P-C4' energy: -116.191 flat angles P-C4'-P energy: -71.933 tors. eta vs tors. theta energy: -154.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1488.212788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.212788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.212788 (E_RNA) where: Base-Base interactions energy: -1001.778 where: short stacking energy: -439.623 Base-Backbone interact. energy: -2.757 local terms energy: -483.678138 where: bonds (distance) C4'-P energy: -85.910 bonds (distance) P-C4' energy: -96.014 flat angles C4'-P-C4' energy: -116.215 flat angles P-C4'-P energy: -75.066 tors. eta vs tors. theta energy: -110.474 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: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1494.255372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.255372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.255372 (E_RNA) where: Base-Base interactions energy: -1034.308 where: short stacking energy: -434.750 Base-Backbone interact. energy: -1.255 local terms energy: -458.691812 where: bonds (distance) C4'-P energy: -101.260 bonds (distance) P-C4' energy: -95.627 flat angles C4'-P-C4' energy: -91.719 flat angles P-C4'-P energy: -53.338 tors. eta vs tors. theta energy: -116.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1116.041334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.041334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.041334 (E_RNA) where: Base-Base interactions energy: -723.436 where: short stacking energy: -308.228 Base-Backbone interact. energy: -0.497 local terms energy: -392.108965 where: bonds (distance) C4'-P energy: -76.208 bonds (distance) P-C4' energy: -96.263 flat angles C4'-P-C4' energy: -86.130 flat angles P-C4'-P energy: -62.092 tors. eta vs tors. theta energy: -71.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -828.737954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.737954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.737954 (E_RNA) where: Base-Base interactions energy: -494.421 where: short stacking energy: -237.601 Base-Backbone interact. energy: 1.965 local terms energy: -336.281463 where: bonds (distance) C4'-P energy: -88.669 bonds (distance) P-C4' energy: -92.565 flat angles C4'-P-C4' energy: -96.623 flat angles P-C4'-P energy: -33.939 tors. eta vs tors. theta energy: -24.485 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: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -520.982817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.982817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.982817 (E_RNA) where: Base-Base interactions energy: -248.968 where: short stacking energy: -149.660 Base-Backbone interact. energy: -1.831 local terms energy: -270.184324 where: bonds (distance) C4'-P energy: -74.965 bonds (distance) P-C4' energy: -99.098 flat angles C4'-P-C4' energy: -73.190 flat angles P-C4'-P energy: -36.505 tors. eta vs tors. theta energy: 13.573 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: 7 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1928.141779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.141779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.141779 (E_RNA) where: Base-Base interactions energy: -1331.651 where: short stacking energy: -544.124 Base-Backbone interact. energy: -3.056 local terms energy: -593.434765 where: bonds (distance) C4'-P energy: -117.903 bonds (distance) P-C4' energy: -105.451 flat angles C4'-P-C4' energy: -123.260 flat angles P-C4'-P energy: -87.075 tors. eta vs tors. theta energy: -159.746 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: 5 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1894.981830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.981830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.981830 (E_RNA) where: Base-Base interactions energy: -1312.026 where: short stacking energy: -574.424 Base-Backbone interact. energy: -2.421 local terms energy: -580.534828 where: bonds (distance) C4'-P energy: -104.769 bonds (distance) P-C4' energy: -100.294 flat angles C4'-P-C4' energy: -124.538 flat angles P-C4'-P energy: -72.828 tors. eta vs tors. theta energy: -178.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1781.190064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.190064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.190064 (E_RNA) where: Base-Base interactions energy: -1214.344 where: short stacking energy: -505.721 Base-Backbone interact. energy: -5.425 local terms energy: -561.421085 where: bonds (distance) C4'-P energy: -84.887 bonds (distance) P-C4' energy: -111.455 flat angles C4'-P-C4' energy: -113.236 flat angles P-C4'-P energy: -95.275 tors. eta vs tors. theta energy: -156.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1719.642408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.642408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.642408 (E_RNA) where: Base-Base interactions energy: -1170.508 where: short stacking energy: -521.136 Base-Backbone interact. energy: -0.378 local terms energy: -548.755810 where: bonds (distance) C4'-P energy: -104.014 bonds (distance) P-C4' energy: -107.631 flat angles C4'-P-C4' energy: -109.433 flat angles P-C4'-P energy: -75.105 tors. eta vs tors. theta energy: -152.573 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: 2 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1610.293600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.293600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.293600 (E_RNA) where: Base-Base interactions energy: -1108.746 where: short stacking energy: -479.125 Base-Backbone interact. energy: 0.187 local terms energy: -501.734186 where: bonds (distance) C4'-P energy: -87.247 bonds (distance) P-C4' energy: -90.498 flat angles C4'-P-C4' energy: -115.532 flat angles P-C4'-P energy: -81.206 tors. eta vs tors. theta energy: -127.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1549.452691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.452691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.452691 (E_RNA) where: Base-Base interactions energy: -1063.002 where: short stacking energy: -462.148 Base-Backbone interact. energy: -2.726 local terms energy: -483.725069 where: bonds (distance) C4'-P energy: -81.006 bonds (distance) P-C4' energy: -89.743 flat angles C4'-P-C4' energy: -112.977 flat angles P-C4'-P energy: -76.185 tors. eta vs tors. theta energy: -123.814 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: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1463.600566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.600566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.600566 (E_RNA) where: Base-Base interactions energy: -989.976 where: short stacking energy: -417.511 Base-Backbone interact. energy: -1.356 local terms energy: -472.267736 where: bonds (distance) C4'-P energy: -92.465 bonds (distance) P-C4' energy: -91.952 flat angles C4'-P-C4' energy: -102.114 flat angles P-C4'-P energy: -75.555 tors. eta vs tors. theta energy: -110.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1119.785290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.785290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.785290 (E_RNA) where: Base-Base interactions energy: -730.016 where: short stacking energy: -315.009 Base-Backbone interact. energy: 0.695 local terms energy: -390.464383 where: bonds (distance) C4'-P energy: -95.396 bonds (distance) P-C4' energy: -88.073 flat angles C4'-P-C4' energy: -94.657 flat angles P-C4'-P energy: -50.037 tors. eta vs tors. theta energy: -62.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -835.038330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.038330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.038330 (E_RNA) where: Base-Base interactions energy: -484.617 where: short stacking energy: -256.122 Base-Backbone interact. energy: -1.846 local terms energy: -348.575701 where: bonds (distance) C4'-P energy: -86.901 bonds (distance) P-C4' energy: -94.497 flat angles C4'-P-C4' energy: -76.460 flat angles P-C4'-P energy: -52.882 tors. eta vs tors. theta energy: -37.835 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: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -486.421109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.421109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.421109 (E_RNA) where: Base-Base interactions energy: -204.778 where: short stacking energy: -136.751 Base-Backbone interact. energy: -1.968 local terms energy: -279.674373 where: bonds (distance) C4'-P energy: -88.232 bonds (distance) P-C4' energy: -102.733 flat angles C4'-P-C4' energy: -72.540 flat angles P-C4'-P energy: -26.216 tors. eta vs tors. theta energy: 10.047 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: 7 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1938.514300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.514300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.514300 (E_RNA) where: Base-Base interactions energy: -1343.031 where: short stacking energy: -570.274 Base-Backbone interact. energy: -4.133 local terms energy: -591.349969 where: bonds (distance) C4'-P energy: -101.450 bonds (distance) P-C4' energy: -106.050 flat angles C4'-P-C4' energy: -126.075 flat angles P-C4'-P energy: -89.098 tors. eta vs tors. theta energy: -168.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1864.051724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.051724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.051724 (E_RNA) where: Base-Base interactions energy: -1285.331 where: short stacking energy: -545.734 Base-Backbone interact. energy: -2.540 local terms energy: -576.180907 where: bonds (distance) C4'-P energy: -109.241 bonds (distance) P-C4' energy: -97.969 flat angles C4'-P-C4' energy: -113.113 flat angles P-C4'-P energy: -85.921 tors. eta vs tors. theta energy: -169.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1792.657595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.657595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.657595 (E_RNA) where: Base-Base interactions energy: -1229.584 where: short stacking energy: -512.913 Base-Backbone interact. energy: -1.291 local terms energy: -561.782913 where: bonds (distance) C4'-P energy: -111.666 bonds (distance) P-C4' energy: -106.833 flat angles C4'-P-C4' energy: -114.700 flat angles P-C4'-P energy: -80.112 tors. eta vs tors. theta energy: -148.471 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: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1739.656593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.656593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.656593 (E_RNA) where: Base-Base interactions energy: -1209.386 where: short stacking energy: -526.707 Base-Backbone interact. energy: -3.660 local terms energy: -526.610576 where: bonds (distance) C4'-P energy: -80.301 bonds (distance) P-C4' energy: -108.453 flat angles C4'-P-C4' energy: -115.225 flat angles P-C4'-P energy: -65.844 tors. eta vs tors. theta energy: -156.787 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: 5, replica: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1629.052454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.052454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.052454 (E_RNA) where: Base-Base interactions energy: -1121.862 where: short stacking energy: -483.947 Base-Backbone interact. energy: -1.580 local terms energy: -505.609605 where: bonds (distance) C4'-P energy: -85.503 bonds (distance) P-C4' energy: -107.457 flat angles C4'-P-C4' energy: -112.505 flat angles P-C4'-P energy: -68.157 tors. eta vs tors. theta energy: -131.989 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: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1550.750599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.750599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.750599 (E_RNA) where: Base-Base interactions energy: -1075.738 where: short stacking energy: -462.496 Base-Backbone interact. energy: -2.471 local terms energy: -472.541568 where: bonds (distance) C4'-P energy: -88.991 bonds (distance) P-C4' energy: -92.886 flat angles C4'-P-C4' energy: -101.375 flat angles P-C4'-P energy: -70.343 tors. eta vs tors. theta energy: -118.947 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: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1428.906897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.906897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.906897 (E_RNA) where: Base-Base interactions energy: -996.966 where: short stacking energy: -397.868 Base-Backbone interact. energy: -1.746 local terms energy: -430.194533 where: bonds (distance) C4'-P energy: -87.154 bonds (distance) P-C4' energy: -87.188 flat angles C4'-P-C4' energy: -103.810 flat angles P-C4'-P energy: -54.509 tors. eta vs tors. theta energy: -97.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1122.796068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.796068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.796068 (E_RNA) where: Base-Base interactions energy: -718.928 where: short stacking energy: -310.655 Base-Backbone interact. energy: -3.005 local terms energy: -400.862290 where: bonds (distance) C4'-P energy: -95.179 bonds (distance) P-C4' energy: -86.741 flat angles C4'-P-C4' energy: -91.451 flat angles P-C4'-P energy: -53.889 tors. eta vs tors. theta energy: -73.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -802.709011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.709011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.709011 (E_RNA) where: Base-Base interactions energy: -477.789 where: short stacking energy: -220.500 Base-Backbone interact. energy: -0.519 local terms energy: -324.400562 where: bonds (distance) C4'-P energy: -86.441 bonds (distance) P-C4' energy: -76.311 flat angles C4'-P-C4' energy: -86.897 flat angles P-C4'-P energy: -56.667 tors. eta vs tors. theta energy: -18.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -516.936367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.936367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.936367 (E_RNA) where: Base-Base interactions energy: -228.745 where: short stacking energy: -145.989 Base-Backbone interact. energy: 3.849 local terms energy: -292.040007 where: bonds (distance) C4'-P energy: -99.047 bonds (distance) P-C4' energy: -86.633 flat angles C4'-P-C4' energy: -73.960 flat angles P-C4'-P energy: -52.624 tors. eta vs tors. theta energy: 20.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1924.398837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.398837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.398837 (E_RNA) where: Base-Base interactions energy: -1327.271 where: short stacking energy: -568.602 Base-Backbone interact. energy: -1.442 local terms energy: -595.685894 where: bonds (distance) C4'-P energy: -106.739 bonds (distance) P-C4' energy: -105.541 flat angles C4'-P-C4' energy: -137.278 flat angles P-C4'-P energy: -81.830 tors. eta vs tors. theta energy: -164.298 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: 469 Temperature: 0.950000 Total energy: -1877.228009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.228009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.228009 (E_RNA) where: Base-Base interactions energy: -1290.781 where: short stacking energy: -566.891 Base-Backbone interact. energy: -1.721 local terms energy: -584.725562 where: bonds (distance) C4'-P energy: -108.380 bonds (distance) P-C4' energy: -104.445 flat angles C4'-P-C4' energy: -118.864 flat angles P-C4'-P energy: -75.995 tors. eta vs tors. theta energy: -177.042 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: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1787.620609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.620609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.620609 (E_RNA) where: Base-Base interactions energy: -1241.544 where: short stacking energy: -524.772 Base-Backbone interact. energy: -1.403 local terms energy: -544.674072 where: bonds (distance) C4'-P energy: -102.402 bonds (distance) P-C4' energy: -112.722 flat angles C4'-P-C4' energy: -107.519 flat angles P-C4'-P energy: -80.395 tors. eta vs tors. theta energy: -141.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1719.608722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.608722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.608722 (E_RNA) where: Base-Base interactions energy: -1179.744 where: short stacking energy: -499.100 Base-Backbone interact. energy: -0.868 local terms energy: -538.995877 where: bonds (distance) C4'-P energy: -103.187 bonds (distance) P-C4' energy: -97.303 flat angles C4'-P-C4' energy: -119.073 flat angles P-C4'-P energy: -71.181 tors. eta vs tors. theta energy: -148.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1621.059865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.059865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.059865 (E_RNA) where: Base-Base interactions energy: -1125.138 where: short stacking energy: -461.002 Base-Backbone interact. energy: -1.840 local terms energy: -494.081947 where: bonds (distance) C4'-P energy: -100.269 bonds (distance) P-C4' energy: -92.357 flat angles C4'-P-C4' energy: -99.876 flat angles P-C4'-P energy: -78.198 tors. eta vs tors. theta energy: -123.383 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: 6 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1566.561291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.561291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.561291 (E_RNA) where: Base-Base interactions energy: -1056.371 where: short stacking energy: -454.556 Base-Backbone interact. energy: 0.135 local terms energy: -510.325828 where: bonds (distance) C4'-P energy: -104.785 bonds (distance) P-C4' energy: -104.090 flat angles C4'-P-C4' energy: -113.586 flat angles P-C4'-P energy: -62.561 tors. eta vs tors. theta energy: -125.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1382.080793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.080793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.080793 (E_RNA) where: Base-Base interactions energy: -923.210 where: short stacking energy: -367.533 Base-Backbone interact. energy: 1.052 local terms energy: -459.922579 where: bonds (distance) C4'-P energy: -91.335 bonds (distance) P-C4' energy: -94.429 flat angles C4'-P-C4' energy: -111.914 flat angles P-C4'-P energy: -68.963 tors. eta vs tors. theta energy: -93.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1122.498680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.498680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.498680 (E_RNA) where: Base-Base interactions energy: -714.846 where: short stacking energy: -307.911 Base-Backbone interact. energy: 0.466 local terms energy: -408.118774 where: bonds (distance) C4'-P energy: -88.336 bonds (distance) P-C4' energy: -90.223 flat angles C4'-P-C4' energy: -103.450 flat angles P-C4'-P energy: -66.034 tors. eta vs tors. theta energy: -60.075 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: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -823.717770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.717770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.717770 (E_RNA) where: Base-Base interactions energy: -448.383 where: short stacking energy: -221.508 Base-Backbone interact. energy: 3.870 local terms energy: -379.205155 where: bonds (distance) C4'-P energy: -104.333 bonds (distance) P-C4' energy: -86.705 flat angles C4'-P-C4' energy: -103.501 flat angles P-C4'-P energy: -50.821 tors. eta vs tors. theta energy: -33.845 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: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -517.627809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.627809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.627809 (E_RNA) where: Base-Base interactions energy: -248.240 where: short stacking energy: -142.742 Base-Backbone interact. energy: 3.739 local terms energy: -273.126789 where: bonds (distance) C4'-P energy: -106.607 bonds (distance) P-C4' energy: -79.251 flat angles C4'-P-C4' energy: -57.154 flat angles P-C4'-P energy: -36.261 tors. eta vs tors. theta energy: 6.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1924.222510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.222510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.222510 (E_RNA) where: Base-Base interactions energy: -1316.930 where: short stacking energy: -568.507 Base-Backbone interact. energy: -0.784 local terms energy: -606.509209 where: bonds (distance) C4'-P energy: -113.363 bonds (distance) P-C4' energy: -120.473 flat angles C4'-P-C4' energy: -125.247 flat angles P-C4'-P energy: -72.673 tors. eta vs tors. theta energy: -174.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1885.261644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.261644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.261644 (E_RNA) where: Base-Base interactions energy: -1295.480 where: short stacking energy: -549.856 Base-Backbone interact. energy: 1.506 local terms energy: -591.287185 where: bonds (distance) C4'-P energy: -101.794 bonds (distance) P-C4' energy: -110.205 flat angles C4'-P-C4' energy: -116.414 flat angles P-C4'-P energy: -88.554 tors. eta vs tors. theta energy: -174.320 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: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1781.879694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.879694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.879694 (E_RNA) where: Base-Base interactions energy: -1231.993 where: short stacking energy: -530.840 Base-Backbone interact. energy: -0.187 local terms energy: -549.699429 where: bonds (distance) C4'-P energy: -89.755 bonds (distance) P-C4' energy: -111.019 flat angles C4'-P-C4' energy: -121.457 flat angles P-C4'-P energy: -82.203 tors. eta vs tors. theta energy: -145.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1739.709179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.709179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.709179 (E_RNA) where: Base-Base interactions energy: -1202.516 where: short stacking energy: -505.418 Base-Backbone interact. energy: -1.012 local terms energy: -536.180252 where: bonds (distance) C4'-P energy: -96.561 bonds (distance) P-C4' energy: -98.118 flat angles C4'-P-C4' energy: -121.789 flat angles P-C4'-P energy: -76.363 tors. eta vs tors. theta energy: -143.349 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: 5, replica: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1618.799004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.799004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.799004 (E_RNA) where: Base-Base interactions energy: -1102.237 where: short stacking energy: -477.990 Base-Backbone interact. energy: -0.206 local terms energy: -516.355878 where: bonds (distance) C4'-P energy: -89.125 bonds (distance) P-C4' energy: -110.916 flat angles C4'-P-C4' energy: -106.703 flat angles P-C4'-P energy: -71.207 tors. eta vs tors. theta energy: -138.404 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: 6 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1534.968295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.968295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.968295 (E_RNA) where: Base-Base interactions energy: -1068.402 where: short stacking energy: -479.564 Base-Backbone interact. energy: -1.936 local terms energy: -464.629751 where: bonds (distance) C4'-P energy: -85.057 bonds (distance) P-C4' energy: -89.249 flat angles C4'-P-C4' energy: -92.581 flat angles P-C4'-P energy: -62.600 tors. eta vs tors. theta energy: -135.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1401.153907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.153907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.153907 (E_RNA) where: Base-Base interactions energy: -956.334 where: short stacking energy: -363.829 Base-Backbone interact. energy: -1.644 local terms energy: -443.175850 where: bonds (distance) C4'-P energy: -77.478 bonds (distance) P-C4' energy: -95.532 flat angles C4'-P-C4' energy: -103.363 flat angles P-C4'-P energy: -74.439 tors. eta vs tors. theta energy: -92.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1141.233233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.233233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.233233 (E_RNA) where: Base-Base interactions energy: -733.161 where: short stacking energy: -326.244 Base-Backbone interact. energy: 2.494 local terms energy: -410.566830 where: bonds (distance) C4'-P energy: -86.319 bonds (distance) P-C4' energy: -99.674 flat angles C4'-P-C4' energy: -94.272 flat angles P-C4'-P energy: -70.508 tors. eta vs tors. theta energy: -59.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -838.168872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.168872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.168872 (E_RNA) where: Base-Base interactions energy: -493.161 where: short stacking energy: -238.799 Base-Backbone interact. energy: 3.037 local terms energy: -348.044437 where: bonds (distance) C4'-P energy: -80.096 bonds (distance) P-C4' energy: -103.244 flat angles C4'-P-C4' energy: -92.263 flat angles P-C4'-P energy: -44.917 tors. eta vs tors. theta energy: -27.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -515.649194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.649194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.649194 (E_RNA) where: Base-Base interactions energy: -257.298 where: short stacking energy: -147.264 Base-Backbone interact. energy: -0.663 local terms energy: -257.687895 where: bonds (distance) C4'-P energy: -93.303 bonds (distance) P-C4' energy: -81.725 flat angles C4'-P-C4' energy: -65.720 flat angles P-C4'-P energy: -48.333 tors. eta vs tors. theta energy: 31.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1927.846061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.846061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.846061 (E_RNA) where: Base-Base interactions energy: -1329.639 where: short stacking energy: -575.168 Base-Backbone interact. energy: 1.323 local terms energy: -599.530446 where: bonds (distance) C4'-P energy: -106.910 bonds (distance) P-C4' energy: -111.089 flat angles C4'-P-C4' energy: -126.613 flat angles P-C4'-P energy: -89.244 tors. eta vs tors. theta energy: -165.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1885.476520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.476520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.476520 (E_RNA) where: Base-Base interactions energy: -1275.478 where: short stacking energy: -536.945 Base-Backbone interact. energy: -5.735 local terms energy: -604.264005 where: bonds (distance) C4'-P energy: -114.997 bonds (distance) P-C4' energy: -107.660 flat angles C4'-P-C4' energy: -122.088 flat angles P-C4'-P energy: -88.211 tors. eta vs tors. theta energy: -171.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1772.080314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.080314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.080314 (E_RNA) where: Base-Base interactions energy: -1207.900 where: short stacking energy: -529.452 Base-Backbone interact. energy: -2.689 local terms energy: -561.492046 where: bonds (distance) C4'-P energy: -108.797 bonds (distance) P-C4' energy: -105.105 flat angles C4'-P-C4' energy: -121.883 flat angles P-C4'-P energy: -81.655 tors. eta vs tors. theta energy: -144.052 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: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1718.584405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.584405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.584405 (E_RNA) where: Base-Base interactions energy: -1197.377 where: short stacking energy: -482.626 Base-Backbone interact. energy: -3.812 local terms energy: -517.396042 where: bonds (distance) C4'-P energy: -102.877 bonds (distance) P-C4' energy: -106.474 flat angles C4'-P-C4' energy: -106.853 flat angles P-C4'-P energy: -64.276 tors. eta vs tors. theta energy: -136.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1598.047215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.047215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.047215 (E_RNA) where: Base-Base interactions energy: -1084.613 where: short stacking energy: -470.741 Base-Backbone interact. energy: -1.073 local terms energy: -512.361754 where: bonds (distance) C4'-P energy: -95.807 bonds (distance) P-C4' energy: -98.737 flat angles C4'-P-C4' energy: -105.913 flat angles P-C4'-P energy: -81.812 tors. eta vs tors. theta energy: -130.092 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: 6 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1511.167917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.167917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.167917 (E_RNA) where: Base-Base interactions energy: -1013.600 where: short stacking energy: -429.517 Base-Backbone interact. energy: -2.673 local terms energy: -494.895642 where: bonds (distance) C4'-P energy: -103.740 bonds (distance) P-C4' energy: -90.730 flat angles C4'-P-C4' energy: -105.545 flat angles P-C4'-P energy: -67.688 tors. eta vs tors. theta energy: -127.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1407.340116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.340116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.340116 (E_RNA) where: Base-Base interactions energy: -962.220 where: short stacking energy: -401.058 Base-Backbone interact. energy: 4.563 local terms energy: -449.682545 where: bonds (distance) C4'-P energy: -76.411 bonds (distance) P-C4' energy: -102.617 flat angles C4'-P-C4' energy: -103.046 flat angles P-C4'-P energy: -70.826 tors. eta vs tors. theta energy: -96.783 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: 471 Temperature: 1.250000 Total energy: -1157.216425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.216425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.216425 (E_RNA) where: Base-Base interactions energy: -770.480 where: short stacking energy: -330.033 Base-Backbone interact. energy: -1.961 local terms energy: -384.774723 where: bonds (distance) C4'-P energy: -72.843 bonds (distance) P-C4' energy: -90.621 flat angles C4'-P-C4' energy: -93.445 flat angles P-C4'-P energy: -56.038 tors. eta vs tors. theta energy: -71.829 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: 471 Temperature: 1.300000 Total energy: -782.835030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.835030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.835030 (E_RNA) where: Base-Base interactions energy: -465.309 where: short stacking energy: -230.855 Base-Backbone interact. energy: -3.113 local terms energy: -314.413447 where: bonds (distance) C4'-P energy: -78.999 bonds (distance) P-C4' energy: -89.552 flat angles C4'-P-C4' energy: -80.981 flat angles P-C4'-P energy: -45.977 tors. eta vs tors. theta energy: -18.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -447.393204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.393204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.393204 (E_RNA) where: Base-Base interactions energy: -181.151 where: short stacking energy: -137.312 Base-Backbone interact. energy: -1.549 local terms energy: -264.692999 where: bonds (distance) C4'-P energy: -80.534 bonds (distance) P-C4' energy: -82.785 flat angles C4'-P-C4' energy: -75.397 flat angles P-C4'-P energy: -41.756 tors. eta vs tors. theta energy: 15.779 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: 7 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1951.157270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.157270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.157270 (E_RNA) where: Base-Base interactions energy: -1363.906 where: short stacking energy: -581.146 Base-Backbone interact. energy: -3.238 local terms energy: -584.013249 where: bonds (distance) C4'-P energy: -103.211 bonds (distance) P-C4' energy: -104.837 flat angles C4'-P-C4' energy: -119.997 flat angles P-C4'-P energy: -86.115 tors. eta vs tors. theta energy: -169.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1883.789444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.789444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.789444 (E_RNA) where: Base-Base interactions energy: -1301.812 where: short stacking energy: -576.981 Base-Backbone interact. energy: -3.827 local terms energy: -578.150365 where: bonds (distance) C4'-P energy: -90.056 bonds (distance) P-C4' energy: -96.041 flat angles C4'-P-C4' energy: -124.433 flat angles P-C4'-P energy: -92.166 tors. eta vs tors. theta energy: -175.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1809.014464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.014464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.014464 (E_RNA) where: Base-Base interactions energy: -1236.645 where: short stacking energy: -548.366 Base-Backbone interact. energy: -1.487 local terms energy: -570.882634 where: bonds (distance) C4'-P energy: -100.853 bonds (distance) P-C4' energy: -106.138 flat angles C4'-P-C4' energy: -127.582 flat angles P-C4'-P energy: -79.619 tors. eta vs tors. theta energy: -156.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1752.329005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.329005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.329005 (E_RNA) where: Base-Base interactions energy: -1212.882 where: short stacking energy: -535.084 Base-Backbone interact. energy: -2.310 local terms energy: -537.136320 where: bonds (distance) C4'-P energy: -97.447 bonds (distance) P-C4' energy: -91.526 flat angles C4'-P-C4' energy: -116.942 flat angles P-C4'-P energy: -79.274 tors. eta vs tors. theta energy: -151.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1602.964094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.964094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.964094 (E_RNA) where: Base-Base interactions energy: -1101.732 where: short stacking energy: -488.051 Base-Backbone interact. energy: -0.949 local terms energy: -500.283520 where: bonds (distance) C4'-P energy: -84.719 bonds (distance) P-C4' energy: -90.128 flat angles C4'-P-C4' energy: -116.460 flat angles P-C4'-P energy: -69.729 tors. eta vs tors. theta energy: -139.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1507.999421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.999421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.999421 (E_RNA) where: Base-Base interactions energy: -1017.708 where: short stacking energy: -456.859 Base-Backbone interact. energy: -1.228 local terms energy: -489.063183 where: bonds (distance) C4'-P energy: -94.731 bonds (distance) P-C4' energy: -88.804 flat angles C4'-P-C4' energy: -109.942 flat angles P-C4'-P energy: -65.184 tors. eta vs tors. theta energy: -130.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1412.998901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.998901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.998901 (E_RNA) where: Base-Base interactions energy: -976.220 where: short stacking energy: -413.332 Base-Backbone interact. energy: -1.219 local terms energy: -435.559557 where: bonds (distance) C4'-P energy: -81.046 bonds (distance) P-C4' energy: -92.844 flat angles C4'-P-C4' energy: -95.485 flat angles P-C4'-P energy: -61.912 tors. eta vs tors. theta energy: -104.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1148.645906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.645906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.645906 (E_RNA) where: Base-Base interactions energy: -722.977 where: short stacking energy: -305.173 Base-Backbone interact. energy: -1.344 local terms energy: -424.325270 where: bonds (distance) C4'-P energy: -87.058 bonds (distance) P-C4' energy: -90.809 flat angles C4'-P-C4' energy: -109.834 flat angles P-C4'-P energy: -71.774 tors. eta vs tors. theta energy: -64.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -715.599308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.599308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.599308 (E_RNA) where: Base-Base interactions energy: -388.246 where: short stacking energy: -185.823 Base-Backbone interact. energy: -2.757 local terms energy: -324.596303 where: bonds (distance) C4'-P energy: -82.277 bonds (distance) P-C4' energy: -88.406 flat angles C4'-P-C4' energy: -96.498 flat angles P-C4'-P energy: -55.366 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -487.095702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.095702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.095702 (E_RNA) where: Base-Base interactions energy: -212.221 where: short stacking energy: -144.681 Base-Backbone interact. energy: -1.521 local terms energy: -273.353575 where: bonds (distance) C4'-P energy: -86.501 bonds (distance) P-C4' energy: -84.422 flat angles C4'-P-C4' energy: -62.178 flat angles P-C4'-P energy: -51.705 tors. eta vs tors. theta energy: 11.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1937.625863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.625863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.625863 (E_RNA) where: Base-Base interactions energy: -1350.344 where: short stacking energy: -563.792 Base-Backbone interact. energy: -1.335 local terms energy: -585.946607 where: bonds (distance) C4'-P energy: -115.542 bonds (distance) P-C4' energy: -96.860 flat angles C4'-P-C4' energy: -112.898 flat angles P-C4'-P energy: -91.331 tors. eta vs tors. theta energy: -169.316 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: 473 Temperature: 0.950000 Total energy: -1876.269399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.269399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.269399 (E_RNA) where: Base-Base interactions energy: -1306.292 where: short stacking energy: -546.005 Base-Backbone interact. energy: -0.624 local terms energy: -569.353661 where: bonds (distance) C4'-P energy: -98.144 bonds (distance) P-C4' energy: -104.838 flat angles C4'-P-C4' energy: -112.919 flat angles P-C4'-P energy: -81.340 tors. eta vs tors. theta energy: -172.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1809.317216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.317216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.317216 (E_RNA) where: Base-Base interactions energy: -1228.436 where: short stacking energy: -523.400 Base-Backbone interact. energy: -2.183 local terms energy: -578.698787 where: bonds (distance) C4'-P energy: -108.127 bonds (distance) P-C4' energy: -103.597 flat angles C4'-P-C4' energy: -128.840 flat angles P-C4'-P energy: -72.836 tors. eta vs tors. theta energy: -165.298 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: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1726.404370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.404370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.404370 (E_RNA) where: Base-Base interactions energy: -1183.428 where: short stacking energy: -513.279 Base-Backbone interact. energy: -3.976 local terms energy: -539.000413 where: bonds (distance) C4'-P energy: -107.948 bonds (distance) P-C4' energy: -89.860 flat angles C4'-P-C4' energy: -118.216 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: -141.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1621.550866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.550866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.550866 (E_RNA) where: Base-Base interactions energy: -1117.709 where: short stacking energy: -476.429 Base-Backbone interact. energy: -1.398 local terms energy: -502.444030 where: bonds (distance) C4'-P energy: -92.066 bonds (distance) P-C4' energy: -89.453 flat angles C4'-P-C4' energy: -108.411 flat angles P-C4'-P energy: -80.646 tors. eta vs tors. theta energy: -131.868 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: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1466.505077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.505077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.505077 (E_RNA) where: Base-Base interactions energy: -990.927 where: short stacking energy: -411.860 Base-Backbone interact. energy: -1.408 local terms energy: -474.169130 where: bonds (distance) C4'-P energy: -99.491 bonds (distance) P-C4' energy: -103.884 flat angles C4'-P-C4' energy: -95.285 flat angles P-C4'-P energy: -70.022 tors. eta vs tors. theta energy: -105.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1461.741452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.741452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.741452 (E_RNA) where: Base-Base interactions energy: -990.266 where: short stacking energy: -417.822 Base-Backbone interact. energy: -1.750 local terms energy: -469.725954 where: bonds (distance) C4'-P energy: -92.890 bonds (distance) P-C4' energy: -100.633 flat angles C4'-P-C4' energy: -86.798 flat angles P-C4'-P energy: -77.471 tors. eta vs tors. theta energy: -111.934 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: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1182.560670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.560670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.560670 (E_RNA) where: Base-Base interactions energy: -750.341 where: short stacking energy: -321.639 Base-Backbone interact. energy: -0.371 local terms energy: -431.849058 where: bonds (distance) C4'-P energy: -108.727 bonds (distance) P-C4' energy: -94.266 flat angles C4'-P-C4' energy: -95.505 flat angles P-C4'-P energy: -64.050 tors. eta vs tors. theta energy: -69.301 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: 473 Temperature: 1.300000 Total energy: -786.280882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.280882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.280882 (E_RNA) where: Base-Base interactions energy: -450.645 where: short stacking energy: -230.041 Base-Backbone interact. energy: -1.770 local terms energy: -333.865401 where: bonds (distance) C4'-P energy: -88.926 bonds (distance) P-C4' energy: -94.318 flat angles C4'-P-C4' energy: -70.741 flat angles P-C4'-P energy: -61.920 tors. eta vs tors. theta energy: -17.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -467.005199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.005199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.005199 (E_RNA) where: Base-Base interactions energy: -181.958 where: short stacking energy: -142.845 Base-Backbone interact. energy: -2.146 local terms energy: -282.901928 where: bonds (distance) C4'-P energy: -85.784 bonds (distance) P-C4' energy: -105.012 flat angles C4'-P-C4' energy: -70.018 flat angles P-C4'-P energy: -38.481 tors. eta vs tors. theta energy: 16.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1949.064418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.064418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.064418 (E_RNA) where: Base-Base interactions energy: -1338.643 where: short stacking energy: -575.852 Base-Backbone interact. energy: -1.082 local terms energy: -609.339304 where: bonds (distance) C4'-P energy: -99.756 bonds (distance) P-C4' energy: -110.836 flat angles C4'-P-C4' energy: -127.770 flat angles P-C4'-P energy: -96.144 tors. eta vs tors. theta energy: -174.833 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: 2, replica: 5 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1885.221792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.221792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.221792 (E_RNA) where: Base-Base interactions energy: -1313.258 where: short stacking energy: -569.655 Base-Backbone interact. energy: -2.521 local terms energy: -569.442862 where: bonds (distance) C4'-P energy: -101.687 bonds (distance) P-C4' energy: -87.309 flat angles C4'-P-C4' energy: -116.848 flat angles P-C4'-P energy: -91.372 tors. eta vs tors. theta energy: -172.227 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: 10 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1755.433570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.433570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.433570 (E_RNA) where: Base-Base interactions energy: -1202.904 where: short stacking energy: -516.989 Base-Backbone interact. energy: 0.039 local terms energy: -552.568997 where: bonds (distance) C4'-P energy: -98.847 bonds (distance) P-C4' energy: -111.629 flat angles C4'-P-C4' energy: -116.475 flat angles P-C4'-P energy: -77.692 tors. eta vs tors. theta energy: -147.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1669.288639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.288639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.288639 (E_RNA) where: Base-Base interactions energy: -1149.433 where: short stacking energy: -498.009 Base-Backbone interact. energy: -3.220 local terms energy: -516.635513 where: bonds (distance) C4'-P energy: -88.684 bonds (distance) P-C4' energy: -97.832 flat angles C4'-P-C4' energy: -118.289 flat angles P-C4'-P energy: -64.960 tors. eta vs tors. theta energy: -146.870 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: 474 Temperature: 1.100000 Total energy: -1583.529006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.529006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.529006 (E_RNA) where: Base-Base interactions energy: -1070.135 where: short stacking energy: -457.046 Base-Backbone interact. energy: -3.179 local terms energy: -510.214685 where: bonds (distance) C4'-P energy: -99.725 bonds (distance) P-C4' energy: -100.190 flat angles C4'-P-C4' energy: -115.727 flat angles P-C4'-P energy: -69.594 tors. eta vs tors. theta energy: -124.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1420.436042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.436042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.436042 (E_RNA) where: Base-Base interactions energy: -964.790 where: short stacking energy: -386.403 Base-Backbone interact. energy: -0.777 local terms energy: -454.868494 where: bonds (distance) C4'-P energy: -111.889 bonds (distance) P-C4' energy: -72.017 flat angles C4'-P-C4' energy: -105.016 flat angles P-C4'-P energy: -72.466 tors. eta vs tors. theta energy: -93.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1458.882148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.882148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.882148 (E_RNA) where: Base-Base interactions energy: -987.312 where: short stacking energy: -408.804 Base-Backbone interact. energy: -1.939 local terms energy: -469.631424 where: bonds (distance) C4'-P energy: -77.506 bonds (distance) P-C4' energy: -89.238 flat angles C4'-P-C4' energy: -115.569 flat angles P-C4'-P energy: -70.056 tors. eta vs tors. theta energy: -117.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1167.062168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.062168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.062168 (E_RNA) where: Base-Base interactions energy: -761.204 where: short stacking energy: -315.679 Base-Backbone interact. energy: -3.021 local terms energy: -402.837125 where: bonds (distance) C4'-P energy: -84.965 bonds (distance) P-C4' energy: -90.032 flat angles C4'-P-C4' energy: -85.455 flat angles P-C4'-P energy: -69.641 tors. eta vs tors. theta energy: -72.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -837.848070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.848070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.848070 (E_RNA) where: Base-Base interactions energy: -493.656 where: short stacking energy: -240.242 Base-Backbone interact. energy: 6.993 local terms energy: -351.184717 where: bonds (distance) C4'-P energy: -89.023 bonds (distance) P-C4' energy: -96.495 flat angles C4'-P-C4' energy: -80.092 flat angles P-C4'-P energy: -47.688 tors. eta vs tors. theta energy: -37.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -415.244320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.244320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.244320 (E_RNA) where: Base-Base interactions energy: -169.197 where: short stacking energy: -133.156 Base-Backbone interact. energy: -2.127 local terms energy: -243.920374 where: bonds (distance) C4'-P energy: -70.646 bonds (distance) P-C4' energy: -80.217 flat angles C4'-P-C4' energy: -73.608 flat angles P-C4'-P energy: -39.822 tors. eta vs tors. theta energy: 20.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1914.983945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.983945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.983945 (E_RNA) where: Base-Base interactions energy: -1330.176 where: short stacking energy: -575.496 Base-Backbone interact. energy: -1.961 local terms energy: -582.846708 where: bonds (distance) C4'-P energy: -103.470 bonds (distance) P-C4' energy: -109.610 flat angles C4'-P-C4' energy: -119.931 flat angles P-C4'-P energy: -75.938 tors. eta vs tors. theta energy: -173.898 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: 5 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1886.594810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.594810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.594810 (E_RNA) where: Base-Base interactions energy: -1298.035 where: short stacking energy: -571.091 Base-Backbone interact. energy: -3.353 local terms energy: -585.206775 where: bonds (distance) C4'-P energy: -113.539 bonds (distance) P-C4' energy: -97.730 flat angles C4'-P-C4' energy: -119.016 flat angles P-C4'-P energy: -78.412 tors. eta vs tors. theta energy: -176.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1779.798481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.798481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.798481 (E_RNA) where: Base-Base interactions energy: -1201.721 where: short stacking energy: -532.985 Base-Backbone interact. energy: -1.951 local terms energy: -576.126206 where: bonds (distance) C4'-P energy: -97.803 bonds (distance) P-C4' energy: -110.107 flat angles C4'-P-C4' energy: -127.421 flat angles P-C4'-P energy: -81.777 tors. eta vs tors. theta energy: -159.019 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: 2 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1663.150830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.150830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.150830 (E_RNA) where: Base-Base interactions energy: -1131.509 where: short stacking energy: -486.328 Base-Backbone interact. energy: -2.418 local terms energy: -529.223553 where: bonds (distance) C4'-P energy: -99.752 bonds (distance) P-C4' energy: -99.194 flat angles C4'-P-C4' energy: -116.047 flat angles P-C4'-P energy: -70.053 tors. eta vs tors. theta energy: -144.178 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: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1639.842973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.842973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.842973 (E_RNA) where: Base-Base interactions energy: -1123.004 where: short stacking energy: -485.480 Base-Backbone interact. energy: -3.806 local terms energy: -513.033447 where: bonds (distance) C4'-P energy: -109.617 bonds (distance) P-C4' energy: -87.860 flat angles C4'-P-C4' energy: -117.057 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -138.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1488.229535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.229535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.229535 (E_RNA) where: Base-Base interactions energy: -1014.099 where: short stacking energy: -440.869 Base-Backbone interact. energy: -1.877 local terms energy: -472.252997 where: bonds (distance) C4'-P energy: -88.746 bonds (distance) P-C4' energy: -92.762 flat angles C4'-P-C4' energy: -114.165 flat angles P-C4'-P energy: -68.349 tors. eta vs tors. theta energy: -108.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1469.940698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.940698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.940698 (E_RNA) where: Base-Base interactions energy: -1021.083 where: short stacking energy: -432.695 Base-Backbone interact. energy: 3.453 local terms energy: -452.310488 where: bonds (distance) C4'-P energy: -82.340 bonds (distance) P-C4' energy: -89.596 flat angles C4'-P-C4' energy: -109.318 flat angles P-C4'-P energy: -69.656 tors. eta vs tors. theta energy: -101.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1182.965861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.965861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.965861 (E_RNA) where: Base-Base interactions energy: -782.368 where: short stacking energy: -362.866 Base-Backbone interact. energy: -0.199 local terms energy: -400.398967 where: bonds (distance) C4'-P energy: -79.099 bonds (distance) P-C4' energy: -90.240 flat angles C4'-P-C4' energy: -76.903 flat angles P-C4'-P energy: -59.981 tors. eta vs tors. theta energy: -94.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -805.761735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.761735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.761735 (E_RNA) where: Base-Base interactions energy: -485.199 where: short stacking energy: -233.289 Base-Backbone interact. energy: -1.277 local terms energy: -319.285130 where: bonds (distance) C4'-P energy: -82.827 bonds (distance) P-C4' energy: -96.158 flat angles C4'-P-C4' energy: -71.506 flat angles P-C4'-P energy: -54.139 tors. eta vs tors. theta energy: -14.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -461.692051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.692051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.692051 (E_RNA) where: Base-Base interactions energy: -190.064 where: short stacking energy: -126.424 Base-Backbone interact. energy: -2.934 local terms energy: -268.693550 where: bonds (distance) C4'-P energy: -74.953 bonds (distance) P-C4' energy: -98.892 flat angles C4'-P-C4' energy: -77.470 flat angles P-C4'-P energy: -29.342 tors. eta vs tors. theta energy: 11.964 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: 1, replica: 7 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1928.964963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.964963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.964963 (E_RNA) where: Base-Base interactions energy: -1318.525 where: short stacking energy: -572.942 Base-Backbone interact. energy: -2.685 local terms energy: -607.754620 where: bonds (distance) C4'-P energy: -104.597 bonds (distance) P-C4' energy: -115.925 flat angles C4'-P-C4' energy: -126.871 flat angles P-C4'-P energy: -91.338 tors. eta vs tors. theta energy: -169.024 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: 5 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1896.296345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.296345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.296345 (E_RNA) where: Base-Base interactions energy: -1285.323 where: short stacking energy: -552.766 Base-Backbone interact. energy: -2.148 local terms energy: -608.826206 where: bonds (distance) C4'-P energy: -122.939 bonds (distance) P-C4' energy: -104.952 flat angles C4'-P-C4' energy: -117.273 flat angles P-C4'-P energy: -83.696 tors. eta vs tors. theta energy: -179.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1772.633253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.633253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.633253 (E_RNA) where: Base-Base interactions energy: -1233.279 where: short stacking energy: -533.260 Base-Backbone interact. energy: -2.414 local terms energy: -536.939721 where: bonds (distance) C4'-P energy: -103.165 bonds (distance) P-C4' energy: -97.171 flat angles C4'-P-C4' energy: -112.576 flat angles P-C4'-P energy: -71.102 tors. eta vs tors. theta energy: -152.925 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: 476 Temperature: 1.050000 Total energy: -1704.716716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.716716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.716716 (E_RNA) where: Base-Base interactions energy: -1167.784 where: short stacking energy: -529.739 Base-Backbone interact. energy: -0.855 local terms energy: -536.077478 where: bonds (distance) C4'-P energy: -92.631 bonds (distance) P-C4' energy: -112.053 flat angles C4'-P-C4' energy: -112.399 flat angles P-C4'-P energy: -72.026 tors. eta vs tors. theta energy: -146.969 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: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1663.734965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.734965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.734965 (E_RNA) where: Base-Base interactions energy: -1155.485 where: short stacking energy: -491.483 Base-Backbone interact. energy: -1.586 local terms energy: -506.664582 where: bonds (distance) C4'-P energy: -88.920 bonds (distance) P-C4' energy: -82.749 flat angles C4'-P-C4' energy: -114.477 flat angles P-C4'-P energy: -82.844 tors. eta vs tors. theta energy: -137.675 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: 6, replica: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1530.688422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.688422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.688422 (E_RNA) where: Base-Base interactions energy: -1046.996 where: short stacking energy: -424.366 Base-Backbone interact. energy: -0.782 local terms energy: -482.910964 where: bonds (distance) C4'-P energy: -87.975 bonds (distance) P-C4' energy: -96.967 flat angles C4'-P-C4' energy: -113.035 flat angles P-C4'-P energy: -67.597 tors. eta vs tors. theta energy: -117.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1381.844460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.844460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.844460 (E_RNA) where: Base-Base interactions energy: -926.139 where: short stacking energy: -380.633 Base-Backbone interact. energy: -0.183 local terms energy: -455.522326 where: bonds (distance) C4'-P energy: -90.892 bonds (distance) P-C4' energy: -79.117 flat angles C4'-P-C4' energy: -102.176 flat angles P-C4'-P energy: -79.846 tors. eta vs tors. theta energy: -103.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1166.709009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.709009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.709009 (E_RNA) where: Base-Base interactions energy: -757.462 where: short stacking energy: -337.098 Base-Backbone interact. energy: -0.125 local terms energy: -409.122484 where: bonds (distance) C4'-P energy: -102.672 bonds (distance) P-C4' energy: -91.980 flat angles C4'-P-C4' energy: -76.138 flat angles P-C4'-P energy: -63.002 tors. eta vs tors. theta energy: -75.330 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: 9 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -903.926355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.926355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.926355 (E_RNA) where: Base-Base interactions energy: -522.217 where: short stacking energy: -264.410 Base-Backbone interact. energy: -2.079 local terms energy: -379.631222 where: bonds (distance) C4'-P energy: -95.693 bonds (distance) P-C4' energy: -89.500 flat angles C4'-P-C4' energy: -91.405 flat angles P-C4'-P energy: -51.341 tors. eta vs tors. theta energy: -51.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -456.964305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.964305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.964305 (E_RNA) where: Base-Base interactions energy: -188.543 where: short stacking energy: -134.476 Base-Backbone interact. energy: 6.272 local terms energy: -274.692826 where: bonds (distance) C4'-P energy: -91.960 bonds (distance) P-C4' energy: -79.997 flat angles C4'-P-C4' energy: -91.290 flat angles P-C4'-P energy: -25.314 tors. eta vs tors. theta energy: 13.868 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: 7 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1909.760221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.760221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.760221 (E_RNA) where: Base-Base interactions energy: -1323.825 where: short stacking energy: -568.476 Base-Backbone interact. energy: -6.094 local terms energy: -579.841280 where: bonds (distance) C4'-P energy: -101.517 bonds (distance) P-C4' energy: -104.542 flat angles C4'-P-C4' energy: -124.861 flat angles P-C4'-P energy: -78.238 tors. eta vs tors. theta energy: -170.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1876.937257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.937257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.937257 (E_RNA) where: Base-Base interactions energy: -1299.148 where: short stacking energy: -558.525 Base-Backbone interact. energy: -3.831 local terms energy: -573.958585 where: bonds (distance) C4'-P energy: -99.048 bonds (distance) P-C4' energy: -105.239 flat angles C4'-P-C4' energy: -105.820 flat angles P-C4'-P energy: -93.667 tors. eta vs tors. theta energy: -170.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1790.711129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.711129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.711129 (E_RNA) where: Base-Base interactions energy: -1250.516 where: short stacking energy: -541.198 Base-Backbone interact. energy: 4.021 local terms energy: -544.215998 where: bonds (distance) C4'-P energy: -84.708 bonds (distance) P-C4' energy: -104.482 flat angles C4'-P-C4' energy: -119.563 flat angles P-C4'-P energy: -79.264 tors. eta vs tors. theta energy: -156.199 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: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1648.170534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.170534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.170534 (E_RNA) where: Base-Base interactions energy: -1107.001 where: short stacking energy: -504.047 Base-Backbone interact. energy: -0.319 local terms energy: -540.850384 where: bonds (distance) C4'-P energy: -100.533 bonds (distance) P-C4' energy: -102.547 flat angles C4'-P-C4' energy: -106.553 flat angles P-C4'-P energy: -88.390 tors. eta vs tors. theta energy: -142.828 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: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1643.540389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.540389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.540389 (E_RNA) where: Base-Base interactions energy: -1108.158 where: short stacking energy: -471.137 Base-Backbone interact. energy: -3.195 local terms energy: -532.187162 where: bonds (distance) C4'-P energy: -107.320 bonds (distance) P-C4' energy: -105.938 flat angles C4'-P-C4' energy: -104.312 flat angles P-C4'-P energy: -76.671 tors. eta vs tors. theta energy: -137.945 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: 477 Temperature: 1.150000 Total energy: -1500.683538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.683538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.683538 (E_RNA) where: Base-Base interactions energy: -1015.482 where: short stacking energy: -466.518 Base-Backbone interact. energy: -0.664 local terms energy: -484.537569 where: bonds (distance) C4'-P energy: -83.158 bonds (distance) P-C4' energy: -99.612 flat angles C4'-P-C4' energy: -101.961 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -125.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1370.078162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.078162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.078162 (E_RNA) where: Base-Base interactions energy: -914.346 where: short stacking energy: -389.065 Base-Backbone interact. energy: -0.924 local terms energy: -454.807340 where: bonds (distance) C4'-P energy: -98.516 bonds (distance) P-C4' energy: -93.117 flat angles C4'-P-C4' energy: -88.983 flat angles P-C4'-P energy: -61.687 tors. eta vs tors. theta energy: -112.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1144.424570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.424570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.424570 (E_RNA) where: Base-Base interactions energy: -749.629 where: short stacking energy: -337.457 Base-Backbone interact. energy: -1.497 local terms energy: -393.298878 where: bonds (distance) C4'-P energy: -88.876 bonds (distance) P-C4' energy: -73.583 flat angles C4'-P-C4' energy: -87.135 flat angles P-C4'-P energy: -61.345 tors. eta vs tors. theta energy: -82.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -854.814754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.814754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.814754 (E_RNA) where: Base-Base interactions energy: -491.955 where: short stacking energy: -239.932 Base-Backbone interact. energy: -1.513 local terms energy: -361.347251 where: bonds (distance) C4'-P energy: -92.829 bonds (distance) P-C4' energy: -95.396 flat angles C4'-P-C4' energy: -89.822 flat angles P-C4'-P energy: -47.225 tors. eta vs tors. theta energy: -36.074 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: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -479.873389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.873389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.873389 (E_RNA) where: Base-Base interactions energy: -193.326 where: short stacking energy: -144.292 Base-Backbone interact. energy: -1.679 local terms energy: -284.868102 where: bonds (distance) C4'-P energy: -86.399 bonds (distance) P-C4' energy: -113.415 flat angles C4'-P-C4' energy: -59.376 flat angles P-C4'-P energy: -33.138 tors. eta vs tors. theta energy: 7.460 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: 7 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1896.992737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.992737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.992737 (E_RNA) where: Base-Base interactions energy: -1307.655 where: short stacking energy: -568.944 Base-Backbone interact. energy: -3.030 local terms energy: -586.306837 where: bonds (distance) C4'-P energy: -114.414 bonds (distance) P-C4' energy: -103.221 flat angles C4'-P-C4' energy: -114.767 flat angles P-C4'-P energy: -90.588 tors. eta vs tors. theta energy: -163.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1885.428213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.428213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.428213 (E_RNA) where: Base-Base interactions energy: -1288.108 where: short stacking energy: -567.340 Base-Backbone interact. energy: -3.032 local terms energy: -594.287979 where: bonds (distance) C4'-P energy: -109.749 bonds (distance) P-C4' energy: -99.104 flat angles C4'-P-C4' energy: -122.696 flat angles P-C4'-P energy: -83.763 tors. eta vs tors. theta energy: -178.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1765.385296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.385296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.385296 (E_RNA) where: Base-Base interactions energy: -1197.753 where: short stacking energy: -518.481 Base-Backbone interact. energy: -1.663 local terms energy: -565.968508 where: bonds (distance) C4'-P energy: -101.856 bonds (distance) P-C4' energy: -112.578 flat angles C4'-P-C4' energy: -107.786 flat angles P-C4'-P energy: -87.161 tors. eta vs tors. theta energy: -156.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1687.510399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.510399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.510399 (E_RNA) where: Base-Base interactions energy: -1145.108 where: short stacking energy: -488.508 Base-Backbone interact. energy: 0.321 local terms energy: -542.724146 where: bonds (distance) C4'-P energy: -103.662 bonds (distance) P-C4' energy: -110.538 flat angles C4'-P-C4' energy: -116.839 flat angles P-C4'-P energy: -62.347 tors. eta vs tors. theta energy: -149.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1650.155134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.155134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.155134 (E_RNA) where: Base-Base interactions energy: -1142.012 where: short stacking energy: -501.883 Base-Backbone interact. energy: -0.507 local terms energy: -507.636371 where: bonds (distance) C4'-P energy: -89.344 bonds (distance) P-C4' energy: -102.095 flat angles C4'-P-C4' energy: -104.310 flat angles P-C4'-P energy: -61.381 tors. eta vs tors. theta energy: -150.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1520.949614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.949614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.949614 (E_RNA) where: Base-Base interactions energy: -1063.345 where: short stacking energy: -443.427 Base-Backbone interact. energy: -1.548 local terms energy: -456.056568 where: bonds (distance) C4'-P energy: -70.173 bonds (distance) P-C4' energy: -101.441 flat angles C4'-P-C4' energy: -97.250 flat angles P-C4'-P energy: -66.553 tors. eta vs tors. theta energy: -120.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1491.787011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.787011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.787011 (E_RNA) where: Base-Base interactions energy: -1004.354 where: short stacking energy: -430.808 Base-Backbone interact. energy: 3.124 local terms energy: -490.557051 where: bonds (distance) C4'-P energy: -98.451 bonds (distance) P-C4' energy: -101.458 flat angles C4'-P-C4' energy: -96.756 flat angles P-C4'-P energy: -71.978 tors. eta vs tors. theta energy: -121.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1202.237645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.237645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.237645 (E_RNA) where: Base-Base interactions energy: -787.457 where: short stacking energy: -330.704 Base-Backbone interact. energy: -3.028 local terms energy: -411.752275 where: bonds (distance) C4'-P energy: -95.168 bonds (distance) P-C4' energy: -86.082 flat angles C4'-P-C4' energy: -87.070 flat angles P-C4'-P energy: -53.853 tors. eta vs tors. theta energy: -89.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -844.553300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.553300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.553300 (E_RNA) where: Base-Base interactions energy: -477.108 where: short stacking energy: -225.325 Base-Backbone interact. energy: -0.508 local terms energy: -366.937990 where: bonds (distance) C4'-P energy: -100.689 bonds (distance) P-C4' energy: -84.131 flat angles C4'-P-C4' energy: -83.957 flat angles P-C4'-P energy: -54.551 tors. eta vs tors. theta energy: -43.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -454.090468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.090468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.090468 (E_RNA) where: Base-Base interactions energy: -187.760 where: short stacking energy: -127.556 Base-Backbone interact. energy: -0.370 local terms energy: -265.960641 where: bonds (distance) C4'-P energy: -76.056 bonds (distance) P-C4' energy: -89.272 flat angles C4'-P-C4' energy: -66.548 flat angles P-C4'-P energy: -52.646 tors. eta vs tors. theta energy: 18.561 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: 7 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1922.709863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.709863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.709863 (E_RNA) where: Base-Base interactions energy: -1318.760 where: short stacking energy: -575.943 Base-Backbone interact. energy: -1.995 local terms energy: -601.954082 where: bonds (distance) C4'-P energy: -109.361 bonds (distance) P-C4' energy: -115.093 flat angles C4'-P-C4' energy: -126.338 flat angles P-C4'-P energy: -78.248 tors. eta vs tors. theta energy: -172.914 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: 479 Temperature: 0.950000 Total energy: -1862.187580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.187580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.187580 (E_RNA) where: Base-Base interactions energy: -1264.064 where: short stacking energy: -557.206 Base-Backbone interact. energy: -5.720 local terms energy: -592.404069 where: bonds (distance) C4'-P energy: -108.619 bonds (distance) P-C4' energy: -111.006 flat angles C4'-P-C4' energy: -110.509 flat angles P-C4'-P energy: -87.301 tors. eta vs tors. theta energy: -174.970 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: 3, replica: 10 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1766.893274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.893274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.893274 (E_RNA) where: Base-Base interactions energy: -1203.101 where: short stacking energy: -541.384 Base-Backbone interact. energy: -3.881 local terms energy: -559.911532 where: bonds (distance) C4'-P energy: -99.626 bonds (distance) P-C4' energy: -105.135 flat angles C4'-P-C4' energy: -115.082 flat angles P-C4'-P energy: -86.745 tors. eta vs tors. theta energy: -153.323 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: 2 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1678.276963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.276963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.276963 (E_RNA) where: Base-Base interactions energy: -1157.615 where: short stacking energy: -493.446 Base-Backbone interact. energy: -2.655 local terms energy: -518.007463 where: bonds (distance) C4'-P energy: -103.317 bonds (distance) P-C4' energy: -98.663 flat angles C4'-P-C4' energy: -102.254 flat angles P-C4'-P energy: -79.704 tors. eta vs tors. theta energy: -134.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1643.796510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.796510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.796510 (E_RNA) where: Base-Base interactions energy: -1153.119 where: short stacking energy: -502.068 Base-Backbone interact. energy: -0.344 local terms energy: -490.333560 where: bonds (distance) C4'-P energy: -84.961 bonds (distance) P-C4' energy: -78.544 flat angles C4'-P-C4' energy: -107.720 flat angles P-C4'-P energy: -71.225 tors. eta vs tors. theta energy: -147.884 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: 6 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1494.765016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.765016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.765016 (E_RNA) where: Base-Base interactions energy: -1012.935 where: short stacking energy: -423.354 Base-Backbone interact. energy: -0.530 local terms energy: -481.299918 where: bonds (distance) C4'-P energy: -87.137 bonds (distance) P-C4' energy: -101.873 flat angles C4'-P-C4' energy: -112.964 flat angles P-C4'-P energy: -67.019 tors. eta vs tors. theta energy: -112.308 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: 4 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1475.900672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.900672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.900672 (E_RNA) where: Base-Base interactions energy: -1045.174 where: short stacking energy: -454.082 Base-Backbone interact. energy: -1.214 local terms energy: -429.512854 where: bonds (distance) C4'-P energy: -72.987 bonds (distance) P-C4' energy: -68.678 flat angles C4'-P-C4' energy: -99.549 flat angles P-C4'-P energy: -64.250 tors. eta vs tors. theta energy: -124.048 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: 479 Temperature: 1.250000 Total energy: -1151.834293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.834293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.834293 (E_RNA) where: Base-Base interactions energy: -754.629 where: short stacking energy: -334.917 Base-Backbone interact. energy: 3.789 local terms energy: -400.994004 where: bonds (distance) C4'-P energy: -92.499 bonds (distance) P-C4' energy: -105.819 flat angles C4'-P-C4' energy: -82.501 flat angles P-C4'-P energy: -64.493 tors. eta vs tors. theta energy: -55.682 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: 479 Temperature: 1.300000 Total energy: -816.127370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.127370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.127370 (E_RNA) where: Base-Base interactions energy: -460.806 where: short stacking energy: -237.674 Base-Backbone interact. energy: -1.472 local terms energy: -353.848965 where: bonds (distance) C4'-P energy: -100.480 bonds (distance) P-C4' energy: -78.817 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -45.839 tors. eta vs tors. theta energy: -31.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -469.394116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.394116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.394116 (E_RNA) where: Base-Base interactions energy: -221.538 where: short stacking energy: -133.559 Base-Backbone interact. energy: -1.508 local terms energy: -246.348011 where: bonds (distance) C4'-P energy: -82.092 bonds (distance) P-C4' energy: -74.924 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -40.722 tors. eta vs tors. theta energy: 14.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1906.232826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.232826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.232826 (E_RNA) where: Base-Base interactions energy: -1308.893 where: short stacking energy: -571.363 Base-Backbone interact. energy: -2.106 local terms energy: -595.234281 where: bonds (distance) C4'-P energy: -102.996 bonds (distance) P-C4' energy: -122.376 flat angles C4'-P-C4' energy: -113.218 flat angles P-C4'-P energy: -83.309 tors. eta vs tors. theta energy: -173.335 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: 2, replica: 5 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1861.136778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.136778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.136778 (E_RNA) where: Base-Base interactions energy: -1280.672 where: short stacking energy: -575.910 Base-Backbone interact. energy: 0.191 local terms energy: -580.656007 where: bonds (distance) C4'-P energy: -96.503 bonds (distance) P-C4' energy: -98.687 flat angles C4'-P-C4' energy: -128.620 flat angles P-C4'-P energy: -87.256 tors. eta vs tors. theta energy: -169.589 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: 3, replica: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1794.681891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.681891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.681891 (E_RNA) where: Base-Base interactions energy: -1238.512 where: short stacking energy: -522.417 Base-Backbone interact. energy: -2.799 local terms energy: -553.371132 where: bonds (distance) C4'-P energy: -104.166 bonds (distance) P-C4' energy: -102.587 flat angles C4'-P-C4' energy: -117.644 flat angles P-C4'-P energy: -70.449 tors. eta vs tors. theta energy: -158.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1656.550675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.550675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.550675 (E_RNA) where: Base-Base interactions energy: -1141.650 where: short stacking energy: -499.672 Base-Backbone interact. energy: 0.569 local terms energy: -515.469404 where: bonds (distance) C4'-P energy: -89.107 bonds (distance) P-C4' energy: -104.533 flat angles C4'-P-C4' energy: -122.079 flat angles P-C4'-P energy: -63.713 tors. eta vs tors. theta energy: -136.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1623.861709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.861709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.861709 (E_RNA) where: Base-Base interactions energy: -1109.310 where: short stacking energy: -484.182 Base-Backbone interact. energy: -2.489 local terms energy: -512.062205 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -96.331 flat angles C4'-P-C4' energy: -107.300 flat angles P-C4'-P energy: -79.660 tors. eta vs tors. theta energy: -134.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1556.265268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.265268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.265268 (E_RNA) where: Base-Base interactions energy: -1056.684 where: short stacking energy: -448.525 Base-Backbone interact. energy: 1.695 local terms energy: -501.276859 where: bonds (distance) C4'-P energy: -90.332 bonds (distance) P-C4' energy: -99.785 flat angles C4'-P-C4' energy: -112.796 flat angles P-C4'-P energy: -73.713 tors. eta vs tors. theta energy: -124.652 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: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1472.458395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.458395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.458395 (E_RNA) where: Base-Base interactions energy: -1000.925 where: short stacking energy: -423.272 Base-Backbone interact. energy: -2.553 local terms energy: -468.980026 where: bonds (distance) C4'-P energy: -102.744 bonds (distance) P-C4' energy: -85.344 flat angles C4'-P-C4' energy: -102.766 flat angles P-C4'-P energy: -62.371 tors. eta vs tors. theta energy: -115.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1157.742647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.742647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.742647 (E_RNA) where: Base-Base interactions energy: -735.102 where: short stacking energy: -338.809 Base-Backbone interact. energy: -0.745 local terms energy: -421.895864 where: bonds (distance) C4'-P energy: -75.043 bonds (distance) P-C4' energy: -102.596 flat angles C4'-P-C4' energy: -102.886 flat angles P-C4'-P energy: -69.732 tors. eta vs tors. theta energy: -71.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -843.103731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.103731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.103731 (E_RNA) where: Base-Base interactions energy: -475.371 where: short stacking energy: -238.069 Base-Backbone interact. energy: 3.005 local terms energy: -370.737706 where: bonds (distance) C4'-P energy: -93.069 bonds (distance) P-C4' energy: -98.095 flat angles C4'-P-C4' energy: -96.145 flat angles P-C4'-P energy: -54.779 tors. eta vs tors. theta energy: -28.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -429.185998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.185998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.185998 (E_RNA) where: Base-Base interactions energy: -147.538 where: short stacking energy: -110.603 Base-Backbone interact. energy: -1.462 local terms energy: -280.186012 where: bonds (distance) C4'-P energy: -94.353 bonds (distance) P-C4' energy: -84.118 flat angles C4'-P-C4' energy: -73.596 flat angles P-C4'-P energy: -44.349 tors. eta vs tors. theta energy: 16.229 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: 7 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1922.377839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.377839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.377839 (E_RNA) where: Base-Base interactions energy: -1342.355 where: short stacking energy: -582.012 Base-Backbone interact. energy: 1.710 local terms energy: -581.732461 where: bonds (distance) C4'-P energy: -112.502 bonds (distance) P-C4' energy: -99.467 flat angles C4'-P-C4' energy: -120.465 flat angles P-C4'-P energy: -81.048 tors. eta vs tors. theta energy: -168.250 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: 481 Temperature: 0.950000 Total energy: -1893.000510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.000510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.000510 (E_RNA) where: Base-Base interactions energy: -1295.570 where: short stacking energy: -572.500 Base-Backbone interact. energy: 0.128 local terms energy: -597.557570 where: bonds (distance) C4'-P energy: -105.252 bonds (distance) P-C4' energy: -113.293 flat angles C4'-P-C4' energy: -120.259 flat angles P-C4'-P energy: -83.687 tors. eta vs tors. theta energy: -175.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1772.411486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.411486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.411486 (E_RNA) where: Base-Base interactions energy: -1203.087 where: short stacking energy: -523.681 Base-Backbone interact. energy: 0.207 local terms energy: -569.531710 where: bonds (distance) C4'-P energy: -115.465 bonds (distance) P-C4' energy: -115.789 flat angles C4'-P-C4' energy: -118.828 flat angles P-C4'-P energy: -73.732 tors. eta vs tors. theta energy: -145.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1628.974623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.974623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.974623 (E_RNA) where: Base-Base interactions energy: -1103.410 where: short stacking energy: -475.622 Base-Backbone interact. energy: -2.159 local terms energy: -523.405893 where: bonds (distance) C4'-P energy: -96.577 bonds (distance) P-C4' energy: -116.453 flat angles C4'-P-C4' energy: -101.568 flat angles P-C4'-P energy: -74.342 tors. eta vs tors. theta energy: -134.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1606.747239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.747239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.747239 (E_RNA) where: Base-Base interactions energy: -1109.502 where: short stacking energy: -462.589 Base-Backbone interact. energy: 2.164 local terms energy: -499.409786 where: bonds (distance) C4'-P energy: -92.685 bonds (distance) P-C4' energy: -102.848 flat angles C4'-P-C4' energy: -111.817 flat angles P-C4'-P energy: -62.435 tors. eta vs tors. theta energy: -129.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1525.929071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.929071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.929071 (E_RNA) where: Base-Base interactions energy: -1019.488 where: short stacking energy: -455.610 Base-Backbone interact. energy: -1.018 local terms energy: -505.423034 where: bonds (distance) C4'-P energy: -97.252 bonds (distance) P-C4' energy: -93.761 flat angles C4'-P-C4' energy: -105.349 flat angles P-C4'-P energy: -79.090 tors. eta vs tors. theta energy: -129.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1519.453051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.453051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.453051 (E_RNA) where: Base-Base interactions energy: -1067.001 where: short stacking energy: -428.702 Base-Backbone interact. energy: -1.545 local terms energy: -450.906606 where: bonds (distance) C4'-P energy: -80.371 bonds (distance) P-C4' energy: -88.812 flat angles C4'-P-C4' energy: -95.963 flat angles P-C4'-P energy: -62.811 tors. eta vs tors. theta energy: -122.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1168.095374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.095374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.095374 (E_RNA) where: Base-Base interactions energy: -762.053 where: short stacking energy: -313.027 Base-Backbone interact. energy: -0.611 local terms energy: -405.431492 where: bonds (distance) C4'-P energy: -92.498 bonds (distance) P-C4' energy: -92.935 flat angles C4'-P-C4' energy: -89.403 flat angles P-C4'-P energy: -59.024 tors. eta vs tors. theta energy: -71.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -896.747940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.747940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.747940 (E_RNA) where: Base-Base interactions energy: -524.430 where: short stacking energy: -247.497 Base-Backbone interact. energy: -2.098 local terms energy: -370.219819 where: bonds (distance) C4'-P energy: -89.698 bonds (distance) P-C4' energy: -102.996 flat angles C4'-P-C4' energy: -85.542 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -43.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -488.976543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.976543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.976543 (E_RNA) where: Base-Base interactions energy: -196.965 where: short stacking energy: -145.273 Base-Backbone interact. energy: 0.328 local terms energy: -292.339350 where: bonds (distance) C4'-P energy: -93.931 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -73.447 flat angles P-C4'-P energy: -52.436 tors. eta vs tors. theta energy: 21.689 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: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1945.279487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.279487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.279487 (E_RNA) where: Base-Base interactions energy: -1339.996 where: short stacking energy: -571.489 Base-Backbone interact. energy: 3.587 local terms energy: -608.870168 where: bonds (distance) C4'-P energy: -115.517 bonds (distance) P-C4' energy: -117.695 flat angles C4'-P-C4' energy: -125.761 flat angles P-C4'-P energy: -80.501 tors. eta vs tors. theta energy: -169.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1863.055890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.055890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.055890 (E_RNA) where: Base-Base interactions energy: -1263.433 where: short stacking energy: -558.872 Base-Backbone interact. energy: -2.866 local terms energy: -596.757771 where: bonds (distance) C4'-P energy: -106.193 bonds (distance) P-C4' energy: -113.394 flat angles C4'-P-C4' energy: -109.826 flat angles P-C4'-P energy: -87.765 tors. eta vs tors. theta energy: -179.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1793.357585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.357585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.357585 (E_RNA) where: Base-Base interactions energy: -1234.032 where: short stacking energy: -538.723 Base-Backbone interact. energy: -2.497 local terms energy: -556.828681 where: bonds (distance) C4'-P energy: -104.041 bonds (distance) P-C4' energy: -101.503 flat angles C4'-P-C4' energy: -121.693 flat angles P-C4'-P energy: -80.198 tors. eta vs tors. theta energy: -149.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1625.820394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.820394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.820394 (E_RNA) where: Base-Base interactions energy: -1123.259 where: short stacking energy: -478.299 Base-Backbone interact. energy: -1.702 local terms energy: -500.860142 where: bonds (distance) C4'-P energy: -110.222 bonds (distance) P-C4' energy: -84.255 flat angles C4'-P-C4' energy: -100.204 flat angles P-C4'-P energy: -72.149 tors. eta vs tors. theta energy: -134.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1637.120870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.120870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.120870 (E_RNA) where: Base-Base interactions energy: -1120.604 where: short stacking energy: -481.516 Base-Backbone interact. energy: -2.615 local terms energy: -513.901860 where: bonds (distance) C4'-P energy: -101.958 bonds (distance) P-C4' energy: -86.979 flat angles C4'-P-C4' energy: -112.564 flat angles P-C4'-P energy: -74.262 tors. eta vs tors. theta energy: -138.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1550.826688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.826688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.826688 (E_RNA) where: Base-Base interactions energy: -1049.798 where: short stacking energy: -458.702 Base-Backbone interact. energy: -1.325 local terms energy: -499.703769 where: bonds (distance) C4'-P energy: -100.031 bonds (distance) P-C4' energy: -92.361 flat angles C4'-P-C4' energy: -108.715 flat angles P-C4'-P energy: -75.678 tors. eta vs tors. theta energy: -122.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1455.960243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.960243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.960243 (E_RNA) where: Base-Base interactions energy: -994.591 where: short stacking energy: -423.440 Base-Backbone interact. energy: 1.324 local terms energy: -462.693044 where: bonds (distance) C4'-P energy: -108.827 bonds (distance) P-C4' energy: -82.675 flat angles C4'-P-C4' energy: -96.152 flat angles P-C4'-P energy: -62.573 tors. eta vs tors. theta energy: -112.467 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: 482 Temperature: 1.250000 Total energy: -1203.399699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.399699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.399699 (E_RNA) where: Base-Base interactions energy: -770.281 where: short stacking energy: -348.422 Base-Backbone interact. energy: 0.345 local terms energy: -433.463314 where: bonds (distance) C4'-P energy: -86.755 bonds (distance) P-C4' energy: -115.730 flat angles C4'-P-C4' energy: -88.542 flat angles P-C4'-P energy: -72.596 tors. eta vs tors. theta energy: -69.840 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: 9 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -884.131665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.131665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.131665 (E_RNA) where: Base-Base interactions energy: -565.178 where: short stacking energy: -268.219 Base-Backbone interact. energy: 2.234 local terms energy: -321.187187 where: bonds (distance) C4'-P energy: -77.418 bonds (distance) P-C4' energy: -86.785 flat angles C4'-P-C4' energy: -70.350 flat angles P-C4'-P energy: -50.292 tors. eta vs tors. theta energy: -36.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -502.019930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.019930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.019930 (E_RNA) where: Base-Base interactions energy: -198.601 where: short stacking energy: -146.409 Base-Backbone interact. energy: 1.176 local terms energy: -304.595215 where: bonds (distance) C4'-P energy: -73.851 bonds (distance) P-C4' energy: -102.818 flat angles C4'-P-C4' energy: -82.760 flat angles P-C4'-P energy: -38.758 tors. eta vs tors. theta energy: -6.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1934.254469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.254469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.254469 (E_RNA) where: Base-Base interactions energy: -1324.082 where: short stacking energy: -585.532 Base-Backbone interact. energy: -3.482 local terms energy: -606.689832 where: bonds (distance) C4'-P energy: -116.115 bonds (distance) P-C4' energy: -103.730 flat angles C4'-P-C4' energy: -116.648 flat angles P-C4'-P energy: -97.353 tors. eta vs tors. theta energy: -172.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1876.367797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.367797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.367797 (E_RNA) where: Base-Base interactions energy: -1282.215 where: short stacking energy: -565.961 Base-Backbone interact. energy: -4.480 local terms energy: -589.672402 where: bonds (distance) C4'-P energy: -112.563 bonds (distance) P-C4' energy: -107.435 flat angles C4'-P-C4' energy: -117.118 flat angles P-C4'-P energy: -83.296 tors. eta vs tors. theta energy: -169.261 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: 3, replica: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1763.033531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.033531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.033531 (E_RNA) where: Base-Base interactions energy: -1204.044 where: short stacking energy: -515.676 Base-Backbone interact. energy: -1.475 local terms energy: -557.515178 where: bonds (distance) C4'-P energy: -106.514 bonds (distance) P-C4' energy: -108.448 flat angles C4'-P-C4' energy: -122.099 flat angles P-C4'-P energy: -69.089 tors. eta vs tors. theta energy: -151.365 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: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1667.813842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.813842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.813842 (E_RNA) where: Base-Base interactions energy: -1131.507 where: short stacking energy: -487.133 Base-Backbone interact. energy: -3.115 local terms energy: -533.191744 where: bonds (distance) C4'-P energy: -111.909 bonds (distance) P-C4' energy: -101.520 flat angles C4'-P-C4' energy: -104.153 flat angles P-C4'-P energy: -82.040 tors. eta vs tors. theta energy: -133.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1622.418859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.418859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.418859 (E_RNA) where: Base-Base interactions energy: -1122.009 where: short stacking energy: -484.150 Base-Backbone interact. energy: -0.971 local terms energy: -499.438002 where: bonds (distance) C4'-P energy: -76.803 bonds (distance) P-C4' energy: -89.797 flat angles C4'-P-C4' energy: -116.825 flat angles P-C4'-P energy: -72.877 tors. eta vs tors. theta energy: -143.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1558.890633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.890633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.890633 (E_RNA) where: Base-Base interactions energy: -1077.146 where: short stacking energy: -465.660 Base-Backbone interact. energy: -2.835 local terms energy: -478.909683 where: bonds (distance) C4'-P energy: -99.051 bonds (distance) P-C4' energy: -80.901 flat angles C4'-P-C4' energy: -112.084 flat angles P-C4'-P energy: -56.706 tors. eta vs tors. theta energy: -130.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1491.965083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.965083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.965083 (E_RNA) where: Base-Base interactions energy: -1036.951 where: short stacking energy: -443.318 Base-Backbone interact. energy: -0.033 local terms energy: -454.980777 where: bonds (distance) C4'-P energy: -89.188 bonds (distance) P-C4' energy: -105.790 flat angles C4'-P-C4' energy: -83.837 flat angles P-C4'-P energy: -56.130 tors. eta vs tors. theta energy: -120.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1202.626394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.626394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.626394 (E_RNA) where: Base-Base interactions energy: -787.581 where: short stacking energy: -349.887 Base-Backbone interact. energy: 1.388 local terms energy: -416.433885 where: bonds (distance) C4'-P energy: -77.033 bonds (distance) P-C4' energy: -102.917 flat angles C4'-P-C4' energy: -105.890 flat angles P-C4'-P energy: -50.282 tors. eta vs tors. theta energy: -80.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -965.666875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.666875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.666875 (E_RNA) where: Base-Base interactions energy: -562.256 where: short stacking energy: -266.730 Base-Backbone interact. energy: -3.613 local terms energy: -399.797558 where: bonds (distance) C4'-P energy: -94.989 bonds (distance) P-C4' energy: -94.807 flat angles C4'-P-C4' energy: -112.381 flat angles P-C4'-P energy: -47.782 tors. eta vs tors. theta energy: -49.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -492.103077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.103077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.103077 (E_RNA) where: Base-Base interactions energy: -226.661 where: short stacking energy: -152.490 Base-Backbone interact. energy: 1.250 local terms energy: -266.691742 where: bonds (distance) C4'-P energy: -98.891 bonds (distance) P-C4' energy: -81.465 flat angles C4'-P-C4' energy: -55.490 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: 13.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1909.301375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.301375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.301375 (E_RNA) where: Base-Base interactions energy: -1303.933 where: short stacking energy: -567.396 Base-Backbone interact. energy: -2.264 local terms energy: -603.104250 where: bonds (distance) C4'-P energy: -113.965 bonds (distance) P-C4' energy: -120.561 flat angles C4'-P-C4' energy: -130.977 flat angles P-C4'-P energy: -75.933 tors. eta vs tors. theta energy: -161.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1854.844999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.844999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.844999 (E_RNA) where: Base-Base interactions energy: -1276.441 where: short stacking energy: -564.865 Base-Backbone interact. energy: -2.077 local terms energy: -576.326877 where: bonds (distance) C4'-P energy: -68.439 bonds (distance) P-C4' energy: -111.544 flat angles C4'-P-C4' energy: -132.808 flat angles P-C4'-P energy: -89.645 tors. eta vs tors. theta energy: -173.891 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: 10 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1761.145411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.145411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.145411 (E_RNA) where: Base-Base interactions energy: -1197.289 where: short stacking energy: -509.240 Base-Backbone interact. energy: -1.093 local terms energy: -562.763041 where: bonds (distance) C4'-P energy: -105.106 bonds (distance) P-C4' energy: -115.882 flat angles C4'-P-C4' energy: -115.491 flat angles P-C4'-P energy: -73.566 tors. eta vs tors. theta energy: -152.718 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: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1720.121212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.121212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.121212 (E_RNA) where: Base-Base interactions energy: -1169.764 where: short stacking energy: -491.535 Base-Backbone interact. energy: -2.421 local terms energy: -547.935845 where: bonds (distance) C4'-P energy: -107.632 bonds (distance) P-C4' energy: -101.203 flat angles C4'-P-C4' energy: -120.417 flat angles P-C4'-P energy: -79.379 tors. eta vs tors. theta energy: -139.305 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: 484 Temperature: 1.100000 Total energy: -1582.832487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.832487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.832487 (E_RNA) where: Base-Base interactions energy: -1087.761 where: short stacking energy: -468.953 Base-Backbone interact. energy: -0.145 local terms energy: -494.926237 where: bonds (distance) C4'-P energy: -100.847 bonds (distance) P-C4' energy: -101.643 flat angles C4'-P-C4' energy: -97.625 flat angles P-C4'-P energy: -64.617 tors. eta vs tors. theta energy: -130.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1512.283534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.283534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.283534 (E_RNA) where: Base-Base interactions energy: -1003.139 where: short stacking energy: -433.645 Base-Backbone interact. energy: -1.418 local terms energy: -507.726954 where: bonds (distance) C4'-P energy: -107.455 bonds (distance) P-C4' energy: -107.527 flat angles C4'-P-C4' energy: -96.773 flat angles P-C4'-P energy: -60.260 tors. eta vs tors. theta energy: -135.711 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: 4 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1489.990470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.990470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.990470 (E_RNA) where: Base-Base interactions energy: -1048.653 where: short stacking energy: -448.831 Base-Backbone interact. energy: 1.892 local terms energy: -443.228773 where: bonds (distance) C4'-P energy: -74.055 bonds (distance) P-C4' energy: -76.935 flat angles C4'-P-C4' energy: -103.870 flat angles P-C4'-P energy: -67.608 tors. eta vs tors. theta energy: -120.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1251.717941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.717941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.717941 (E_RNA) where: Base-Base interactions energy: -814.025 where: short stacking energy: -386.531 Base-Backbone interact. energy: -1.972 local terms energy: -435.720182 where: bonds (distance) C4'-P energy: -93.677 bonds (distance) P-C4' energy: -78.069 flat angles C4'-P-C4' energy: -109.643 flat angles P-C4'-P energy: -55.105 tors. eta vs tors. theta energy: -99.227 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: 9 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -895.571382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.571382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.571382 (E_RNA) where: Base-Base interactions energy: -549.380 where: short stacking energy: -257.539 Base-Backbone interact. energy: -0.980 local terms energy: -345.210871 where: bonds (distance) C4'-P energy: -82.050 bonds (distance) P-C4' energy: -78.353 flat angles C4'-P-C4' energy: -74.669 flat angles P-C4'-P energy: -57.124 tors. eta vs tors. theta energy: -53.015 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: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -507.121388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.121388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.121388 (E_RNA) where: Base-Base interactions energy: -220.582 where: short stacking energy: -134.489 Base-Backbone interact. energy: -2.413 local terms energy: -284.126117 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -72.442 flat angles C4'-P-C4' energy: -72.373 flat angles P-C4'-P energy: -48.135 tors. eta vs tors. theta energy: 6.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1881.314061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.314061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.314061 (E_RNA) where: Base-Base interactions energy: -1292.494 where: short stacking energy: -580.026 Base-Backbone interact. energy: -4.420 local terms energy: -584.399307 where: bonds (distance) C4'-P energy: -100.696 bonds (distance) P-C4' energy: -112.549 flat angles C4'-P-C4' energy: -118.658 flat angles P-C4'-P energy: -91.139 tors. eta vs tors. theta energy: -161.358 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: 2, replica: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1868.243566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.243566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.243566 (E_RNA) where: Base-Base interactions energy: -1294.695 where: short stacking energy: -551.762 Base-Backbone interact. energy: -3.132 local terms energy: -570.415895 where: bonds (distance) C4'-P energy: -90.677 bonds (distance) P-C4' energy: -112.800 flat angles C4'-P-C4' energy: -121.884 flat angles P-C4'-P energy: -80.572 tors. eta vs tors. theta energy: -164.483 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: 3, replica: 10 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1752.872317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.872317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.872317 (E_RNA) where: Base-Base interactions energy: -1196.013 where: short stacking energy: -526.796 Base-Backbone interact. energy: -1.333 local terms energy: -555.526060 where: bonds (distance) C4'-P energy: -99.999 bonds (distance) P-C4' energy: -107.945 flat angles C4'-P-C4' energy: -117.229 flat angles P-C4'-P energy: -83.286 tors. eta vs tors. theta energy: -147.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1688.858495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.858495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.858495 (E_RNA) where: Base-Base interactions energy: -1156.823 where: short stacking energy: -467.310 Base-Backbone interact. energy: -3.505 local terms energy: -528.530758 where: bonds (distance) C4'-P energy: -102.007 bonds (distance) P-C4' energy: -96.486 flat angles C4'-P-C4' energy: -112.636 flat angles P-C4'-P energy: -77.912 tors. eta vs tors. theta energy: -139.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1573.928334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.928334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.928334 (E_RNA) where: Base-Base interactions energy: -1069.806 where: short stacking energy: -471.302 Base-Backbone interact. energy: 9.818 local terms energy: -513.940286 where: bonds (distance) C4'-P energy: -103.883 bonds (distance) P-C4' energy: -100.422 flat angles C4'-P-C4' energy: -105.329 flat angles P-C4'-P energy: -76.546 tors. eta vs tors. theta energy: -127.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1505.551450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.551450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.551450 (E_RNA) where: Base-Base interactions energy: -1027.688 where: short stacking energy: -448.935 Base-Backbone interact. energy: -0.739 local terms energy: -477.123725 where: bonds (distance) C4'-P energy: -93.157 bonds (distance) P-C4' energy: -93.130 flat angles C4'-P-C4' energy: -103.977 flat angles P-C4'-P energy: -65.809 tors. eta vs tors. theta energy: -121.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1468.982678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.982678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.982678 (E_RNA) where: Base-Base interactions energy: -996.643 where: short stacking energy: -429.019 Base-Backbone interact. energy: -3.415 local terms energy: -468.924012 where: bonds (distance) C4'-P energy: -89.178 bonds (distance) P-C4' energy: -77.826 flat angles C4'-P-C4' energy: -102.759 flat angles P-C4'-P energy: -85.729 tors. eta vs tors. theta energy: -113.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1214.824509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.824509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.824509 (E_RNA) where: Base-Base interactions energy: -750.106 where: short stacking energy: -335.556 Base-Backbone interact. energy: -1.182 local terms energy: -463.536204 where: bonds (distance) C4'-P energy: -111.806 bonds (distance) P-C4' energy: -105.627 flat angles C4'-P-C4' energy: -95.550 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -87.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -916.223958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.223958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.223958 (E_RNA) where: Base-Base interactions energy: -555.971 where: short stacking energy: -264.574 Base-Backbone interact. energy: 0.185 local terms energy: -360.437984 where: bonds (distance) C4'-P energy: -77.554 bonds (distance) P-C4' energy: -82.908 flat angles C4'-P-C4' energy: -103.394 flat angles P-C4'-P energy: -52.252 tors. eta vs tors. theta energy: -44.330 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: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -515.144722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.144722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.144722 (E_RNA) where: Base-Base interactions energy: -244.601 where: short stacking energy: -169.079 Base-Backbone interact. energy: 4.845 local terms energy: -275.389003 where: bonds (distance) C4'-P energy: -72.299 bonds (distance) P-C4' energy: -102.352 flat angles C4'-P-C4' energy: -51.753 flat angles P-C4'-P energy: -49.022 tors. eta vs tors. theta energy: 0.037 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: 5 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1904.044474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.044474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.044474 (E_RNA) where: Base-Base interactions energy: -1292.439 where: short stacking energy: -556.514 Base-Backbone interact. energy: -2.490 local terms energy: -609.114730 where: bonds (distance) C4'-P energy: -112.610 bonds (distance) P-C4' energy: -107.043 flat angles C4'-P-C4' energy: -124.829 flat angles P-C4'-P energy: -87.067 tors. eta vs tors. theta energy: -177.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1874.974644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.974644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.974644 (E_RNA) where: Base-Base interactions energy: -1290.347 where: short stacking energy: -541.078 Base-Backbone interact. energy: -0.886 local terms energy: -583.741508 where: bonds (distance) C4'-P energy: -117.926 bonds (distance) P-C4' energy: -106.188 flat angles C4'-P-C4' energy: -119.025 flat angles P-C4'-P energy: -76.921 tors. eta vs tors. theta energy: -163.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1770.356873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.356873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.356873 (E_RNA) where: Base-Base interactions energy: -1204.091 where: short stacking energy: -542.761 Base-Backbone interact. energy: -1.805 local terms energy: -564.460875 where: bonds (distance) C4'-P energy: -110.888 bonds (distance) P-C4' energy: -110.374 flat angles C4'-P-C4' energy: -115.568 flat angles P-C4'-P energy: -76.342 tors. eta vs tors. theta energy: -151.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1659.032227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.032227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.032227 (E_RNA) where: Base-Base interactions energy: -1156.551 where: short stacking energy: -497.063 Base-Backbone interact. energy: -2.550 local terms energy: -499.931743 where: bonds (distance) C4'-P energy: -90.577 bonds (distance) P-C4' energy: -96.431 flat angles C4'-P-C4' energy: -108.270 flat angles P-C4'-P energy: -75.421 tors. eta vs tors. theta energy: -129.233 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: 2 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1624.380629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.380629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.380629 (E_RNA) where: Base-Base interactions energy: -1130.656 where: short stacking energy: -485.887 Base-Backbone interact. energy: -1.191 local terms energy: -492.533363 where: bonds (distance) C4'-P energy: -97.814 bonds (distance) P-C4' energy: -87.661 flat angles C4'-P-C4' energy: -102.018 flat angles P-C4'-P energy: -73.426 tors. eta vs tors. theta energy: -131.614 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: 6 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1561.503893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.503893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.503893 (E_RNA) where: Base-Base interactions energy: -1049.422 where: short stacking energy: -450.579 Base-Backbone interact. energy: -2.866 local terms energy: -509.215447 where: bonds (distance) C4'-P energy: -93.270 bonds (distance) P-C4' energy: -104.093 flat angles C4'-P-C4' energy: -107.947 flat angles P-C4'-P energy: -67.886 tors. eta vs tors. theta energy: -136.019 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: 7, replica: 4 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1511.052148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.052148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.052148 (E_RNA) where: Base-Base interactions energy: -1050.267 where: short stacking energy: -446.992 Base-Backbone interact. energy: 4.140 local terms energy: -464.925980 where: bonds (distance) C4'-P energy: -78.070 bonds (distance) P-C4' energy: -98.762 flat angles C4'-P-C4' energy: -105.048 flat angles P-C4'-P energy: -62.482 tors. eta vs tors. theta energy: -120.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1189.157646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.157646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.157646 (E_RNA) where: Base-Base interactions energy: -766.851 where: short stacking energy: -332.925 Base-Backbone interact. energy: -0.619 local terms energy: -421.688220 where: bonds (distance) C4'-P energy: -82.588 bonds (distance) P-C4' energy: -87.809 flat angles C4'-P-C4' energy: -108.199 flat angles P-C4'-P energy: -60.231 tors. eta vs tors. theta energy: -82.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -872.418619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.418619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.418619 (E_RNA) where: Base-Base interactions energy: -527.996 where: short stacking energy: -254.667 Base-Backbone interact. energy: -1.214 local terms energy: -343.208129 where: bonds (distance) C4'-P energy: -78.182 bonds (distance) P-C4' energy: -89.146 flat angles C4'-P-C4' energy: -74.206 flat angles P-C4'-P energy: -67.361 tors. eta vs tors. theta energy: -34.313 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: 8 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -488.303738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.303738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.303738 (E_RNA) where: Base-Base interactions energy: -206.965 where: short stacking energy: -122.993 Base-Backbone interact. energy: 1.554 local terms energy: -282.892468 where: bonds (distance) C4'-P energy: -94.100 bonds (distance) P-C4' energy: -88.419 flat angles C4'-P-C4' energy: -67.286 flat angles P-C4'-P energy: -43.536 tors. eta vs tors. theta energy: 10.449 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: 5 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1908.472693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.472693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.472693 (E_RNA) where: Base-Base interactions energy: -1287.121 where: short stacking energy: -578.311 Base-Backbone interact. energy: -3.074 local terms energy: -618.277408 where: bonds (distance) C4'-P energy: -95.426 bonds (distance) P-C4' energy: -115.116 flat angles C4'-P-C4' energy: -126.295 flat angles P-C4'-P energy: -96.864 tors. eta vs tors. theta energy: -184.576 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: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1907.732437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.732437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.732437 (E_RNA) where: Base-Base interactions energy: -1324.584 where: short stacking energy: -564.376 Base-Backbone interact. energy: -1.321 local terms energy: -581.827576 where: bonds (distance) C4'-P energy: -113.439 bonds (distance) P-C4' energy: -107.947 flat angles C4'-P-C4' energy: -116.328 flat angles P-C4'-P energy: -82.449 tors. eta vs tors. theta energy: -161.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1759.244812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.244812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.244812 (E_RNA) where: Base-Base interactions energy: -1198.600 where: short stacking energy: -542.906 Base-Backbone interact. energy: -0.403 local terms energy: -560.241389 where: bonds (distance) C4'-P energy: -100.208 bonds (distance) P-C4' energy: -107.532 flat angles C4'-P-C4' energy: -116.338 flat angles P-C4'-P energy: -80.520 tors. eta vs tors. theta energy: -155.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1648.274470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.274470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.274470 (E_RNA) where: Base-Base interactions energy: -1142.041 where: short stacking energy: -519.874 Base-Backbone interact. energy: -0.305 local terms energy: -505.928037 where: bonds (distance) C4'-P energy: -94.453 bonds (distance) P-C4' energy: -87.054 flat angles C4'-P-C4' energy: -115.565 flat angles P-C4'-P energy: -71.613 tors. eta vs tors. theta energy: -137.242 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: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1636.445239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.445239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.445239 (E_RNA) where: Base-Base interactions energy: -1113.458 where: short stacking energy: -481.353 Base-Backbone interact. energy: -1.958 local terms energy: -521.029182 where: bonds (distance) C4'-P energy: -96.779 bonds (distance) P-C4' energy: -88.988 flat angles C4'-P-C4' energy: -117.942 flat angles P-C4'-P energy: -74.956 tors. eta vs tors. theta energy: -142.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1499.454244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.454244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.454244 (E_RNA) where: Base-Base interactions energy: -1018.775 where: short stacking energy: -410.879 Base-Backbone interact. energy: 1.361 local terms energy: -482.040418 where: bonds (distance) C4'-P energy: -95.272 bonds (distance) P-C4' energy: -94.661 flat angles C4'-P-C4' energy: -97.513 flat angles P-C4'-P energy: -71.598 tors. eta vs tors. theta energy: -122.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1494.751535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.751535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.751535 (E_RNA) where: Base-Base interactions energy: -1037.982 where: short stacking energy: -450.638 Base-Backbone interact. energy: -1.234 local terms energy: -455.535243 where: bonds (distance) C4'-P energy: -71.281 bonds (distance) P-C4' energy: -86.881 flat angles C4'-P-C4' energy: -103.656 flat angles P-C4'-P energy: -73.806 tors. eta vs tors. theta energy: -119.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1183.684579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.684579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.684579 (E_RNA) where: Base-Base interactions energy: -758.061 where: short stacking energy: -331.905 Base-Backbone interact. energy: -1.789 local terms energy: -423.834585 where: bonds (distance) C4'-P energy: -83.074 bonds (distance) P-C4' energy: -90.737 flat angles C4'-P-C4' energy: -110.409 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -82.827 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: 487 Temperature: 1.300000 Total energy: -918.019257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.019257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.019257 (E_RNA) where: Base-Base interactions energy: -557.636 where: short stacking energy: -263.070 Base-Backbone interact. energy: -3.366 local terms energy: -357.017870 where: bonds (distance) C4'-P energy: -83.738 bonds (distance) P-C4' energy: -88.150 flat angles C4'-P-C4' energy: -89.441 flat angles P-C4'-P energy: -58.460 tors. eta vs tors. theta energy: -37.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -538.886765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.886765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.886765 (E_RNA) where: Base-Base interactions energy: -228.219 where: short stacking energy: -176.445 Base-Backbone interact. energy: -1.922 local terms energy: -308.745800 where: bonds (distance) C4'-P energy: -82.754 bonds (distance) P-C4' energy: -93.504 flat angles C4'-P-C4' energy: -72.517 flat angles P-C4'-P energy: -48.090 tors. eta vs tors. theta energy: -11.880 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: 1, replica: 5 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1900.593860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.593860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.593860 (E_RNA) where: Base-Base interactions energy: -1264.628 where: short stacking energy: -587.202 Base-Backbone interact. energy: -4.082 local terms energy: -631.883344 where: bonds (distance) C4'-P energy: -115.463 bonds (distance) P-C4' energy: -117.461 flat angles C4'-P-C4' energy: -135.389 flat angles P-C4'-P energy: -85.546 tors. eta vs tors. theta energy: -178.024 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: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1907.350641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.350641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.350641 (E_RNA) where: Base-Base interactions energy: -1313.599 where: short stacking energy: -563.518 Base-Backbone interact. energy: -3.905 local terms energy: -589.846939 where: bonds (distance) C4'-P energy: -111.266 bonds (distance) P-C4' energy: -104.416 flat angles C4'-P-C4' energy: -123.119 flat angles P-C4'-P energy: -86.079 tors. eta vs tors. theta energy: -164.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1783.542454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.542454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.542454 (E_RNA) where: Base-Base interactions energy: -1206.378 where: short stacking energy: -535.788 Base-Backbone interact. energy: 0.593 local terms energy: -577.756960 where: bonds (distance) C4'-P energy: -96.109 bonds (distance) P-C4' energy: -104.990 flat angles C4'-P-C4' energy: -123.859 flat angles P-C4'-P energy: -85.493 tors. eta vs tors. theta energy: -167.305 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: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1665.960426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.960426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.960426 (E_RNA) where: Base-Base interactions energy: -1145.593 where: short stacking energy: -512.069 Base-Backbone interact. energy: -1.030 local terms energy: -519.337542 where: bonds (distance) C4'-P energy: -101.782 bonds (distance) P-C4' energy: -99.177 flat angles C4'-P-C4' energy: -117.528 flat angles P-C4'-P energy: -66.363 tors. eta vs tors. theta energy: -134.488 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1646.765693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.765693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.765693 (E_RNA) where: Base-Base interactions energy: -1124.091 where: short stacking energy: -451.821 Base-Backbone interact. energy: -2.097 local terms energy: -520.577900 where: bonds (distance) C4'-P energy: -84.596 bonds (distance) P-C4' energy: -100.842 flat angles C4'-P-C4' energy: -114.874 flat angles P-C4'-P energy: -86.673 tors. eta vs tors. theta energy: -133.593 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: 6, replica: 6 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1521.058681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.058681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.058681 (E_RNA) where: Base-Base interactions energy: -1017.202 where: short stacking energy: -423.103 Base-Backbone interact. energy: -0.500 local terms energy: -503.357444 where: bonds (distance) C4'-P energy: -96.215 bonds (distance) P-C4' energy: -111.234 flat angles C4'-P-C4' energy: -108.242 flat angles P-C4'-P energy: -66.610 tors. eta vs tors. theta energy: -121.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1469.743340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.743340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.743340 (E_RNA) where: Base-Base interactions energy: -1030.993 where: short stacking energy: -424.284 Base-Backbone interact. energy: 0.478 local terms energy: -439.228715 where: bonds (distance) C4'-P energy: -71.244 bonds (distance) P-C4' energy: -78.279 flat angles C4'-P-C4' energy: -97.907 flat angles P-C4'-P energy: -73.275 tors. eta vs tors. theta energy: -118.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1181.066576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.066576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.066576 (E_RNA) where: Base-Base interactions energy: -760.667 where: short stacking energy: -336.906 Base-Backbone interact. energy: 5.680 local terms energy: -426.080128 where: bonds (distance) C4'-P energy: -85.604 bonds (distance) P-C4' energy: -98.932 flat angles C4'-P-C4' energy: -108.078 flat angles P-C4'-P energy: -63.156 tors. eta vs tors. theta energy: -70.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -933.349348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.349348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.349348 (E_RNA) where: Base-Base interactions energy: -595.922 where: short stacking energy: -259.368 Base-Backbone interact. energy: 3.738 local terms energy: -341.165825 where: bonds (distance) C4'-P energy: -85.466 bonds (distance) P-C4' energy: -95.751 flat angles C4'-P-C4' energy: -71.415 flat angles P-C4'-P energy: -51.848 tors. eta vs tors. theta energy: -36.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -508.988428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.988428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.988428 (E_RNA) where: Base-Base interactions energy: -227.062 where: short stacking energy: -140.658 Base-Backbone interact. energy: -1.145 local terms energy: -280.781794 where: bonds (distance) C4'-P energy: -81.393 bonds (distance) P-C4' energy: -81.133 flat angles C4'-P-C4' energy: -87.295 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: 14.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1880.541211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.541211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.541211 (E_RNA) where: Base-Base interactions energy: -1292.945 where: short stacking energy: -563.526 Base-Backbone interact. energy: -2.283 local terms energy: -585.313789 where: bonds (distance) C4'-P energy: -102.456 bonds (distance) P-C4' energy: -111.747 flat angles C4'-P-C4' energy: -124.628 flat angles P-C4'-P energy: -79.994 tors. eta vs tors. theta energy: -166.489 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: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1846.164420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.164420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.164420 (E_RNA) where: Base-Base interactions energy: -1258.117 where: short stacking energy: -547.330 Base-Backbone interact. energy: -1.187 local terms energy: -586.860213 where: bonds (distance) C4'-P energy: -100.373 bonds (distance) P-C4' energy: -114.950 flat angles C4'-P-C4' energy: -116.500 flat angles P-C4'-P energy: -82.115 tors. eta vs tors. theta energy: -172.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1823.742026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.742026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.742026 (E_RNA) where: Base-Base interactions energy: -1258.384 where: short stacking energy: -558.238 Base-Backbone interact. energy: -3.010 local terms energy: -562.347938 where: bonds (distance) C4'-P energy: -103.003 bonds (distance) P-C4' energy: -100.334 flat angles C4'-P-C4' energy: -116.191 flat angles P-C4'-P energy: -73.334 tors. eta vs tors. theta energy: -169.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1671.823137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.823137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.823137 (E_RNA) where: Base-Base interactions energy: -1115.048 where: short stacking energy: -488.154 Base-Backbone interact. energy: -3.413 local terms energy: -553.362822 where: bonds (distance) C4'-P energy: -114.833 bonds (distance) P-C4' energy: -104.900 flat angles C4'-P-C4' energy: -115.825 flat angles P-C4'-P energy: -75.816 tors. eta vs tors. theta energy: -141.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1635.981267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.981267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.981267 (E_RNA) where: Base-Base interactions energy: -1161.226 where: short stacking energy: -500.071 Base-Backbone interact. energy: 1.605 local terms energy: -476.359722 where: bonds (distance) C4'-P energy: -81.710 bonds (distance) P-C4' energy: -87.690 flat angles C4'-P-C4' energy: -110.015 flat angles P-C4'-P energy: -55.083 tors. eta vs tors. theta energy: -141.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1551.715525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.715525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.715525 (E_RNA) where: Base-Base interactions energy: -1062.895 where: short stacking energy: -459.757 Base-Backbone interact. energy: 0.893 local terms energy: -489.713325 where: bonds (distance) C4'-P energy: -100.220 bonds (distance) P-C4' energy: -91.498 flat angles C4'-P-C4' energy: -97.427 flat angles P-C4'-P energy: -63.203 tors. eta vs tors. theta energy: -137.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1492.385816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.385816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.385816 (E_RNA) where: Base-Base interactions energy: -1030.818 where: short stacking energy: -416.142 Base-Backbone interact. energy: -1.557 local terms energy: -460.011404 where: bonds (distance) C4'-P energy: -92.187 bonds (distance) P-C4' energy: -75.049 flat angles C4'-P-C4' energy: -99.252 flat angles P-C4'-P energy: -64.235 tors. eta vs tors. theta energy: -129.288 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: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1128.223245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.223245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.223245 (E_RNA) where: Base-Base interactions energy: -758.521 where: short stacking energy: -335.186 Base-Backbone interact. energy: 3.726 local terms energy: -373.428431 where: bonds (distance) C4'-P energy: -91.927 bonds (distance) P-C4' energy: -86.778 flat angles C4'-P-C4' energy: -69.535 flat angles P-C4'-P energy: -55.596 tors. eta vs tors. theta energy: -69.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -914.704897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.704897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.704897 (E_RNA) where: Base-Base interactions energy: -568.555 where: short stacking energy: -262.310 Base-Backbone interact. energy: 1.768 local terms energy: -347.918046 where: bonds (distance) C4'-P energy: -84.787 bonds (distance) P-C4' energy: -94.691 flat angles C4'-P-C4' energy: -72.672 flat angles P-C4'-P energy: -52.530 tors. eta vs tors. theta energy: -43.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -519.434026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.434026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.434026 (E_RNA) where: Base-Base interactions energy: -223.202 where: short stacking energy: -127.376 Base-Backbone interact. energy: 1.912 local terms energy: -298.144423 where: bonds (distance) C4'-P energy: -88.102 bonds (distance) P-C4' energy: -102.406 flat angles C4'-P-C4' energy: -75.175 flat angles P-C4'-P energy: -56.017 tors. eta vs tors. theta energy: 23.556 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: 5 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1910.413886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.413886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.413886 (E_RNA) where: Base-Base interactions energy: -1288.159 where: short stacking energy: -569.261 Base-Backbone interact. energy: -2.308 local terms energy: -619.946582 where: bonds (distance) C4'-P energy: -110.954 bonds (distance) P-C4' energy: -109.559 flat angles C4'-P-C4' energy: -131.807 flat angles P-C4'-P energy: -93.642 tors. eta vs tors. theta energy: -173.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1817.308932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.308932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.308932 (E_RNA) where: Base-Base interactions energy: -1251.612 where: short stacking energy: -533.092 Base-Backbone interact. energy: -3.339 local terms energy: -562.358564 where: bonds (distance) C4'-P energy: -104.465 bonds (distance) P-C4' energy: -96.204 flat angles C4'-P-C4' energy: -117.386 flat angles P-C4'-P energy: -86.168 tors. eta vs tors. theta energy: -158.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1829.034873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.034873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.034873 (E_RNA) where: Base-Base interactions energy: -1274.514 where: short stacking energy: -541.939 Base-Backbone interact. energy: -1.384 local terms energy: -553.136524 where: bonds (distance) C4'-P energy: -96.297 bonds (distance) P-C4' energy: -93.659 flat angles C4'-P-C4' energy: -112.593 flat angles P-C4'-P energy: -90.181 tors. eta vs tors. theta energy: -160.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1748.827411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.827411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.827411 (E_RNA) where: Base-Base interactions energy: -1189.609 where: short stacking energy: -527.083 Base-Backbone interact. energy: -0.802 local terms energy: -558.415519 where: bonds (distance) C4'-P energy: -108.461 bonds (distance) P-C4' energy: -87.567 flat angles C4'-P-C4' energy: -121.663 flat angles P-C4'-P energy: -83.169 tors. eta vs tors. theta energy: -157.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1657.526287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.526287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.526287 (E_RNA) where: Base-Base interactions energy: -1148.365 where: short stacking energy: -458.913 Base-Backbone interact. energy: -3.001 local terms energy: -506.159837 where: bonds (distance) C4'-P energy: -84.563 bonds (distance) P-C4' energy: -98.810 flat angles C4'-P-C4' energy: -112.922 flat angles P-C4'-P energy: -77.355 tors. eta vs tors. theta energy: -132.509 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: 490 Temperature: 1.150000 Total energy: -1531.837156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.837156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.837156 (E_RNA) where: Base-Base interactions energy: -1046.899 where: short stacking energy: -431.459 Base-Backbone interact. energy: -2.963 local terms energy: -481.975404 where: bonds (distance) C4'-P energy: -96.604 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -112.264 flat angles P-C4'-P energy: -69.564 tors. eta vs tors. theta energy: -117.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1512.392022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.392022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.392022 (E_RNA) where: Base-Base interactions energy: -1036.431 where: short stacking energy: -438.779 Base-Backbone interact. energy: -3.479 local terms energy: -472.482341 where: bonds (distance) C4'-P energy: -86.026 bonds (distance) P-C4' energy: -94.242 flat angles C4'-P-C4' energy: -101.994 flat angles P-C4'-P energy: -70.123 tors. eta vs tors. theta energy: -120.096 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: 490 Temperature: 1.250000 Total energy: -1165.245075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.245075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.245075 (E_RNA) where: Base-Base interactions energy: -781.464 where: short stacking energy: -328.851 Base-Backbone interact. energy: 0.918 local terms energy: -384.699162 where: bonds (distance) C4'-P energy: -81.864 bonds (distance) P-C4' energy: -70.986 flat angles C4'-P-C4' energy: -91.795 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -72.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -880.919184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.919184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.919184 (E_RNA) where: Base-Base interactions energy: -528.295 where: short stacking energy: -253.720 Base-Backbone interact. energy: 0.078 local terms energy: -352.702714 where: bonds (distance) C4'-P energy: -93.368 bonds (distance) P-C4' energy: -67.483 flat angles C4'-P-C4' energy: -90.023 flat angles P-C4'-P energy: -58.709 tors. eta vs tors. theta energy: -43.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -513.549067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.549067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.549067 (E_RNA) where: Base-Base interactions energy: -213.058 where: short stacking energy: -128.074 Base-Backbone interact. energy: -0.249 local terms energy: -300.241704 where: bonds (distance) C4'-P energy: -82.070 bonds (distance) P-C4' energy: -98.775 flat angles C4'-P-C4' energy: -77.044 flat angles P-C4'-P energy: -53.010 tors. eta vs tors. theta energy: 10.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1898.369660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.369660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.369660 (E_RNA) where: Base-Base interactions energy: -1300.820 where: short stacking energy: -568.469 Base-Backbone interact. energy: -4.751 local terms energy: -592.798202 where: bonds (distance) C4'-P energy: -106.822 bonds (distance) P-C4' energy: -108.565 flat angles C4'-P-C4' energy: -121.836 flat angles P-C4'-P energy: -83.380 tors. eta vs tors. theta energy: -172.196 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: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1854.265138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.265138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.265138 (E_RNA) where: Base-Base interactions energy: -1277.691 where: short stacking energy: -549.559 Base-Backbone interact. energy: -1.523 local terms energy: -575.050240 where: bonds (distance) C4'-P energy: -95.798 bonds (distance) P-C4' energy: -111.316 flat angles C4'-P-C4' energy: -121.595 flat angles P-C4'-P energy: -88.869 tors. eta vs tors. theta energy: -157.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1777.903020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.903020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.903020 (E_RNA) where: Base-Base interactions energy: -1230.701 where: short stacking energy: -550.460 Base-Backbone interact. energy: -1.580 local terms energy: -545.621778 where: bonds (distance) C4'-P energy: -99.062 bonds (distance) P-C4' energy: -93.487 flat angles C4'-P-C4' energy: -104.544 flat angles P-C4'-P energy: -77.379 tors. eta vs tors. theta energy: -171.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1676.054780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.054780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.054780 (E_RNA) where: Base-Base interactions energy: -1145.155 where: short stacking energy: -499.301 Base-Backbone interact. energy: -0.615 local terms energy: -530.284602 where: bonds (distance) C4'-P energy: -100.563 bonds (distance) P-C4' energy: -96.152 flat angles C4'-P-C4' energy: -109.279 flat angles P-C4'-P energy: -77.879 tors. eta vs tors. theta energy: -146.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1656.644889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.644889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.644889 (E_RNA) where: Base-Base interactions energy: -1145.411 where: short stacking energy: -485.549 Base-Backbone interact. energy: -0.650 local terms energy: -510.583638 where: bonds (distance) C4'-P energy: -105.421 bonds (distance) P-C4' energy: -93.101 flat angles C4'-P-C4' energy: -93.636 flat angles P-C4'-P energy: -75.191 tors. eta vs tors. theta energy: -143.235 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: 6 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1511.264548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.264548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.264548 (E_RNA) where: Base-Base interactions energy: -1019.946 where: short stacking energy: -449.878 Base-Backbone interact. energy: -3.736 local terms energy: -487.583129 where: bonds (distance) C4'-P energy: -85.338 bonds (distance) P-C4' energy: -97.088 flat angles C4'-P-C4' energy: -107.598 flat angles P-C4'-P energy: -79.728 tors. eta vs tors. theta energy: -117.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1478.581893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.581893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.581893 (E_RNA) where: Base-Base interactions energy: -1018.479 where: short stacking energy: -428.296 Base-Backbone interact. energy: -0.129 local terms energy: -459.973839 where: bonds (distance) C4'-P energy: -86.429 bonds (distance) P-C4' energy: -100.627 flat angles C4'-P-C4' energy: -92.970 flat angles P-C4'-P energy: -62.405 tors. eta vs tors. theta energy: -117.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1229.528595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.528595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.528595 (E_RNA) where: Base-Base interactions energy: -812.822 where: short stacking energy: -344.329 Base-Backbone interact. energy: -2.308 local terms energy: -414.398178 where: bonds (distance) C4'-P energy: -90.673 bonds (distance) P-C4' energy: -103.300 flat angles C4'-P-C4' energy: -84.768 flat angles P-C4'-P energy: -67.946 tors. eta vs tors. theta energy: -67.712 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: 491 Temperature: 1.300000 Total energy: -881.729146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.729146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.729146 (E_RNA) where: Base-Base interactions energy: -556.839 where: short stacking energy: -279.252 Base-Backbone interact. energy: 2.544 local terms energy: -327.433462 where: bonds (distance) C4'-P energy: -87.454 bonds (distance) P-C4' energy: -99.995 flat angles C4'-P-C4' energy: -50.308 flat angles P-C4'-P energy: -48.398 tors. eta vs tors. theta energy: -41.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -489.501850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.501850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.501850 (E_RNA) where: Base-Base interactions energy: -204.450 where: short stacking energy: -116.823 Base-Backbone interact. energy: -1.987 local terms energy: -283.065320 where: bonds (distance) C4'-P energy: -84.806 bonds (distance) P-C4' energy: -87.954 flat angles C4'-P-C4' energy: -67.110 flat angles P-C4'-P energy: -49.242 tors. eta vs tors. theta energy: 6.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1941.323523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.323523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.323523 (E_RNA) where: Base-Base interactions energy: -1331.830 where: short stacking energy: -586.457 Base-Backbone interact. energy: -1.975 local terms energy: -607.517793 where: bonds (distance) C4'-P energy: -103.465 bonds (distance) P-C4' energy: -116.790 flat angles C4'-P-C4' energy: -127.612 flat angles P-C4'-P energy: -89.415 tors. eta vs tors. theta energy: -170.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1860.301475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.301475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.301475 (E_RNA) where: Base-Base interactions energy: -1270.470 where: short stacking energy: -552.382 Base-Backbone interact. energy: -3.399 local terms energy: -586.432981 where: bonds (distance) C4'-P energy: -111.484 bonds (distance) P-C4' energy: -104.860 flat angles C4'-P-C4' energy: -128.001 flat angles P-C4'-P energy: -71.089 tors. eta vs tors. theta energy: -171.000 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: 10 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1765.510630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.510630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.510630 (E_RNA) where: Base-Base interactions energy: -1238.322 where: short stacking energy: -533.874 Base-Backbone interact. energy: -0.971 local terms energy: -526.216644 where: bonds (distance) C4'-P energy: -88.660 bonds (distance) P-C4' energy: -101.669 flat angles C4'-P-C4' energy: -118.100 flat angles P-C4'-P energy: -60.609 tors. eta vs tors. theta energy: -157.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1673.318676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.318676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.318676 (E_RNA) where: Base-Base interactions energy: -1143.050 where: short stacking energy: -518.477 Base-Backbone interact. energy: -1.423 local terms energy: -528.845707 where: bonds (distance) C4'-P energy: -94.188 bonds (distance) P-C4' energy: -92.217 flat angles C4'-P-C4' energy: -120.480 flat angles P-C4'-P energy: -80.351 tors. eta vs tors. theta energy: -141.610 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: 3 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1667.451027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.451027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.451027 (E_RNA) where: Base-Base interactions energy: -1150.838 where: short stacking energy: -479.311 Base-Backbone interact. energy: 0.411 local terms energy: -517.023770 where: bonds (distance) C4'-P energy: -97.594 bonds (distance) P-C4' energy: -103.233 flat angles C4'-P-C4' energy: -106.673 flat angles P-C4'-P energy: -74.569 tors. eta vs tors. theta energy: -134.953 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: 6, replica: 6 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1501.742166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.742166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.742166 (E_RNA) where: Base-Base interactions energy: -999.743 where: short stacking energy: -433.223 Base-Backbone interact. energy: -0.360 local terms energy: -501.639560 where: bonds (distance) C4'-P energy: -93.777 bonds (distance) P-C4' energy: -101.137 flat angles C4'-P-C4' energy: -120.243 flat angles P-C4'-P energy: -70.535 tors. eta vs tors. theta energy: -115.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1471.955965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.955965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.955965 (E_RNA) where: Base-Base interactions energy: -1004.889 where: short stacking energy: -419.099 Base-Backbone interact. energy: -1.422 local terms energy: -465.644761 where: bonds (distance) C4'-P energy: -88.874 bonds (distance) P-C4' energy: -101.115 flat angles C4'-P-C4' energy: -104.757 flat angles P-C4'-P energy: -63.874 tors. eta vs tors. theta energy: -107.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1183.500997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.500997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.500997 (E_RNA) where: Base-Base interactions energy: -770.990 where: short stacking energy: -344.958 Base-Backbone interact. energy: -1.546 local terms energy: -410.965552 where: bonds (distance) C4'-P energy: -81.288 bonds (distance) P-C4' energy: -105.339 flat angles C4'-P-C4' energy: -100.456 flat angles P-C4'-P energy: -51.330 tors. eta vs tors. theta energy: -72.553 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: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -848.662634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.662634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.662634 (E_RNA) where: Base-Base interactions energy: -508.244 where: short stacking energy: -232.875 Base-Backbone interact. energy: 1.909 local terms energy: -342.327351 where: bonds (distance) C4'-P energy: -89.680 bonds (distance) P-C4' energy: -97.837 flat angles C4'-P-C4' energy: -75.240 flat angles P-C4'-P energy: -54.259 tors. eta vs tors. theta energy: -25.312 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: 8 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -516.078689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.078689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.078689 (E_RNA) where: Base-Base interactions energy: -224.837 where: short stacking energy: -118.598 Base-Backbone interact. energy: 0.147 local terms energy: -291.388013 where: bonds (distance) C4'-P energy: -82.728 bonds (distance) P-C4' energy: -89.333 flat angles C4'-P-C4' energy: -73.627 flat angles P-C4'-P energy: -51.621 tors. eta vs tors. theta energy: 5.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1914.527491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.527491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.527491 (E_RNA) where: Base-Base interactions energy: -1331.492 where: short stacking energy: -578.903 Base-Backbone interact. energy: -3.996 local terms energy: -579.039909 where: bonds (distance) C4'-P energy: -94.525 bonds (distance) P-C4' energy: -96.385 flat angles C4'-P-C4' energy: -128.376 flat angles P-C4'-P energy: -89.181 tors. eta vs tors. theta energy: -170.574 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: 493 Temperature: 0.950000 Total energy: -1826.013805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.013805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.013805 (E_RNA) where: Base-Base interactions energy: -1248.204 where: short stacking energy: -532.923 Base-Backbone interact. energy: -2.267 local terms energy: -575.542420 where: bonds (distance) C4'-P energy: -101.821 bonds (distance) P-C4' energy: -104.289 flat angles C4'-P-C4' energy: -120.952 flat angles P-C4'-P energy: -84.480 tors. eta vs tors. theta energy: -164.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1772.070162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.070162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.070162 (E_RNA) where: Base-Base interactions energy: -1216.882 where: short stacking energy: -551.878 Base-Backbone interact. energy: -1.236 local terms energy: -553.952244 where: bonds (distance) C4'-P energy: -109.314 bonds (distance) P-C4' energy: -96.051 flat angles C4'-P-C4' energy: -113.113 flat angles P-C4'-P energy: -72.481 tors. eta vs tors. theta energy: -162.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1672.151783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.151783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.151783 (E_RNA) where: Base-Base interactions energy: -1144.889 where: short stacking energy: -498.698 Base-Backbone interact. energy: -1.433 local terms energy: -525.829210 where: bonds (distance) C4'-P energy: -93.091 bonds (distance) P-C4' energy: -102.871 flat angles C4'-P-C4' energy: -105.910 flat angles P-C4'-P energy: -72.977 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: 5, replica: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1620.564091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.564091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.564091 (E_RNA) where: Base-Base interactions energy: -1115.788 where: short stacking energy: -450.987 Base-Backbone interact. energy: -0.609 local terms energy: -504.167218 where: bonds (distance) C4'-P energy: -84.136 bonds (distance) P-C4' energy: -104.682 flat angles C4'-P-C4' energy: -104.433 flat angles P-C4'-P energy: -80.469 tors. eta vs tors. theta energy: -130.447 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: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1585.134637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.134637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.134637 (E_RNA) where: Base-Base interactions energy: -1084.491 where: short stacking energy: -470.108 Base-Backbone interact. energy: -0.023 local terms energy: -500.620542 where: bonds (distance) C4'-P energy: -92.859 bonds (distance) P-C4' energy: -102.257 flat angles C4'-P-C4' energy: -101.927 flat angles P-C4'-P energy: -76.176 tors. eta vs tors. theta energy: -127.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1474.806123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.806123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.806123 (E_RNA) where: Base-Base interactions energy: -996.685 where: short stacking energy: -440.973 Base-Backbone interact. energy: -2.126 local terms energy: -475.994372 where: bonds (distance) C4'-P energy: -87.554 bonds (distance) P-C4' energy: -101.870 flat angles C4'-P-C4' energy: -98.406 flat angles P-C4'-P energy: -61.709 tors. eta vs tors. theta energy: -126.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1160.430270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.430270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.430270 (E_RNA) where: Base-Base interactions energy: -754.186 where: short stacking energy: -333.459 Base-Backbone interact. energy: -1.712 local terms energy: -404.531967 where: bonds (distance) C4'-P energy: -83.780 bonds (distance) P-C4' energy: -87.060 flat angles C4'-P-C4' energy: -96.765 flat angles P-C4'-P energy: -66.981 tors. eta vs tors. theta energy: -69.946 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: 493 Temperature: 1.300000 Total energy: -897.799270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.799270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.799270 (E_RNA) where: Base-Base interactions energy: -553.210 where: short stacking energy: -251.012 Base-Backbone interact. energy: 8.592 local terms energy: -353.181675 where: bonds (distance) C4'-P energy: -77.581 bonds (distance) P-C4' energy: -86.059 flat angles C4'-P-C4' energy: -105.582 flat angles P-C4'-P energy: -46.499 tors. eta vs tors. theta energy: -37.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -471.903377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.903377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.903377 (E_RNA) where: Base-Base interactions energy: -162.669 where: short stacking energy: -104.012 Base-Backbone interact. energy: 1.542 local terms energy: -310.775981 where: bonds (distance) C4'-P energy: -92.968 bonds (distance) P-C4' energy: -93.419 flat angles C4'-P-C4' energy: -90.164 flat angles P-C4'-P energy: -53.068 tors. eta vs tors. theta energy: 18.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1927.084947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.084947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.084947 (E_RNA) where: Base-Base interactions energy: -1312.667 where: short stacking energy: -555.027 Base-Backbone interact. energy: -3.651 local terms energy: -610.767498 where: bonds (distance) C4'-P energy: -113.720 bonds (distance) P-C4' energy: -106.775 flat angles C4'-P-C4' energy: -127.202 flat angles P-C4'-P energy: -89.286 tors. eta vs tors. theta energy: -173.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1846.404621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.404621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.404621 (E_RNA) where: Base-Base interactions energy: -1293.376 where: short stacking energy: -548.250 Base-Backbone interact. energy: -0.099 local terms energy: -552.929487 where: bonds (distance) C4'-P energy: -90.777 bonds (distance) P-C4' energy: -106.779 flat angles C4'-P-C4' energy: -128.453 flat angles P-C4'-P energy: -61.451 tors. eta vs tors. theta energy: -165.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1764.183780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.183780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.183780 (E_RNA) where: Base-Base interactions energy: -1193.412 where: short stacking energy: -527.358 Base-Backbone interact. energy: -2.916 local terms energy: -567.856030 where: bonds (distance) C4'-P energy: -99.216 bonds (distance) P-C4' energy: -100.270 flat angles C4'-P-C4' energy: -129.548 flat angles P-C4'-P energy: -79.003 tors. eta vs tors. theta energy: -159.819 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: 10 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1730.868734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.868734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.868734 (E_RNA) where: Base-Base interactions energy: -1193.069 where: short stacking energy: -505.470 Base-Backbone interact. energy: -1.579 local terms energy: -536.220994 where: bonds (distance) C4'-P energy: -112.726 bonds (distance) P-C4' energy: -95.531 flat angles C4'-P-C4' energy: -113.980 flat angles P-C4'-P energy: -62.673 tors. eta vs tors. theta energy: -151.311 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: 5, replica: 3 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1650.701841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.701841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.701841 (E_RNA) where: Base-Base interactions energy: -1115.539 where: short stacking energy: -477.884 Base-Backbone interact. energy: -0.833 local terms energy: -534.329402 where: bonds (distance) C4'-P energy: -109.978 bonds (distance) P-C4' energy: -104.776 flat angles C4'-P-C4' energy: -104.791 flat angles P-C4'-P energy: -68.599 tors. eta vs tors. theta energy: -146.186 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: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1574.546327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.546327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.546327 (E_RNA) where: Base-Base interactions energy: -1072.756 where: short stacking energy: -442.892 Base-Backbone interact. energy: -2.150 local terms energy: -499.640305 where: bonds (distance) C4'-P energy: -85.867 bonds (distance) P-C4' energy: -101.988 flat angles C4'-P-C4' energy: -109.400 flat angles P-C4'-P energy: -72.481 tors. eta vs tors. theta energy: -129.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1440.181321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.181321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.181321 (E_RNA) where: Base-Base interactions energy: -987.378 where: short stacking energy: -418.007 Base-Backbone interact. energy: -2.051 local terms energy: -450.751999 where: bonds (distance) C4'-P energy: -72.964 bonds (distance) P-C4' energy: -83.774 flat angles C4'-P-C4' energy: -103.212 flat angles P-C4'-P energy: -80.362 tors. eta vs tors. theta energy: -110.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1179.025693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.025693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.025693 (E_RNA) where: Base-Base interactions energy: -775.797 where: short stacking energy: -336.652 Base-Backbone interact. energy: -3.299 local terms energy: -399.929728 where: bonds (distance) C4'-P energy: -88.336 bonds (distance) P-C4' energy: -89.258 flat angles C4'-P-C4' energy: -107.562 flat angles P-C4'-P energy: -49.061 tors. eta vs tors. theta energy: -65.713 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: 9, replica: 9 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -908.965827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.965827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.965827 (E_RNA) where: Base-Base interactions energy: -536.782 where: short stacking energy: -251.616 Base-Backbone interact. energy: -0.119 local terms energy: -372.064806 where: bonds (distance) C4'-P energy: -88.313 bonds (distance) P-C4' energy: -95.793 flat angles C4'-P-C4' energy: -105.524 flat angles P-C4'-P energy: -55.232 tors. eta vs tors. theta energy: -27.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -477.946857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.946857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.946857 (E_RNA) where: Base-Base interactions energy: -187.222 where: short stacking energy: -128.002 Base-Backbone interact. energy: 0.579 local terms energy: -291.304236 where: bonds (distance) C4'-P energy: -70.574 bonds (distance) P-C4' energy: -101.287 flat angles C4'-P-C4' energy: -82.686 flat angles P-C4'-P energy: -44.683 tors. eta vs tors. theta energy: 7.926 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: 7 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1925.373464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.373464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.373464 (E_RNA) where: Base-Base interactions energy: -1335.172 where: short stacking energy: -568.481 Base-Backbone interact. energy: 0.444 local terms energy: -590.645071 where: bonds (distance) C4'-P energy: -106.267 bonds (distance) P-C4' energy: -107.913 flat angles C4'-P-C4' energy: -119.593 flat angles P-C4'-P energy: -83.748 tors. eta vs tors. theta energy: -173.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1841.214797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.214797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.214797 (E_RNA) where: Base-Base interactions energy: -1252.317 where: short stacking energy: -549.994 Base-Backbone interact. energy: -1.137 local terms energy: -587.761439 where: bonds (distance) C4'-P energy: -106.123 bonds (distance) P-C4' energy: -112.980 flat angles C4'-P-C4' energy: -118.326 flat angles P-C4'-P energy: -88.715 tors. eta vs tors. theta energy: -161.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1736.587472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.587472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.587472 (E_RNA) where: Base-Base interactions energy: -1176.376 where: short stacking energy: -524.261 Base-Backbone interact. energy: -3.570 local terms energy: -556.641326 where: bonds (distance) C4'-P energy: -87.483 bonds (distance) P-C4' energy: -105.775 flat angles C4'-P-C4' energy: -124.492 flat angles P-C4'-P energy: -84.162 tors. eta vs tors. theta energy: -154.730 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: 4, replica: 10 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1756.617412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.617412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.617412 (E_RNA) where: Base-Base interactions energy: -1202.412 where: short stacking energy: -525.188 Base-Backbone interact. energy: -0.017 local terms energy: -554.187765 where: bonds (distance) C4'-P energy: -97.239 bonds (distance) P-C4' energy: -111.944 flat angles C4'-P-C4' energy: -123.595 flat angles P-C4'-P energy: -67.858 tors. eta vs tors. theta energy: -153.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1631.699510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.699510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.699510 (E_RNA) where: Base-Base interactions energy: -1106.147 where: short stacking energy: -463.281 Base-Backbone interact. energy: -0.407 local terms energy: -525.145014 where: bonds (distance) C4'-P energy: -109.159 bonds (distance) P-C4' energy: -108.677 flat angles C4'-P-C4' energy: -106.286 flat angles P-C4'-P energy: -72.887 tors. eta vs tors. theta energy: -128.136 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: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1586.979470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.979470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.979470 (E_RNA) where: Base-Base interactions energy: -1098.565 where: short stacking energy: -468.694 Base-Backbone interact. energy: 1.259 local terms energy: -489.673766 where: bonds (distance) C4'-P energy: -85.391 bonds (distance) P-C4' energy: -107.315 flat angles C4'-P-C4' energy: -100.962 flat angles P-C4'-P energy: -62.237 tors. eta vs tors. theta energy: -133.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1490.340376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.340376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.340376 (E_RNA) where: Base-Base interactions energy: -1020.627 where: short stacking energy: -427.669 Base-Backbone interact. energy: -1.507 local terms energy: -468.205910 where: bonds (distance) C4'-P energy: -89.931 bonds (distance) P-C4' energy: -89.845 flat angles C4'-P-C4' energy: -110.292 flat angles P-C4'-P energy: -63.436 tors. eta vs tors. theta energy: -114.702 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: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1213.950371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.950371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.950371 (E_RNA) where: Base-Base interactions energy: -795.217 where: short stacking energy: -318.276 Base-Backbone interact. energy: -1.253 local terms energy: -417.480019 where: bonds (distance) C4'-P energy: -91.608 bonds (distance) P-C4' energy: -99.504 flat angles C4'-P-C4' energy: -104.009 flat angles P-C4'-P energy: -45.017 tors. eta vs tors. theta energy: -77.341 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: 9, replica: 9 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -960.249718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.249718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.249718 (E_RNA) where: Base-Base interactions energy: -578.697 where: short stacking energy: -253.867 Base-Backbone interact. energy: 0.825 local terms energy: -382.377745 where: bonds (distance) C4'-P energy: -91.103 bonds (distance) P-C4' energy: -114.300 flat angles C4'-P-C4' energy: -90.523 flat angles P-C4'-P energy: -44.795 tors. eta vs tors. theta energy: -41.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -468.235037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.235037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.235037 (E_RNA) where: Base-Base interactions energy: -200.593 where: short stacking energy: -133.737 Base-Backbone interact. energy: 6.252 local terms energy: -273.894197 where: bonds (distance) C4'-P energy: -83.654 bonds (distance) P-C4' energy: -98.369 flat angles C4'-P-C4' energy: -62.943 flat angles P-C4'-P energy: -35.703 tors. eta vs tors. theta energy: 6.775 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) out arg RESULTS//1/D1_denv2_RNAcomposer-2a080abf_01 DONE DONE DONE DONE DONE DONE